loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
472a688d97
srDFT_G2/G09/Large_core/Molecules/avtz/HOCl.out
Pierre-Francois Loos 2d8a5b1ed5 aug
2019-04-05 09:54:06 +02:00

8577 lines
575 KiB
Plaintext
Raw Blame History

Entering Gaussian System, Link 0=g09
Input=HOCl.inp
Output=HOCl.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42959/Gau-128626.inp" -scrdir="/mnt/beegfs/tmpdir/42959/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 128627.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 09 program. It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
The following legend is applicable only to US Government
contracts under FAR:
RESTRICTED RIGHTS LEGEND
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
Cite this work as:
Gaussian 09, Revision D.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
******************************************
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
5-Apr-2019
******************************************
%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 Fri Apr 5 07:37:50 2019, MaxMem= 13421772800 cpu: 1.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
O
H 1 OH
Cl 1 OCl 2 HOCl
Variables:
OH 0.96805
OCl 1.70746
HOCl 102.46612
NAtoms= 3 NQM= 3 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
IAtWgt= 16 1 35
AtmWgt= 15.9949146 1.0078250 34.9688527
NucSpn= 0 1 3
AtZEff= 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 -8.1650000
NMagM= 0.0000000 2.7928460 0.8218740
AtZNuc= 8.0000000 1.0000000 17.0000000
Leave Link 101 at Fri Apr 5 07:37:50 2019, MaxMem= 13421772800 cpu: 1.2
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 8 0 0.000000 0.000000 0.000000
2 1 0 0.000000 0.000000 0.968046
3 17 0 1.667202 0.000000 -0.368576
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3
1 O 0.000000
2 H 0.968046 0.000000
3 Cl 1.707457 2.136849 0.000000
Stoichiometry ClHO
Framework group CS[SG(ClHO)]
Deg. of freedom 3
Full point group CS NOp 2
Largest Abelian subgroup CS NOp 2
Largest concise Abelian subgroup C1 NOp 1
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 8 0 0.036355 1.108377 0.000000
2 1 0 -0.908869 1.317342 0.000000
3 17 0 0.036355 -0.599080 0.000000
---------------------------------------------------------------------
Rotational constants (GHZ): 606.9511164 14.8946179 14.5378580
Leave Link 202 at Fri Apr 5 07:37:50 2019, MaxMem= 13421772800 cpu: 0.2
(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 105 were deleted.
AO basis set (Overlap normalization):
Atom O1 Shell 1 S 7 bf 1 - 1 0.068700529445 2.094529639633 0.000000000000
0.1533000000D+05 0.5198089434D-03
0.2299000000D+04 0.4020256215D-02
0.5224000000D+03 0.2071282673D-01
0.1473000000D+03 0.8101055358D-01
0.4755000000D+02 0.2359629851D+00
0.1676000000D+02 0.4426534455D+00
0.6207000000D+01 0.3570644227D+00
Atom O1 Shell 2 S 6 bf 2 - 2 0.068700529445 2.094529639633 0.000000000000
0.5224000000D+03 -0.4421150084D-04
0.1473000000D+03 -0.1225910413D-02
0.4755000000D+02 -0.1055177248D-01
0.1676000000D+02 -0.6744526326D-01
0.6207000000D+01 -0.1711986073D+00
0.6882000000D+00 0.1073298561D+01
Atom O1 Shell 3 S 1 bf 3 - 3 0.068700529445 2.094529639633 0.000000000000
0.1752000000D+01 0.1000000000D+01
Atom O1 Shell 4 S 1 bf 4 - 4 0.068700529445 2.094529639633 0.000000000000
0.2384000000D+00 0.1000000000D+01
Atom O1 Shell 5 S 1 bf 5 - 5 0.068700529445 2.094529639633 0.000000000000
0.7376000000D-01 0.1000000000D+01
Atom O1 Shell 6 P 3 bf 6 - 8 0.068700529445 2.094529639633 0.000000000000
0.3446000000D+02 0.4116348957D-01
0.7749000000D+01 0.2577628359D+00
0.2280000000D+01 0.8024192744D+00
Atom O1 Shell 7 P 1 bf 9 - 11 0.068700529445 2.094529639633 0.000000000000
0.7156000000D+00 0.1000000000D+01
Atom O1 Shell 8 P 1 bf 12 - 14 0.068700529445 2.094529639633 0.000000000000
0.2140000000D+00 0.1000000000D+01
Atom O1 Shell 9 P 1 bf 15 - 17 0.068700529445 2.094529639633 0.000000000000
0.5974000000D-01 0.1000000000D+01
Atom O1 Shell 10 D 1 bf 18 - 22 0.068700529445 2.094529639633 0.000000000000
0.2314000000D+01 0.1000000000D+01
Atom O1 Shell 11 D 1 bf 23 - 27 0.068700529445 2.094529639633 0.000000000000
0.6450000000D+00 0.1000000000D+01
Atom O1 Shell 12 D 1 bf 28 - 32 0.068700529445 2.094529639633 0.000000000000
0.2140000000D+00 0.1000000000D+01
Atom O1 Shell 13 F 1 bf 33 - 39 0.068700529445 2.094529639633 0.000000000000
0.1428000000D+01 0.1000000000D+01
Atom O1 Shell 14 F 1 bf 40 - 46 0.068700529445 2.094529639633 0.000000000000
0.5000000000D+00 0.1000000000D+01
Atom H2 Shell 15 S 3 bf 47 - 47 -1.717513236135 2.489415791853 0.000000000000
0.3387000000D+02 0.2549486323D-01
0.5095000000D+01 0.1903627659D+00
0.1159000000D+01 0.8521620222D+00
Atom H2 Shell 16 S 1 bf 48 - 48 -1.717513236135 2.489415791853 0.000000000000
0.3258000000D+00 0.1000000000D+01
Atom H2 Shell 17 S 1 bf 49 - 49 -1.717513236135 2.489415791853 0.000000000000
0.1027000000D+00 0.1000000000D+01
Atom H2 Shell 18 S 1 bf 50 - 50 -1.717513236135 2.489415791853 0.000000000000
0.2526000000D-01 0.1000000000D+01
Atom H2 Shell 19 P 1 bf 51 - 53 -1.717513236135 2.489415791853 0.000000000000
0.1407000000D+01 0.1000000000D+01
Atom H2 Shell 20 P 1 bf 54 - 56 -1.717513236135 2.489415791853 0.000000000000
0.3880000000D+00 0.1000000000D+01
Atom H2 Shell 21 P 1 bf 57 - 59 -1.717513236135 2.489415791853 0.000000000000
0.1020000000D+00 0.1000000000D+01
Atom H2 Shell 22 D 1 bf 60 - 64 -1.717513236135 2.489415791853 0.000000000000
0.1057000000D+01 0.1000000000D+01
Atom H2 Shell 23 D 1 bf 65 - 69 -1.717513236135 2.489415791853 0.000000000000
0.2470000000D+00 0.1000000000D+01
Atom Cl3 Shell 24 S 11 bf 70 - 70 0.068700529445 -1.132097229936 0.000000000000
0.4561000000D+06 0.4932294768D-04
0.6833000000D+05 0.3832079673D-03
0.1555000000D+05 0.2009478156D-02
0.4405000000D+04 0.8389501239D-02
0.1439000000D+04 0.2948439505D-01
0.5204000000D+03 0.8787599479D-01
0.2031000000D+03 0.2115897588D+00
0.8396000000D+02 0.3656115543D+00
0.3620000000D+02 0.3412463497D+00
0.1583000000D+02 0.1021625703D+00
0.6334000000D+01 0.2142499488D-02
Atom Cl3 Shell 25 S 9 bf 71 - 71 0.068700529445 -1.132097229936 0.000000000000
0.4405000000D+04 -0.2217479249D-05
0.1439000000D+04 -0.1711897081D-03
0.5204000000D+03 -0.1279228461D-02
0.2031000000D+03 -0.9329562653D-02
0.8396000000D+02 -0.3989100624D-01
0.3620000000D+02 -0.1055360847D+00
0.1583000000D+02 0.9362024461D-02
0.6334000000D+01 0.5105111402D+00
0.2694000000D+01 0.5731507365D+00
Atom Cl3 Shell 26 S 8 bf 72 - 72 0.068700529445 -1.132097229936 0.000000000000
0.1439000000D+04 0.4039492452D-05
0.2031000000D+03 0.2124817652D-03
0.8396000000D+02 0.8594844525D-03
0.3620000000D+02 0.4632481592D-02
0.1583000000D+02 0.4473434898D-03
0.6334000000D+01 -0.7384382448D-01
0.2694000000D+01 -0.3622719942D+00
0.4313000000D+00 0.1166203372D+01
Atom Cl3 Shell 27 S 1 bf 73 - 73 0.068700529445 -1.132097229936 0.000000000000
0.9768000000D+00 0.1000000000D+01
Atom Cl3 Shell 28 S 1 bf 74 - 74 0.068700529445 -1.132097229936 0.000000000000
0.1625000000D+00 0.1000000000D+01
Atom Cl3 Shell 29 S 1 bf 75 - 75 0.068700529445 -1.132097229936 0.000000000000
0.5910000000D-01 0.1000000000D+01
Atom Cl3 Shell 30 P 6 bf 76 - 78 0.068700529445 -1.132097229936 0.000000000000
0.6633000000D+03 0.2472064025D-02
0.1568000000D+03 0.1975502338D-01
0.4998000000D+02 0.9099173548D-01
0.1842000000D+02 0.2631878341D+00
0.7240000000D+01 0.4490780732D+00
0.2922000000D+01 0.3601830723D+00
Atom Cl3 Shell 31 P 6 bf 79 - 81 0.068700529445 -1.132097229936 0.000000000000
0.1568000000D+03 0.3034278089D-04
0.4998000000D+02 -0.1224758259D-02
0.1842000000D+02 -0.6014297716D-02
0.7240000000D+01 -0.2764013227D-01
0.2922000000D+01 0.4351056122D-03
0.3818000000D+00 0.1003072725D+01
Atom Cl3 Shell 32 P 1 bf 82 - 84 0.068700529445 -1.132097229936 0.000000000000
0.1022000000D+01 0.1000000000D+01
Atom Cl3 Shell 33 P 1 bf 85 - 87 0.068700529445 -1.132097229936 0.000000000000
0.1301000000D+00 0.1000000000D+01
Atom Cl3 Shell 34 P 1 bf 88 - 90 0.068700529445 -1.132097229936 0.000000000000
0.4190000000D-01 0.1000000000D+01
Atom Cl3 Shell 35 D 1 bf 91 - 95 0.068700529445 -1.132097229936 0.000000000000
0.1046000000D+01 0.1000000000D+01
Atom Cl3 Shell 36 D 1 bf 96 - 100 0.068700529445 -1.132097229936 0.000000000000
0.3440000000D+00 0.1000000000D+01
Atom Cl3 Shell 37 D 1 bf 101 - 105 0.068700529445 -1.132097229936 0.000000000000
0.1350000000D+00 0.1000000000D+01
Atom Cl3 Shell 38 F 1 bf 106 - 112 0.068700529445 -1.132097229936 0.000000000000
0.7060000000D+00 0.1000000000D+01
Atom Cl3 Shell 39 F 1 bf 113 - 119 0.068700529445 -1.132097229936 0.000000000000
0.3120000000D+00 0.1000000000D+01
There are 95 symmetry adapted cartesian basis functions of A' symmetry.
There are 44 symmetry adapted cartesian basis functions of A" symmetry.
There are 79 symmetry adapted basis functions of A' symmetry.
There are 40 symmetry adapted basis functions of A" symmetry.
119 basis functions, 213 primitive gaussians, 139 cartesian basis functions
13 alpha electrons 13 beta electrons
nuclear repulsion energy 50.7323796550 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= 3 NActive= 3 NUniq= 3 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
Leave Link 301 at Fri Apr 5 07:37:50 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.
NBasis= 119 RedAO= T EigKep= 4.83D-04 NBF= 79 40
NBsUse= 119 1.00D-06 EigRej= -1.00D+00 NBFU= 79 40
Leave Link 302 at Fri Apr 5 07:37:50 2019, MaxMem= 13421772800 cpu: 4.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Fri Apr 5 07:37:50 2019, MaxMem= 13421772800 cpu: 0.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 2.53D-02 ExpMax= 4.56D+05 ExpMxC= 1.44D+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= -534.526618427458
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')
The electronic state of the initial guess is 1-A'.
Leave Link 401 at Fri Apr 5 07:37:51 2019, MaxMem= 13421772800 cpu: 5.6
(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=38846546.
IVT= 80890 IEndB= 80890 NGot= 13421772800 MDV= 13395842944
LenX= 13395842944 LenY= 13395823182
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= 7140 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Cycle 1 Pass 1 IDiag 1:
E= -534.844212076579
DIIS: error= 3.27D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -534.844212076579 IErMin= 1 ErrMin= 3.27D-02
ErrMax= 3.27D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-01 BMatP= 2.81D-01
IDIUse=3 WtCom= 6.73D-01 WtEn= 3.27D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.549 Goal= None Shift= 0.000
GapD= 0.549 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
RMSDP=2.11D-03 MaxDP=7.06D-02 OVMax= 1.04D-01
Cycle 2 Pass 1 IDiag 1:
E= -534.894905189173 Delta-E= -0.050693112595 Rises=F Damp=F
DIIS: error= 2.45D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -534.894905189173 IErMin= 2 ErrMin= 2.45D-02
ErrMax= 2.45D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-02 BMatP= 2.81D-01
IDIUse=3 WtCom= 7.55D-01 WtEn= 2.45D-01
Coeff-Com: 0.198D+00 0.802D+00
Coeff-En: 0.256D-01 0.974D+00
Coeff: 0.156D+00 0.844D+00
Gap= 0.544 Goal= None Shift= 0.000
RMSDP=1.17D-03 MaxDP=3.85D-02 DE=-5.07D-02 OVMax= 7.34D-02
Cycle 3 Pass 1 IDiag 1:
E= -534.914272180601 Delta-E= -0.019366991428 Rises=F Damp=F
DIIS: error= 9.85D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -534.914272180601 IErMin= 3 ErrMin= 9.85D-03
ErrMax= 9.85D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-02 BMatP= 3.96D-02
IDIUse=3 WtCom= 9.02D-01 WtEn= 9.85D-02
Coeff-Com: -0.195D-01 0.327D+00 0.693D+00
Coeff-En: 0.000D+00 0.123D+00 0.877D+00
Coeff: -0.176D-01 0.307D+00 0.711D+00
Gap= 0.480 Goal= None Shift= 0.000
RMSDP=4.23D-04 MaxDP=1.23D-02 DE=-1.94D-02 OVMax= 3.01D-02
Cycle 4 Pass 1 IDiag 1:
E= -534.921284942749 Delta-E= -0.007012762148 Rises=F Damp=F
DIIS: error= 1.33D-03 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -534.921284942749 IErMin= 4 ErrMin= 1.33D-03
ErrMax= 1.33D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.25D-05 BMatP= 1.04D-02
IDIUse=3 WtCom= 9.87D-01 WtEn= 1.33D-02
Coeff-Com: -0.377D-02-0.265D-01 0.264D-01 0.100D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.372D-02-0.261D-01 0.260D-01 0.100D+01
Gap= 0.476 Goal= None Shift= 0.000
RMSDP=4.69D-05 MaxDP=1.17D-03 DE=-7.01D-03 OVMax= 2.85D-03
Cycle 5 Pass 1 IDiag 1:
E= -534.921370419100 Delta-E= -0.000085476351 Rises=F Damp=F
DIIS: error= 3.01D-04 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -534.921370419100 IErMin= 5 ErrMin= 3.01D-04
ErrMax= 3.01D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-06 BMatP= 8.25D-05
IDIUse=3 WtCom= 9.97D-01 WtEn= 3.01D-03
Coeff-Com: 0.197D-02-0.260D-01-0.528D-01-0.422D-01 0.112D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.196D-02-0.259D-01-0.526D-01-0.421D-01 0.112D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=2.36D-05 MaxDP=6.05D-04 DE=-8.55D-05 OVMax= 1.49D-03
Cycle 6 Pass 1 IDiag 1:
E= -534.921382072093 Delta-E= -0.000011652992 Rises=F Damp=F
DIIS: error= 1.07D-04 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -534.921382072093 IErMin= 6 ErrMin= 1.07D-04
ErrMax= 1.07D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-07 BMatP= 5.02D-06
IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
Coeff-Com: -0.251D-03 0.867D-02 0.143D-01-0.870D-01-0.276D+00 0.134D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.250D-03 0.866D-02 0.143D-01-0.869D-01-0.276D+00 0.134D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=1.08D-05 MaxDP=2.82D-04 DE=-1.17D-05 OVMax= 7.52D-04
Cycle 7 Pass 1 IDiag 1:
E= -534.921384037307 Delta-E= -0.000001965215 Rises=F Damp=F
DIIS: error= 2.12D-05 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -534.921384037307 IErMin= 7 ErrMin= 2.12D-05
ErrMax= 2.12D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-08 BMatP= 5.99D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.783D-04-0.969D-03 0.156D-03 0.385D-01-0.377D-01-0.409D+00
Coeff-Com: 0.141D+01
Coeff: -0.783D-04-0.969D-03 0.156D-03 0.385D-01-0.377D-01-0.409D+00
Coeff: 0.141D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=4.07D-06 MaxDP=1.01D-04 DE=-1.97D-06 OVMax= 2.81D-04
Cycle 8 Pass 1 IDiag 1:
E= -534.921384242241 Delta-E= -0.000000204933 Rises=F Damp=F
DIIS: error= 7.86D-06 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -534.921384242241 IErMin= 8 ErrMin= 7.86D-06
ErrMax= 7.86D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-09 BMatP= 5.04D-08
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.119D-04-0.354D-03-0.553D-03 0.360D-03 0.193D-01-0.172D-01
Coeff-Com: -0.214D+00 0.121D+01
Coeff: 0.119D-04-0.354D-03-0.553D-03 0.360D-03 0.193D-01-0.172D-01
Coeff: -0.214D+00 0.121D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=9.81D-07 MaxDP=2.03D-05 DE=-2.05D-07 OVMax= 8.76D-05
Cycle 9 Pass 1 IDiag 1:
E= -534.921384256102 Delta-E= -0.000000013861 Rises=F Damp=F
DIIS: error= 3.21D-06 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -534.921384256102 IErMin= 9 ErrMin= 3.21D-06
ErrMax= 3.21D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-10 BMatP= 3.35D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.133D-04 0.249D-03 0.108D-03-0.728D-02 0.185D-02 0.765D-01
Coeff-Com: -0.199D+00-0.220D+00 0.135D+01
Coeff: 0.133D-04 0.249D-03 0.108D-03-0.728D-02 0.185D-02 0.765D-01
Coeff: -0.199D+00-0.220D+00 0.135D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=5.45D-07 MaxDP=1.22D-05 DE=-1.39D-08 OVMax= 4.87D-05
Cycle 10 Pass 1 IDiag 1:
E= -534.921384258957 Delta-E= -0.000000002855 Rises=F Damp=F
DIIS: error= 1.25D-06 at cycle 10 NSaved= 10.
NSaved=10 IEnMin=10 EnMin= -534.921384258957 IErMin=10 ErrMin= 1.25D-06
ErrMax= 1.25D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.03D-11 BMatP= 6.18D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.640D-05-0.346D-04 0.268D-04 0.246D-02-0.272D-02-0.223D-01
Coeff-Com: 0.829D-01-0.436D-02-0.574D+00 0.152D+01
Coeff: -0.640D-05-0.346D-04 0.268D-04 0.246D-02-0.272D-02-0.223D-01
Coeff: 0.829D-01-0.436D-02-0.574D+00 0.152D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=2.00D-07 MaxDP=4.82D-06 DE=-2.86D-09 OVMax= 1.86D-05
Cycle 11 Pass 1 IDiag 1:
E= -534.921384259296 Delta-E= -0.000000000339 Rises=F Damp=F
DIIS: error= 3.07D-07 at cycle 11 NSaved= 11.
NSaved=11 IEnMin=11 EnMin= -534.921384259296 IErMin=11 ErrMin= 3.07D-07
ErrMax= 3.07D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-12 BMatP= 6.03D-11
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.541D-06-0.120D-04-0.168D-04-0.682D-04 0.631D-03-0.228D-03
Coeff-Com: -0.766D-02 0.296D-01 0.118D-01-0.389D+00 0.136D+01
Coeff: 0.541D-06-0.120D-04-0.168D-04-0.682D-04 0.631D-03-0.228D-03
Coeff: -0.766D-02 0.296D-01 0.118D-01-0.389D+00 0.136D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=5.66D-08 MaxDP=1.37D-06 DE=-3.39D-10 OVMax= 5.13D-06
Cycle 12 Pass 1 IDiag 1:
E= -534.921384259317 Delta-E= -0.000000000021 Rises=F Damp=F
DIIS: error= 5.63D-08 at cycle 12 NSaved= 12.
NSaved=12 IEnMin=12 EnMin= -534.921384259317 IErMin=12 ErrMin= 5.63D-08
ErrMax= 5.63D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-13 BMatP= 4.35D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.327D-06 0.467D-05-0.118D-06-0.149D-03 0.764D-04 0.146D-02
Coeff-Com: -0.380D-02-0.626D-02 0.379D-01-0.118D-01-0.357D+00 0.134D+01
Coeff: 0.327D-06 0.467D-05-0.118D-06-0.149D-03 0.764D-04 0.146D-02
Coeff: -0.380D-02-0.626D-02 0.379D-01-0.118D-01-0.357D+00 0.134D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=1.16D-08 MaxDP=2.58D-07 DE=-2.10D-11 OVMax= 9.64D-07
Cycle 13 Pass 1 IDiag 1:
E= -534.921384259318 Delta-E= 0.000000000000 Rises=F Damp=F
DIIS: error= 1.12D-08 at cycle 13 NSaved= 13.
NSaved=13 IEnMin=13 EnMin= -534.921384259318 IErMin=13 ErrMin= 1.12D-08
ErrMax= 1.12D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-14 BMatP= 2.55D-13
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.651D-07-0.887D-06 0.789D-08 0.374D-04-0.309D-04-0.343D-03
Coeff-Com: 0.118D-02 0.322D-03-0.102D-01 0.221D-01 0.230D-01-0.320D+00
Coeff-Com: 0.128D+01
Coeff: -0.651D-07-0.887D-06 0.789D-08 0.374D-04-0.309D-04-0.343D-03
Coeff: 0.118D-02 0.322D-03-0.102D-01 0.221D-01 0.230D-01-0.320D+00
Coeff: 0.128D+01
Gap= 0.475 Goal= None Shift= 0.000
RMSDP=1.98D-09 MaxDP=4.51D-08 DE=-4.55D-13 OVMax= 1.35D-07
SCF Done: E(ROHF) = -534.921384259 A.U. after 13 cycles
NFock= 13 Conv=0.20D-08 -V/T= 2.0004
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
<L.S>= 0.000000000000E+00
KE= 5.347071607583D+02 PE=-1.374604288878D+03 EE= 2.542433642058D+02
Annihilation of the first spin contaminant:
S**2 before annihilation 0.0000, after 0.0000
Leave Link 502 at Fri Apr 5 07:37:52 2019, MaxMem= 13421772800 cpu: 39.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
Windowed orbitals will be sorted by symmetry type.
GenMOA: NOpAll= 2 NOp2=2 NOpUse= 2 JSym2X=1
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
ExpMin= 2.53D-02 ExpMax= 4.56D+05 ExpMxC= 1.44D+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 4.09D-04
Largest core mixing into a valence orbital is 1.45D-04
Largest valence mixing into a core orbital is 4.09D-04
Largest core mixing into a valence orbital is 1.45D-04
Range of M.O.s used for correlation: 7 119
NBasis= 119 NAE= 13 NBE= 13 NFC= 6 NFV= 0
NROrb= 113 NOA= 7 NOB= 7 NVA= 106 NVB= 106
**** Warning!!: The largest alpha MO coefficient is 0.13974456D+02
**** Warning!!: The largest beta MO coefficient is 0.13974456D+02
Singles contribution to E2= -0.1019317863D-14
Leave Link 801 at Fri Apr 5 07:37:53 2019, MaxMem= 13421772800 cpu: 14.7
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2.
Semi-Direct transformation.
ModeAB= 2 MOrb= 7 LenV= 13421199898
LASXX= 2433159 LTotXX= 2433159 LenRXX= 2433159
LTotAB= 2514573 MaxLAS= 7696430 LenRXY= 7696430
NonZer= 7961415 LenScr= 12451840 LnRSAI= 0
LnScr1= 0 LExtra= 0 Total= 22581429
MaxDsk= -1 SrtSym= F 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= 2 MOrb= 7 LenV= 13421199898
LASXX= 2433159 LTotXX= 2433159 LenRXX= 7696430
LTotAB= 2212715 MaxLAS= 7696430 LenRXY= 2212715
NonZer= 7961415 LenScr= 12451840 LnRSAI= 0
LnScr1= 0 LExtra= 0 Total= 22360985
MaxDsk= -1 SrtSym= F 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 = 0.1737624157D-01 E2= -0.5559956655D-01
alpha-beta T2 = 0.9986032921D-01 E2= -0.3387144593D+00
beta-beta T2 = 0.1737624157D-01 E2= -0.5559956655D-01
ANorm= 0.1065182056D+01
E2 = -0.4499135924D+00 EUMP2 = -0.53537129785176D+03
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
E(PUHF)= -0.53492138426D+03 E(PMP2)= -0.53537129785D+03
Leave Link 804 at Fri Apr 5 07:38:01 2019, MaxMem= 13421772800 cpu: 189.3
(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=38767150.
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= 7140 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)= 0.27155988D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 1.1766218D-01 conv= 1.00D-05.
RLE energy= -0.4387267517
E3= -0.15683900D-01 EROMP3= -0.53538698175D+03
E4(SDQ)= -0.36092444D-02 ROMP4(SDQ)= -0.53539059100D+03
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.43844150 E(Corr)= -535.35982576
NORM(A)= 0.10610682D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 5.0219249D-01 conv= 1.00D-05.
RLE energy= -0.4428731601
DE(Corr)= -0.45398929 E(CORR)= -535.37537355 Delta=-1.55D-02
NORM(A)= 0.10623535D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 3.8041773D-01 conv= 1.00D-05.
RLE energy= -0.4548572866
DE(Corr)= -0.45721729 E(CORR)= -535.37860155 Delta=-3.23D-03
NORM(A)= 0.10672771D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 2.3077946D-01 conv= 1.00D-05.
RLE energy= -0.4691070133
DE(Corr)= -0.46134412 E(CORR)= -535.38272838 Delta=-4.13D-03
NORM(A)= 0.10756296D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 3.3148343D-02 conv= 1.00D-05.
RLE energy= -0.4671110104
DE(Corr)= -0.46846674 E(CORR)= -535.38985100 Delta=-7.12D-03
NORM(A)= 0.10745863D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.3498443D-02 conv= 1.00D-05.
RLE energy= -0.4678400938
DE(Corr)= -0.46747156 E(CORR)= -535.38885582 Delta= 9.95D-04
NORM(A)= 0.10751085D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.9430851D-03 conv= 1.00D-05.
RLE energy= -0.4678277675
DE(Corr)= -0.46783059 E(CORR)= -535.38921485 Delta=-3.59D-04
NORM(A)= 0.10751217D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 8.5106159D-04 conv= 1.00D-05.
RLE energy= -0.4678319277
DE(Corr)= -0.46783545 E(CORR)= -535.38921971 Delta=-4.86D-06
NORM(A)= 0.10751224D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 4.0526962D-04 conv= 1.00D-05.
RLE energy= -0.4678309666
DE(Corr)= -0.46782936 E(CORR)= -535.38921362 Delta= 6.09D-06
NORM(A)= 0.10751230D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.7169694D-04 conv= 1.00D-05.
RLE energy= -0.4678311544
DE(Corr)= -0.46783064 E(CORR)= -535.38921489 Delta=-1.28D-06
NORM(A)= 0.10751236D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.0747202D-04 conv= 1.00D-05.
RLE energy= -0.4678310951
DE(Corr)= -0.46783072 E(CORR)= -535.38921498 Delta=-8.92D-08
NORM(A)= 0.10751240D+01
Iteration Nr. 12
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 5.5591149D-05 conv= 1.00D-05.
RLE energy= -0.4678312245
DE(Corr)= -0.46783117 E(CORR)= -535.38921542 Delta=-4.41D-07
NORM(A)= 0.10751243D+01
Iteration Nr. 13
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 2.4433115D-05 conv= 1.00D-05.
RLE energy= -0.4678312954
DE(Corr)= -0.46783122 E(CORR)= -535.38921548 Delta=-5.73D-08
NORM(A)= 0.10751245D+01
Iteration Nr. 14
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.0158642D-05 conv= 1.00D-05.
RLE energy= -0.4678312654
DE(Corr)= -0.46783126 E(CORR)= -535.38921552 Delta=-3.63D-08
NORM(A)= 0.10751245D+01
Iteration Nr. 15
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 5.0038683D-06 conv= 1.00D-05.
RLE energy= -0.4678312838
DE(Corr)= -0.46783128 E(CORR)= -535.38921554 Delta=-1.97D-08
NORM(A)= 0.10751245D+01
CI/CC converged in 15 iterations to DelEn=-1.97D-08 Conv= 1.00D-07 ErrA1= 5.00D-06 Conv= 1.00D-05
Largest amplitude= 3.05D-02
Time for triples= 8264.89 seconds.
T4(CCSD)= -0.20427771D-01
T5(CCSD)= 0.57308941D-03
CCSD(T)= -0.53540907022D+03
Discarding MO integrals.
Leave Link 913 at Fri Apr 5 07:45:25 2019, MaxMem= 13421772800 cpu: 10280.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A") (A') (A') (A') (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')
The electronic state is 1-A'.
Alpha occ. eigenvalues -- -104.89342 -20.64634 -10.61245 -8.07959 -8.07655
Alpha occ. eigenvalues -- -8.07641 -1.40879 -1.06291 -0.71912 -0.61175
Alpha occ. eigenvalues -- -0.60065 -0.47034 -0.44687
Alpha virt. eigenvalues -- 0.02846 0.05993 0.10997 0.11604 0.13842
Alpha virt. eigenvalues -- 0.15773 0.17314 0.17548 0.18842 0.24313
Alpha virt. eigenvalues -- 0.25856 0.31010 0.32272 0.38845 0.39376
Alpha virt. eigenvalues -- 0.42099 0.42369 0.44903 0.49957 0.60729
Alpha virt. eigenvalues -- 0.61763 0.68968 0.70906 0.71177 0.72908
Alpha virt. eigenvalues -- 0.77627 0.79651 0.88764 0.90060 0.91098
Alpha virt. eigenvalues -- 0.91387 0.92858 0.93077 0.94941 0.97099
Alpha virt. eigenvalues -- 1.00560 1.00764 1.04228 1.12583 1.14902
Alpha virt. eigenvalues -- 1.22040 1.23374 1.30831 1.34344 1.41096
Alpha virt. eigenvalues -- 1.41698 1.51113 1.53490 1.56194 1.68501
Alpha virt. eigenvalues -- 1.77893 1.90436 2.09100 2.20146 2.26120
Alpha virt. eigenvalues -- 2.28872 2.33778 2.37673 2.38244 2.44084
Alpha virt. eigenvalues -- 2.48044 2.50667 2.53057 2.54683 2.55287
Alpha virt. eigenvalues -- 2.59660 2.61678 2.74694 2.77491 2.92171
Alpha virt. eigenvalues -- 2.99207 3.01486 3.05670 3.07291 3.12950
Alpha virt. eigenvalues -- 3.13528 3.30442 3.34630 3.35786 3.69649
Alpha virt. eigenvalues -- 3.73606 4.12312 4.16444 4.33713 4.34576
Alpha virt. eigenvalues -- 4.51333 4.71010 4.79324 5.18812 5.29625
Alpha virt. eigenvalues -- 5.52496 6.13850 6.29528 6.64651 6.72262
Alpha virt. eigenvalues -- 6.73553 6.76235 7.14373 7.17549 7.21556
Alpha virt. eigenvalues -- 7.24720 7.24982 7.46336 7.56154 8.20097
Alpha virt. eigenvalues -- 14.41332
Molecular Orbital Coefficients:
1 2 3 4 5
O O O O O
Eigenvalues -- -104.89342 -20.64634 -10.61245 -8.07959 -8.07655
1 1 O 1S 0.00001 0.97686 -0.00008 -0.00026 0.00003
2 2S 0.00003 -0.00903 -0.00013 -0.00095 0.00019
3 3S 0.00000 0.04334 -0.00011 -0.00018 0.00004
4 4S -0.00013 0.00202 0.00242 0.00859 -0.00232
5 5S -0.00008 0.00080 0.00180 0.00263 -0.00179
6 6PX 0.00000 -0.00159 0.00001 0.00007 0.00000
7 6PY 0.00000 -0.00125 -0.00003 -0.00003 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00148 -0.00009 -0.00036 0.00015
10 7PY 0.00001 0.00092 -0.00058 -0.00085 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX -0.00001 0.00032 0.00008 0.00152 0.00427
13 8PY 0.00016 -0.00121 -0.00279 -0.01068 -0.00146
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX -0.00001 -0.00008 0.00017 0.00056 0.00042
16 9PY 0.00003 -0.00027 -0.00083 -0.00142 0.00048
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00003 -0.00002 -0.00002 -0.00002
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 0.00013 -0.00005 -0.00004 0.00002
22 10D-2 0.00000 -0.00002 -0.00001 -0.00003 -0.00001
23 11D 0 0.00001 0.00051 -0.00022 -0.00052 0.00017
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 -0.00015 -0.00026 -0.00075 -0.00023
27 11D-2 0.00000 0.00018 0.00011 0.00024 -0.00001
28 12D 0 0.00003 -0.00027 -0.00037 -0.00112 0.00023
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 0.00006 -0.00042 -0.00072 -0.00315 -0.00158
32 12D-2 -0.00001 -0.00006 0.00037 0.00147 -0.00103
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 -0.00003 0.00000 0.00002 0.00002
35 13F-1 0.00000 -0.00002 0.00003 -0.00003 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 0.00001 -0.00002 -0.00004 0.00001
39 13F-3 0.00000 -0.00001 0.00007 0.00007 -0.00004
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 -0.00006 0.00002 -0.00006 -0.00027
42 14F-1 -0.00001 0.00004 0.00008 0.00040 0.00003
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 0.00014 -0.00003 -0.00001 -0.00018
46 14F-3 -0.00001 0.00001 -0.00013 -0.00020 0.00005
47 2 H 1S 0.00000 0.00051 -0.00002 -0.00005 -0.00002
48 2S -0.00002 0.00177 0.00017 0.00186 0.00409
49 3S -0.00001 -0.00012 0.00034 0.00340 0.00244
50 4S -0.00001 0.00010 0.00029 0.00014 -0.00002
51 5PX 0.00000 0.00026 -0.00002 -0.00001 0.00010
52 5PY 0.00000 -0.00012 0.00004 0.00005 -0.00006
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX 0.00001 0.00112 0.00002 0.00005 0.00067
55 6PY -0.00002 -0.00027 0.00049 0.00141 -0.00039
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00000 0.00019 0.00013 0.00087 0.00030
58 7PY -0.00001 0.00006 0.00024 0.00016 -0.00079
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.00002 0.00001 0.00002 -0.00006
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 -0.00008 0.00003 0.00006 0.00002
64 8D-2 0.00000 -0.00005 0.00007 0.00015 0.00005
65 9D 0 -0.00001 -0.00017 0.00007 0.00026 0.00037
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00047 0.00006 -0.00020 0.00006
69 9D-2 0.00000 -0.00021 0.00011 0.00041 0.00008
70 3 Cl 1S 0.99954 0.00001 -0.28121 0.00177 -0.00005
71 2S 0.00195 0.00010 0.97892 -0.00679 0.00021
72 3S 0.00018 0.00017 -0.00735 0.00125 0.00000
73 4S -0.00041 -0.00024 0.07937 0.00183 -0.00002
74 5S 0.00007 -0.00083 0.00012 -0.01258 -0.00130
75 6S 0.00007 -0.00073 -0.00223 -0.00253 0.00016
76 7PX 0.00000 0.00001 -0.00022 -0.01593 0.97352
77 7PY 0.00008 -0.00001 0.00530 0.97135 0.01595
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX -0.00001 0.00008 0.00011 0.00019 -0.00578
80 8PY 0.00014 0.00028 -0.00196 -0.01183 -0.00047
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00000 -0.00002 -0.00009 -0.00102 0.05698
83 9PY -0.00007 -0.00018 0.00193 0.06263 0.00099
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00001 -0.00023 -0.00006 0.00047 0.00133
86 10PY 0.00006 -0.00084 -0.00181 -0.00478 -0.00090
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00003 -0.00002 -0.00013 -0.00042
89 11PY 0.00001 -0.00009 -0.00025 -0.00059 0.00006
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00001 -0.00056 -0.00072 0.00003
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 -0.00001 0.00002 -0.00094 -0.00122 -0.00007
95 12D-2 0.00000 0.00001 -0.00003 -0.00005 0.00106
96 13D 0 -0.00003 -0.00020 0.00092 0.00202 -0.00002
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.00005 -0.00035 0.00155 0.00345 0.00023
100 13D-2 0.00000 0.00003 0.00007 0.00014 -0.00151
101 14D 0 0.00000 0.00015 0.00006 0.00078 0.00024
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 -0.00001 0.00036 0.00020 0.00150 0.00025
105 14D-2 0.00000 -0.00016 -0.00004 0.00032 -0.00015
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 -0.00001 -0.00001 0.00000 -0.00009
108 15F-1 -0.00001 -0.00014 0.00000 -0.00019 -0.00001
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 -0.00003 -0.00001 0.00003 -0.00038
112 15F-3 -0.00001 -0.00019 -0.00003 -0.00033 -0.00002
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00003 0.00002 0.00000 0.00020
115 16F-1 0.00000 -0.00009 0.00022 0.00100 0.00001
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00003 0.00001 -0.00010 0.00090
119 16F-3 -0.00001 -0.00006 0.00034 0.00138 0.00011
6 7 8 9 10
O O O O O
Eigenvalues -- -8.07641 -1.40879 -1.06291 -0.71912 -0.61175
1 1 O 1S 0.00000 -0.19090 0.07395 -0.04618 0.00000
2 2S 0.00000 0.46557 -0.18581 0.12464 0.00000
3 3S 0.00000 0.12685 -0.05415 0.03539 0.00000
4 4S 0.00000 0.29093 -0.13539 0.24924 0.00000
5 5S 0.00000 0.03808 -0.00452 0.05189 0.00000
6 6PX 0.00000 -0.03402 0.03651 0.26907 0.00000
7 6PY 0.00000 -0.01944 -0.07432 -0.06866 0.00000
8 6PZ 0.00002 0.00000 0.00000 0.00000 0.30590
9 7PX 0.00000 -0.04682 0.04643 0.32501 0.00000
10 7PY 0.00000 -0.03615 -0.09435 -0.08902 0.00000
11 7PZ 0.00005 0.00000 0.00000 0.00000 0.38986
12 8PX 0.00000 -0.01383 0.01785 0.16427 0.00000
13 8PY 0.00000 -0.01456 -0.04444 -0.06886 0.00000
14 8PZ 0.00114 0.00000 0.00000 0.00000 0.27664
15 9PX 0.00000 -0.00242 0.00408 0.01108 0.00000
16 9PY 0.00000 -0.00145 -0.00535 -0.00694 0.00000
17 9PZ 0.00014 0.00000 0.00000 0.00000 0.01983
18 10D 0 0.00000 -0.00253 -0.00042 0.00389 0.00000
19 10D+1 0.00001 0.00000 0.00000 0.00000 -0.00416
20 10D-1 0.00000 0.00000 0.00000 0.00000 -0.00326
21 10D+2 0.00000 0.00138 -0.00517 -0.00905 0.00000
22 10D-2 0.00000 -0.00067 0.00153 0.00069 0.00000
23 11D 0 0.00000 -0.00990 -0.00232 0.00189 0.00000
24 11D+1 -0.00005 0.00000 0.00000 0.00000 -0.00916
25 11D-1 -0.00018 0.00000 0.00000 0.00000 -0.01634
26 11D+2 0.00000 -0.00370 -0.01451 -0.02285 0.00000
27 11D-2 0.00000 -0.00176 0.00265 -0.00954 0.00000
28 12D 0 0.00000 -0.00078 -0.00366 -0.00762 0.00000
29 12D+1 -0.00017 0.00000 0.00000 0.00000 -0.00301
30 12D-1 -0.00093 0.00000 0.00000 0.00000 -0.01669
31 12D+2 0.00000 -0.00350 -0.00666 -0.00780 0.00000
32 12D-2 0.00000 -0.00274 -0.00095 -0.01245 0.00000
33 13F 0 0.00003 0.00000 0.00000 0.00000 -0.00353
34 13F+1 0.00000 0.00099 -0.00070 -0.00247 0.00000
35 13F-1 0.00000 0.00112 0.00122 0.00133 0.00000
36 13F+2 0.00002 0.00000 0.00000 0.00000 -0.00079
37 13F-2 -0.00002 0.00000 0.00000 0.00000 -0.00076
38 13F+3 0.00000 -0.00084 0.00023 -0.00054 0.00000
39 13F-3 0.00000 0.00206 0.00046 0.00015 0.00000
40 14F 0 -0.00029 0.00000 0.00000 0.00000 -0.00555
41 14F+1 0.00000 0.00084 -0.00048 -0.00241 0.00000
42 14F-1 0.00000 0.00192 0.00181 0.00220 0.00000
43 14F+2 -0.00022 0.00000 0.00000 0.00000 -0.00639
44 14F-2 0.00005 0.00000 0.00000 0.00000 0.00082
45 14F+3 0.00000 0.00115 0.00101 -0.00353 0.00000
46 14F-3 0.00000 0.00418 0.00192 0.00534 0.00000
47 2 H 1S 0.00000 0.08300 -0.05848 -0.14462 0.00000
48 2S 0.00000 0.07005 -0.06340 -0.26529 0.00000
49 3S 0.00000 -0.02507 0.00496 -0.04732 0.00000
50 4S 0.00000 0.00056 0.00418 0.00316 0.00000
51 5PX 0.00000 0.01244 -0.00810 -0.01426 0.00000
52 5PY 0.00000 -0.00401 -0.00025 0.00246 0.00000
53 5PZ 0.00002 0.00000 0.00000 0.00000 0.00897
54 6PX 0.00000 0.00987 -0.01065 -0.04435 0.00000
55 6PY 0.00000 -0.00872 -0.00359 0.00844 0.00000
56 6PZ -0.00025 0.00000 0.00000 0.00000 0.02667
57 7PX 0.00000 -0.00928 0.00292 0.00324 0.00000
58 7PY 0.00000 0.00134 -0.00037 -0.00303 0.00000
59 7PZ -0.00015 0.00000 0.00000 0.00000 0.01159
60 8D 0 0.00000 -0.00139 0.00113 0.00360 0.00000
61 8D+1 -0.00003 0.00000 0.00000 0.00000 0.00452
62 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00108
63 8D+2 0.00000 0.00177 -0.00264 -0.00597 0.00000
64 8D-2 0.00000 -0.00204 -0.00021 0.00144 0.00000
65 9D 0 0.00000 0.00048 0.00047 0.00175 0.00000
66 9D+1 -0.00004 0.00000 0.00000 0.00000 0.00762
67 9D-1 0.00021 0.00000 0.00000 0.00000 -0.00161
68 9D+2 0.00000 0.00009 -0.00040 -0.00152 0.00000
69 9D-2 0.00000 -0.00261 -0.00201 0.00027 0.00000
70 3 Cl 1S 0.00000 0.02700 0.07755 -0.01286 0.00000
71 2S 0.00000 -0.09735 -0.28640 0.05028 0.00000
72 3S 0.00000 0.19145 0.56776 -0.09478 0.00000
73 4S 0.00000 0.01722 0.06917 -0.01404 0.00000
74 5S 0.00000 0.08466 0.34971 -0.12684 0.00000
75 6S 0.00000 -0.01815 -0.00834 -0.04001 0.00000
76 7PX 0.00000 0.00220 -0.00153 -0.06023 0.00000
77 7PY 0.00000 -0.04117 0.00800 -0.06905 0.00000
78 7PZ 0.97370 0.00000 0.00000 0.00000 -0.12696
79 8PX 0.00000 -0.00371 0.00289 0.12454 0.00000
80 8PY 0.00000 0.07234 -0.01804 0.12763 0.00000
81 8PZ -0.00547 0.00000 0.00000 0.00000 0.26651
82 9PX 0.00000 -0.00179 0.00175 0.05752 0.00000
83 9PY 0.00000 0.03207 -0.00917 0.06493 0.00000
84 9PZ 0.05681 0.00000 0.00000 0.00000 0.12411
85 10PX 0.00000 -0.00438 -0.00430 0.04553 0.00000
86 10PY 0.00000 -0.00203 -0.01302 0.01276 0.00000
87 10PZ 0.00141 0.00000 0.00000 0.00000 0.11382
88 11PX 0.00000 0.00071 -0.00031 -0.00178 0.00000
89 11PY 0.00000 -0.00468 -0.00365 -0.00619 0.00000
90 11PZ -0.00055 0.00000 0.00000 0.00000 -0.00080
91 12D 0 0.00000 -0.00921 0.00050 -0.00899 0.00000
92 12D+1 -0.00004 0.00000 0.00000 0.00000 -0.00074
93 12D-1 0.00097 0.00000 0.00000 0.00000 0.01852
94 12D+2 0.00000 -0.01558 0.00101 -0.01753 0.00000
95 12D-2 0.00000 -0.00130 0.00095 0.01398 0.00000
96 13D 0 0.00000 -0.01068 -0.00009 -0.00671 0.00000
97 13D+1 0.00004 0.00000 0.00000 0.00000 -0.00141
98 13D-1 -0.00114 0.00000 0.00000 0.00000 0.02055
99 13D+2 0.00000 -0.01730 0.00176 -0.01392 0.00000
100 13D-2 0.00000 -0.00180 0.00012 0.01638 0.00000
101 14D 0 0.00000 0.00287 0.00233 0.00583 0.00000
102 14D+1 -0.00006 0.00000 0.00000 0.00000 -0.00170
103 14D-1 -0.00021 0.00000 0.00000 0.00000 -0.01109
104 14D+2 0.00000 0.00597 0.00507 0.00587 0.00000
105 14D-2 0.00000 -0.00208 -0.00259 -0.00457 0.00000
106 15F 0 -0.00022 0.00000 0.00000 0.00000 -0.00711
107 15F+1 0.00000 0.00015 -0.00023 -0.00212 0.00000
108 15F-1 0.00000 -0.00532 -0.00046 -0.00386 0.00000
109 15F+2 -0.00029 0.00000 0.00000 0.00000 -0.00916
110 15F-2 0.00001 0.00000 0.00000 0.00000 -0.00024
111 15F+3 0.00000 0.00054 -0.00069 -0.00765 0.00000
112 15F-3 0.00000 -0.00670 -0.00047 -0.00543 0.00000
113 16F 0 0.00044 0.00000 0.00000 0.00000 -0.00003
114 16F+1 0.00000 0.00022 0.00041 -0.00004 0.00000
115 16F-1 0.00000 -0.00158 -0.00202 0.00106 0.00000
116 16F+2 0.00062 0.00000 0.00000 0.00000 0.00120
117 16F-2 -0.00002 0.00000 0.00000 0.00000 -0.00092
118 16F+3 0.00000 0.00062 0.00074 0.00001 0.00000
119 16F-3 0.00000 -0.00121 -0.00113 0.00011 0.00000
11 12 13 14 15
O O O V V
Eigenvalues -- -0.60065 -0.47034 -0.44687 0.02846 0.05993
1 1 O 1S 0.03979 0.02153 0.00000 0.02638 0.03841
2 2S -0.10794 -0.05904 0.00000 -0.07572 -0.09102
3 3S -0.03572 -0.01842 0.00000 -0.02069 -0.02541
4 4S -0.15616 -0.12200 0.00000 -0.31974 -0.35476
5 5S -0.03152 -0.06584 0.00000 -0.72920 -2.45768
6 6PX -0.10038 -0.11286 0.00000 0.03100 0.01575
7 6PY -0.22912 -0.03950 0.00000 0.02135 0.11868
8 6PZ 0.00000 0.00000 -0.20283 0.00000 0.00000
9 7PX -0.12181 -0.13708 0.00000 0.05845 0.02660
10 7PY -0.30022 -0.05207 0.00000 0.02986 0.14510
11 7PZ 0.00000 0.00000 -0.25714 0.00000 0.00000
12 8PX -0.05915 -0.08514 0.00000 0.23860 0.05301
13 8PY -0.21555 -0.04396 0.00000 -0.13118 0.46578
14 8PZ 0.00000 0.00000 -0.21744 0.00000 0.00000
15 9PX -0.00173 -0.01177 0.00000 0.28868 -0.12450
16 9PY -0.01408 0.00302 0.00000 -0.44499 1.12934
17 9PZ 0.00000 0.00000 -0.03580 0.00000 0.00000
18 10D 0 -0.00392 -0.00245 0.00000 -0.00057 -0.00094
19 10D+1 0.00000 0.00000 0.00272 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00113 0.00000 0.00000
21 10D+2 -0.00355 0.00220 0.00000 -0.00003 -0.00152
22 10D-2 0.00411 -0.00232 0.00000 -0.00090 -0.00149
23 11D 0 -0.01005 -0.00447 0.00000 0.00944 0.00398
24 11D+1 0.00000 0.00000 0.00673 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.00135 0.00000 0.00000
26 11D+2 -0.01812 0.00352 0.00000 -0.01217 -0.00116
27 11D-2 0.01482 -0.00479 0.00000 0.00262 -0.00500
28 12D 0 -0.00391 -0.00015 0.00000 0.01144 0.05046
29 12D+1 0.00000 0.00000 0.00236 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00563 0.00000 0.00000
31 12D+2 -0.02142 -0.00707 0.00000 -0.04244 0.08647
32 12D-2 0.00827 -0.00042 0.00000 0.03337 0.01191
33 13F 0 0.00000 0.00000 0.00143 0.00000 0.00000
34 13F+1 0.00064 0.00074 0.00000 -0.00014 -0.00051
35 13F-1 0.00327 0.00043 0.00000 0.00003 -0.00035
36 13F+2 0.00000 0.00000 -0.00083 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00056 0.00000 0.00000
38 13F+3 -0.00001 -0.00145 0.00000 0.00056 0.00072
39 13F-3 0.00197 0.00066 0.00000 0.00005 0.00059
40 14F 0 0.00000 0.00000 0.00192 0.00000 0.00000
41 14F+1 -0.00004 0.00004 0.00000 -0.00526 0.00021
42 14F-1 0.00337 0.00008 0.00000 -0.00002 -0.00740
43 14F+2 0.00000 0.00000 0.00210 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00063 0.00000 0.00000
45 14F+3 0.00550 0.00021 0.00000 0.00087 0.00116
46 14F-3 0.00281 0.00080 0.00000 -0.00615 -0.01119
47 2 H 1S 0.00501 0.05483 0.00000 0.00613 0.00971
48 2S 0.05442 0.11773 0.00000 0.18978 0.05299
49 3S 0.03217 0.07440 0.00000 1.07439 0.12144
50 4S 0.00403 0.00186 0.00000 1.80720 -0.93784
51 5PX -0.00102 0.00446 0.00000 -0.00363 0.00009
52 5PY -0.00779 -0.00173 0.00000 0.00228 0.00449
53 5PZ 0.00000 0.00000 -0.00603 0.00000 0.00000
54 6PX 0.00843 0.01572 0.00000 0.07034 0.01188
55 6PY -0.02767 -0.00531 0.00000 -0.00349 0.01208
56 6PZ 0.00000 0.00000 -0.01636 0.00000 0.00000
57 7PX 0.00296 0.00658 0.00000 0.31765 -0.00178
58 7PY -0.01175 -0.00910 0.00000 -0.07679 0.01416
59 7PZ 0.00000 0.00000 -0.00976 0.00000 0.00000
60 8D 0 -0.00025 -0.00113 0.00000 -0.00125 -0.00133
61 8D+1 0.00000 0.00000 -0.00277 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00030 0.00000 0.00000
63 8D+2 -0.00132 0.00207 0.00000 0.00351 0.00167
64 8D-2 -0.00380 -0.00149 0.00000 -0.00081 0.00123
65 9D 0 -0.00025 0.00132 0.00000 -0.02522 -0.00355
66 9D+1 0.00000 0.00000 -0.00375 0.00000 0.00000
67 9D-1 0.00000 0.00000 -0.00043 0.00000 0.00000
68 9D+2 -0.00399 0.00185 0.00000 0.01290 -0.00352
69 9D-2 -0.00720 -0.00315 0.00000 0.00201 -0.00453
70 3 Cl 1S -0.01474 0.00020 0.00000 -0.00164 0.01624
71 2S 0.05741 0.00058 0.00000 -0.00052 -0.07067
72 3S -0.11339 0.00377 0.00000 -0.02513 0.11142
73 4S -0.02269 -0.00040 0.00000 0.00017 0.01281
74 5S -0.13864 -0.00926 0.00000 0.07882 0.43800
75 6S -0.03613 -0.00027 0.00000 -1.28344 2.63220
76 7PX 0.05782 -0.24927 0.00000 -0.00655 0.00422
77 7PY -0.15817 -0.02287 0.00000 -0.04040 -0.08314
78 7PZ 0.00000 0.00000 -0.23107 0.00000 0.00000
79 8PX -0.12223 0.53835 0.00000 0.00681 -0.01487
80 8PY 0.32767 0.04953 0.00000 0.10928 0.23383
81 8PZ 0.00000 0.00000 0.50302 0.00000 0.00000
82 9PX -0.05648 0.25145 0.00000 0.00818 -0.00364
83 9PY 0.14694 0.02200 0.00000 0.03819 0.07338
84 9PZ 0.00000 0.00000 0.23444 0.00000 0.00000
85 10PX -0.05703 0.33846 0.00000 0.05522 0.01815
86 10PY 0.12023 0.02019 0.00000 -0.17233 0.74883
87 10PZ 0.00000 0.00000 0.32842 0.00000 0.00000
88 11PX 0.00070 0.02008 0.00000 0.03606 -0.01664
89 11PY -0.00320 0.00336 0.00000 -0.27182 1.65301
90 11PZ 0.00000 0.00000 0.02415 0.00000 0.00000
91 12D 0 -0.01798 -0.00141 0.00000 0.00548 0.01891
92 12D+1 0.00000 0.00000 -0.00047 0.00000 0.00000
93 12D-1 0.00000 0.00000 -0.01310 0.00000 0.00000
94 12D+2 -0.03003 -0.00312 0.00000 0.01159 0.03440
95 12D-2 -0.00828 -0.00510 0.00000 0.00232 0.00116
96 13D 0 -0.02350 -0.00216 0.00000 0.01034 0.01027
97 13D+1 0.00000 0.00000 -0.00126 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.01517 0.00000 0.00000
99 13D+2 -0.03790 -0.00539 0.00000 0.02252 0.01664
100 13D-2 -0.01046 -0.00685 0.00000 -0.00024 -0.00033
101 14D 0 -0.00187 0.00316 0.00000 0.07126 -0.09708
102 14D+1 0.00000 0.00000 -0.00342 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00492 0.00000 0.00000
104 14D+2 -0.00078 -0.00223 0.00000 0.11148 -0.16094
105 14D-2 0.00034 -0.00221 0.00000 0.03496 0.01980
106 15F 0 0.00000 0.00000 0.00054 0.00000 0.00000
107 15F+1 0.00122 -0.00057 0.00000 0.00037 0.00008
108 15F-1 -0.00773 -0.00092 0.00000 -0.00260 0.00554
109 15F+2 0.00000 0.00000 0.00076 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00004 0.00000 0.00000
111 15F+3 0.00430 -0.00227 0.00000 0.00055 0.00039
112 15F-3 -0.00955 -0.00102 0.00000 -0.00187 0.00730
113 16F 0 0.00000 0.00000 -0.00231 0.00000 0.00000
114 16F+1 0.00033 -0.00168 0.00000 -0.00208 -0.00089
115 16F-1 -0.00430 -0.00040 0.00000 0.01471 -0.02215
116 16F+2 0.00000 0.00000 -0.00136 0.00000 0.00000
117 16F-2 0.00000 0.00000 -0.00118 0.00000 0.00000
118 16F+3 0.00090 -0.00141 0.00000 -0.00514 -0.00364
119 16F-3 -0.00360 -0.00219 0.00000 0.01516 -0.02836
16 17 18 19 20
V V V V V
Eigenvalues -- 0.10997 0.11604 0.13842 0.15773 0.17314
1 1 O 1S -0.00084 0.00000 0.03873 0.01858 0.00630
2 2S -0.00634 0.00000 -0.12578 -0.03766 -0.01068
3 3S -0.00320 0.00000 -0.04238 -0.00920 -0.00846
4 4S 0.46317 0.00000 0.91400 -1.11690 0.18592
5 5S 2.03665 0.00000 6.73754 -3.83228 -0.31570
6 6PX 0.03260 0.00000 0.05287 -0.06204 -0.03043
7 6PY 0.01550 0.00000 0.11189 0.09699 0.01173
8 6PZ 0.00000 -0.01823 0.00000 0.00000 0.00000
9 7PX 0.00862 0.00000 -0.00783 -0.01303 -0.03875
10 7PY 0.03186 0.00000 0.18338 0.14619 -0.00312
11 7PZ 0.00000 -0.02615 0.00000 0.00000 0.00000
12 8PX -0.24686 0.00000 -0.60123 0.58378 -0.56749
13 8PY -0.20831 0.00000 0.16693 -0.15895 0.39104
14 8PZ 0.00000 0.00171 0.00000 0.00000 0.00000
15 9PX -0.02202 0.00000 -1.28472 2.46879 -0.05399
16 9PY -0.94588 0.00000 -0.54182 -0.27984 1.93010
17 9PZ 0.00000 -0.22430 0.00000 0.00000 0.00000
18 10D 0 0.00018 0.00000 -0.00032 -0.00009 0.00016
19 10D+1 0.00000 -0.00005 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00093 0.00000 0.00000 0.00000
21 10D+2 -0.00053 0.00000 -0.00275 0.00080 -0.00466
22 10D-2 -0.00165 0.00000 -0.00192 -0.00146 -0.00045
23 11D 0 -0.01035 0.00000 -0.02415 0.01151 -0.02449
24 11D+1 0.00000 0.00081 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00489 0.00000 0.00000 0.00000
26 11D+2 0.01981 0.00000 0.04456 -0.02119 0.00015
27 11D-2 -0.00946 0.00000 -0.02397 0.01731 0.00062
28 12D 0 -0.03704 0.00000 -0.12387 0.02677 0.04282
29 12D+1 0.00000 0.00544 0.00000 0.00000 0.00000
30 12D-1 0.00000 -0.05407 0.00000 0.00000 0.00000
31 12D+2 0.02100 0.00000 -0.00054 -0.27418 0.42891
32 12D-2 0.13997 0.00000 -0.08613 -0.06029 -0.10268
33 13F 0 0.00000 0.00182 0.00000 0.00000 0.00000
34 13F+1 0.00015 0.00000 0.00156 -0.00016 -0.00109
35 13F-1 -0.00126 0.00000 -0.00235 -0.00273 0.00495
36 13F+2 0.00000 0.00186 0.00000 0.00000 0.00000
37 13F-2 0.00000 -0.00058 0.00000 0.00000 0.00000
38 13F+3 -0.00266 0.00000 -0.00207 0.00150 0.00305
39 13F-3 0.00249 0.00000 -0.00023 -0.00428 0.00318
40 14F 0 0.00000 -0.00628 0.00000 0.00000 0.00000
41 14F+1 0.00494 0.00000 0.00823 -0.00691 0.01902
42 14F-1 0.00697 0.00000 0.00309 0.01162 -0.03023
43 14F+2 0.00000 -0.00737 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00262 0.00000 0.00000 0.00000
45 14F+3 0.00092 0.00000 -0.00596 0.00701 -0.02622
46 14F-3 -0.01048 0.00000 0.01621 0.01994 -0.01576
47 2 H 1S 0.01029 0.00000 0.01918 0.00257 -0.01151
48 2S -0.15470 0.00000 -0.50505 0.50467 -0.66929
49 3S -1.27418 0.00000 -3.86664 4.09116 0.06908
50 4S -0.38130 0.00000 -0.85117 0.49822 0.01638
51 5PX -0.00423 0.00000 -0.00869 0.00215 -0.00243
52 5PY -0.00250 0.00000 0.00538 0.00145 0.00929
53 5PZ 0.00000 0.00068 0.00000 0.00000 0.00000
54 6PX -0.11568 0.00000 -0.31971 0.27941 -0.06289
55 6PY 0.11423 0.00000 0.07008 -0.10281 0.01692
56 6PZ 0.00000 0.00503 0.00000 0.00000 0.00000
57 7PX -0.40546 0.00000 -1.44164 1.09372 0.27152
58 7PY 0.72239 0.00000 0.39726 -0.29312 -0.55636
59 7PZ 0.00000 0.05838 0.00000 0.00000 0.00000
60 8D 0 0.00604 0.00000 0.00954 -0.01026 0.00338
61 8D+1 0.00000 -0.00062 0.00000 0.00000 0.00000
62 8D-1 0.00000 -0.00070 0.00000 0.00000 0.00000
63 8D+2 -0.00623 0.00000 -0.01703 0.01025 0.00105
64 8D-2 0.00457 0.00000 0.00896 -0.00521 0.00334
65 9D 0 0.03474 0.00000 0.07539 -0.01795 -0.10245
66 9D+1 0.00000 0.01074 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.01269 0.00000 0.00000 0.00000
68 9D+2 0.01357 0.00000 -0.07991 0.08779 -0.01555
69 9D-2 0.10938 0.00000 0.04574 -0.05126 -0.04660
70 3 Cl 1S 0.00269 0.00000 0.00546 0.00331 0.01207
71 2S -0.01136 0.00000 -0.00151 0.00836 -0.07998
72 3S 0.02144 0.00000 0.07776 0.06365 0.03609
73 4S 0.01021 0.00000 0.00841 0.00495 0.01038
74 5S -0.07903 0.00000 -0.26589 -0.45827 1.36897
75 6S -0.88613 0.00000 -1.76931 0.52690 -0.19666
76 7PX -0.05192 0.00000 0.01070 -0.01012 -0.01325
77 7PY -0.00423 0.00000 -0.12019 -0.08673 -0.02912
78 7PZ 0.00000 0.06162 0.00000 0.00000 0.00000
79 8PX 0.04919 0.00000 0.01913 0.01208 -0.03645
80 8PY -0.01306 0.00000 0.20497 0.06228 0.24903
81 8PZ 0.00000 -0.01112 0.00000 0.00000 0.00000
82 9PX 0.06938 0.00000 -0.01814 0.01423 0.02414
83 9PY 0.00658 0.00000 0.13181 0.10452 0.01479
84 9PZ 0.00000 -0.08914 0.00000 0.00000 0.00000
85 10PX 0.35815 0.00000 -0.22924 -0.04021 0.34574
86 10PY -0.10819 0.00000 0.17004 0.14408 0.35725
87 10PZ 0.00000 -0.58399 0.00000 0.00000 0.00000
88 11PX -1.38715 0.00000 0.55384 -1.07409 -0.24136
89 11PY -0.07773 0.00000 -1.67220 -0.13339 -0.91180
90 11PZ 0.00000 1.42040 0.00000 0.00000 0.00000
91 12D 0 -0.00175 0.00000 0.02189 0.02287 -0.00042
92 12D+1 0.00000 -0.00184 0.00000 0.00000 0.00000
93 12D-1 0.00000 -0.00237 0.00000 0.00000 0.00000
94 12D+2 0.00316 0.00000 0.04481 0.03654 -0.00898
95 12D-2 -0.00093 0.00000 0.00159 0.00097 -0.00035
96 13D 0 0.02703 0.00000 0.02609 0.01696 -0.06284
97 13D+1 0.00000 0.00420 0.00000 0.00000 0.00000
98 13D-1 0.00000 -0.03456 0.00000 0.00000 0.00000
99 13D+2 0.02082 0.00000 0.03851 0.06116 -0.10748
100 13D-2 0.06864 0.00000 -0.00216 0.00365 -0.00400
101 14D 0 -0.05624 0.00000 0.08759 0.12219 0.15596
102 14D+1 0.00000 -0.01426 0.00000 0.00000 0.00000
103 14D-1 0.00000 -0.01340 0.00000 0.00000 0.00000
104 14D+2 0.04021 0.00000 0.22987 0.15826 0.09860
105 14D-2 -0.12407 0.00000 -0.06701 -0.13893 0.17416
106 15F 0 0.00000 0.00094 0.00000 0.00000 0.00000
107 15F+1 -0.00233 0.00000 -0.00094 -0.00088 0.00298
108 15F-1 0.00309 0.00000 0.00415 0.00499 -0.01744
109 15F+2 0.00000 0.00047 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00064 0.00000 0.00000 0.00000
111 15F+3 -0.00455 0.00000 -0.00453 -0.00396 0.01002
112 15F-3 -0.00317 0.00000 0.00395 0.00598 -0.01093
113 16F 0 0.00000 0.01115 0.00000 0.00000 0.00000
114 16F+1 0.00122 0.00000 0.00280 0.00865 -0.01162
115 16F-1 -0.00241 0.00000 0.00721 -0.00527 0.03949
116 16F+2 0.00000 0.01605 0.00000 0.00000 0.00000
117 16F-2 0.00000 -0.00124 0.00000 0.00000 0.00000
118 16F+3 -0.01017 0.00000 0.00933 0.03519 -0.03458
119 16F-3 0.01755 0.00000 0.01718 0.00595 0.00179
21 22 23 24 25
V V V V V
Eigenvalues -- 0.17548 0.18842 0.24313 0.25856 0.31010
1 1 O 1S 0.01801 0.00000 -0.00616 0.00000 0.00974
2 2S -0.00982 0.00000 0.02211 0.00000 0.01167
3 3S -0.00946 0.00000 0.00371 0.00000 -0.00003
4 4S 0.05846 0.00000 -0.54252 0.00000 -0.19702
5 5S -2.44109 0.00000 -2.04438 0.00000 -2.65350
6 6PX 0.02896 0.00000 -0.04553 0.00000 -0.01660
7 6PY -0.10890 0.00000 0.01442 0.00000 -0.02602
8 6PZ 0.00000 -0.08291 0.00000 -0.04285 0.00000
9 7PX 0.01197 0.00000 -0.03622 0.00000 -0.01224
10 7PY -0.15901 0.00000 0.00057 0.00000 -0.03423
11 7PZ 0.00000 -0.07486 0.00000 -0.02647 0.00000
12 8PX -0.21353 0.00000 -0.79586 0.00000 -0.12319
13 8PY 0.68898 0.00000 0.51744 0.00000 -0.76479
14 8PZ 0.00000 -0.09724 0.00000 -1.05237 0.00000
15 9PX 0.45279 0.00000 -1.94122 0.00000 1.23183
16 9PY 2.67167 0.00000 1.24328 0.00000 -1.65646
17 9PZ 0.00000 2.24385 0.00000 -1.29205 0.00000
18 10D 0 0.00195 0.00000 0.00190 0.00000 -0.00054
19 10D+1 0.00000 -0.00154 0.00000 -0.00537 0.00000
20 10D-1 0.00000 -0.00151 0.00000 0.00032 0.00000
21 10D+2 -0.00050 0.00000 -0.00329 0.00000 -0.00260
22 10D-2 0.00126 0.00000 0.00128 0.00000 -0.00488
23 11D 0 -0.01983 0.00000 0.01248 0.00000 -0.01217
24 11D+1 0.00000 0.02328 0.00000 0.01151 0.00000
25 11D-1 0.00000 0.02386 0.00000 0.00381 0.00000
26 11D+2 0.03336 0.00000 0.01276 0.00000 0.00925
27 11D-2 -0.00690 0.00000 -0.00359 0.00000 0.00565
28 12D 0 0.10861 0.00000 -0.16394 0.00000 0.12726
29 12D+1 0.00000 -0.13490 0.00000 0.53562 0.00000
30 12D-1 0.00000 -0.14920 0.00000 -0.16387 0.00000
31 12D+2 0.15653 0.00000 0.48096 0.00000 0.19927
32 12D-2 -0.15403 0.00000 0.03606 0.00000 0.57728
33 13F 0 0.00000 0.00452 0.00000 -0.00557 0.00000
34 13F+1 -0.00040 0.00000 -0.00558 0.00000 -0.00036
35 13F-1 0.00142 0.00000 -0.00111 0.00000 -0.00118
36 13F+2 0.00000 0.00061 0.00000 0.00805 0.00000
37 13F-2 0.00000 0.00001 0.00000 -0.00259 0.00000
38 13F+3 -0.00183 0.00000 0.00285 0.00000 0.00252
39 13F-3 -0.00089 0.00000 -0.00088 0.00000 0.00877
40 14F 0 0.00000 -0.01414 0.00000 0.05088 0.00000
41 14F+1 0.00697 0.00000 0.03843 0.00000 0.00226
42 14F-1 -0.01189 0.00000 -0.00297 0.00000 0.01272
43 14F+2 0.00000 -0.00590 0.00000 -0.06323 0.00000
44 14F-2 0.00000 0.00229 0.00000 0.02837 0.00000
45 14F+3 -0.00164 0.00000 -0.02611 0.00000 -0.02655
46 14F-3 0.00743 0.00000 -0.00152 0.00000 -0.06466
47 2 H 1S 0.02231 0.00000 -0.04861 0.00000 0.02027
48 2S -0.23280 0.00000 -0.77064 0.00000 0.21897
49 3S -1.05742 0.00000 -1.83210 0.00000 0.93747
50 4S -2.03586 0.00000 -0.72758 0.00000 0.00073
51 5PX -0.00925 0.00000 0.00516 0.00000 -0.00115
52 5PY 0.00055 0.00000 -0.00597 0.00000 -0.00556
53 5PZ 0.00000 0.00054 0.00000 -0.00439 0.00000
54 6PX -0.14654 0.00000 -0.06281 0.00000 0.09562
55 6PY -0.05144 0.00000 0.12631 0.00000 0.34432
56 6PZ 0.00000 -0.01780 0.00000 0.37424 0.00000
57 7PX -1.13618 0.00000 1.28031 0.00000 0.12752
58 7PY 0.02196 0.00000 0.23492 0.00000 3.20976
59 7PZ 0.00000 -0.52747 0.00000 2.29589 0.00000
60 8D 0 -0.00113 0.00000 0.00541 0.00000 -0.00251
61 8D+1 0.00000 0.00352 0.00000 0.00830 0.00000
62 8D-1 0.00000 -0.00079 0.00000 -0.00231 0.00000
63 8D+2 -0.00690 0.00000 -0.00204 0.00000 0.00167
64 8D-2 -0.00054 0.00000 0.00577 0.00000 0.00324
65 9D 0 0.06898 0.00000 -0.09686 0.00000 0.06172
66 9D+1 0.00000 -0.05369 0.00000 0.41438 0.00000
67 9D-1 0.00000 0.03769 0.00000 -0.09048 0.00000
68 9D+2 -0.05450 0.00000 0.21507 0.00000 0.20491
69 9D-2 -0.04178 0.00000 -0.03182 0.00000 0.43181
70 3 Cl 1S -0.01885 0.00000 -0.00878 0.00000 -0.00001
71 2S 0.06397 0.00000 0.06249 0.00000 -0.03792
72 3S -0.17524 0.00000 -0.02646 0.00000 -0.07003
73 4S -0.05199 0.00000 -0.03553 0.00000 -0.00450
74 5S -0.10138 0.00000 -0.57478 0.00000 0.42556
75 6S 6.16257 0.00000 4.78419 0.00000 1.38248
76 7PX -0.01481 0.00000 -0.00662 0.00000 0.03712
77 7PY 0.04085 0.00000 -0.02713 0.00000 -0.01705
78 7PZ 0.00000 -0.00472 0.00000 -0.00010 0.00000
79 8PX 0.02869 0.00000 0.02951 0.00000 0.03321
80 8PY -0.12310 0.00000 0.04041 0.00000 -0.02041
81 8PZ 0.00000 0.03544 0.00000 -0.00140 0.00000
82 9PX 0.01783 0.00000 0.00534 0.00000 -0.05854
83 9PY -0.04079 0.00000 0.03019 0.00000 0.02429
84 9PZ 0.00000 0.00241 0.00000 0.00072 0.00000
85 10PX -0.05477 0.00000 0.19092 0.00000 -0.59909
86 10PY 1.46935 0.00000 1.22144 0.00000 1.05115
87 10PZ 0.00000 -0.21737 0.00000 -0.01994 0.00000
88 11PX -0.63460 0.00000 0.13685 0.00000 -0.61228
89 11PY 1.26752 0.00000 1.35304 0.00000 0.56695
90 11PZ 0.00000 -1.14124 0.00000 0.09020 0.00000
91 12D 0 -0.01175 0.00000 0.04197 0.00000 0.00854
92 12D+1 0.00000 0.00044 0.00000 -0.05331 0.00000
93 12D-1 0.00000 -0.00198 0.00000 -0.00385 0.00000
94 12D+2 -0.00856 0.00000 -0.00052 0.00000 -0.02160
95 12D-2 0.00501 0.00000 -0.01110 0.00000 0.03998
96 13D 0 -0.06441 0.00000 -0.00668 0.00000 -0.01061
97 13D+1 0.00000 0.01582 0.00000 -0.01373 0.00000
98 13D-1 0.00000 0.02984 0.00000 0.01105 0.00000
99 13D+2 -0.09280 0.00000 -0.05278 0.00000 -0.03120
100 13D-2 0.00497 0.00000 0.03202 0.00000 0.08706
101 14D 0 -0.30623 0.00000 -0.08580 0.00000 -0.19691
102 14D+1 0.00000 -0.02279 0.00000 -0.26339 0.00000
103 14D-1 0.00000 -0.25401 0.00000 -0.09544 0.00000
104 14D+2 -0.49673 0.00000 -0.45342 0.00000 -0.24882
105 14D-2 -0.10926 0.00000 -0.01819 0.00000 -0.02386
106 15F 0 0.00000 -0.00164 0.00000 -0.00555 0.00000
107 15F+1 -0.00045 0.00000 -0.00625 0.00000 -0.00169
108 15F-1 0.00630 0.00000 0.01397 0.00000 0.00385
109 15F+2 0.00000 -0.00630 0.00000 0.00231 0.00000
110 15F-2 0.00000 0.00098 0.00000 -0.00220 0.00000
111 15F+3 -0.00619 0.00000 0.00081 0.00000 0.00126
112 15F-3 0.00944 0.00000 0.00765 0.00000 -0.01577
113 16F 0 0.00000 0.02189 0.00000 0.01815 0.00000
114 16F+1 0.00329 0.00000 0.01312 0.00000 0.00569
115 16F-1 -0.06217 0.00000 -0.05720 0.00000 -0.04037
116 16F+2 0.00000 0.03989 0.00000 0.00050 0.00000
117 16F-2 0.00000 0.00201 0.00000 -0.01289 0.00000
118 16F+3 0.02210 0.00000 -0.01425 0.00000 -0.00943
119 16F-3 -0.07411 0.00000 -0.07411 0.00000 0.01749
26 27 28 29 30
V V V V V
Eigenvalues -- 0.32272 0.38845 0.39376 0.42099 0.42369
1 1 O 1S 0.01661 0.00000 0.00896 0.00000 0.04035
2 2S -0.13242 0.00000 -0.06987 0.00000 -0.12128
3 3S -0.05602 0.00000 -0.03092 0.00000 -0.03281
4 4S 1.60824 0.00000 0.42321 0.00000 -3.31225
5 5S 12.55713 0.00000 6.09157 0.00000 -8.77671
6 6PX -0.03347 0.00000 -0.04372 0.00000 0.12785
7 6PY -0.06543 0.00000 -0.04480 0.00000 -0.05757
8 6PZ 0.00000 -0.01159 0.00000 -0.08166 0.00000
9 7PX -0.14358 0.00000 -0.08167 0.00000 0.36736
10 7PY 0.01145 0.00000 -0.00977 0.00000 -0.07730
11 7PZ 0.00000 -0.00490 0.00000 -0.06765 0.00000
12 8PX -1.40743 0.00000 -1.11954 0.00000 1.25809
13 8PY -1.04255 0.00000 -0.90557 0.00000 -0.87324
14 8PZ 0.00000 -0.51514 0.00000 -0.62821 0.00000
15 9PX -0.63829 0.00000 -1.52184 0.00000 1.25238
16 9PY -2.85622 0.00000 -1.59178 0.00000 -0.02918
17 9PZ 0.00000 -0.98365 0.00000 -0.89359 0.00000
18 10D 0 0.00697 0.00000 0.00150 0.00000 -0.00130
19 10D+1 0.00000 -0.00006 0.00000 -0.00005 0.00000
20 10D-1 0.00000 0.00155 0.00000 -0.00401 0.00000
21 10D+2 0.00280 0.00000 0.00183 0.00000 0.00657
22 10D-2 0.00083 0.00000 -0.00083 0.00000 -0.00474
23 11D 0 -0.05737 0.00000 -0.03330 0.00000 0.04533
24 11D+1 0.00000 0.01187 0.00000 0.01318 0.00000
25 11D-1 0.00000 0.00689 0.00000 -0.03768 0.00000
26 11D+2 0.05489 0.00000 0.03609 0.00000 -0.08272
27 11D-2 -0.01736 0.00000 -0.00128 0.00000 0.01802
28 12D 0 -0.38721 0.00000 -0.27974 0.00000 -0.18000
29 12D+1 0.00000 0.28385 0.00000 0.07625 0.00000
30 12D-1 0.00000 -0.10090 0.00000 0.16807 0.00000
31 12D+2 -0.08574 0.00000 0.18855 0.00000 0.10343
32 12D-2 -0.18269 0.00000 0.15438 0.00000 -0.05145
33 13F 0 0.00000 -0.00249 0.00000 -0.00259 0.00000
34 13F+1 0.00159 0.00000 -0.00177 0.00000 -0.00879
35 13F-1 -0.00387 0.00000 -0.00097 0.00000 0.00042
36 13F+2 0.00000 0.00414 0.00000 -0.00164 0.00000
37 13F-2 0.00000 -0.00400 0.00000 0.00096 0.00000
38 13F+3 -0.00292 0.00000 0.00012 0.00000 0.00787
39 13F-3 -0.00134 0.00000 -0.00031 0.00000 -0.00696
40 14F 0 0.00000 0.02401 0.00000 0.01711 0.00000
41 14F+1 0.02990 0.00000 0.03370 0.00000 0.02125
42 14F-1 0.03031 0.00000 0.02129 0.00000 0.01010
43 14F+2 0.00000 -0.02975 0.00000 -0.00983 0.00000
44 14F-2 0.00000 0.01695 0.00000 0.00242 0.00000
45 14F+3 -0.02437 0.00000 -0.03532 0.00000 -0.04309
46 14F-3 0.06172 0.00000 0.00913 0.00000 0.02155
47 2 H 1S 0.00681 0.00000 -0.00200 0.00000 0.06473
48 2S -1.20247 0.00000 -0.83005 0.00000 0.56205
49 3S -4.88163 0.00000 -2.87193 0.00000 11.45338
50 4S 0.32609 0.00000 0.19981 0.00000 1.25169
51 5PX -0.01306 0.00000 -0.00547 0.00000 -0.02181
52 5PY 0.00021 0.00000 -0.00989 0.00000 0.00455
53 5PZ 0.00000 -0.00103 0.00000 -0.00233 0.00000
54 6PX -0.49202 0.00000 -0.20746 0.00000 0.61523
55 6PY 0.11413 0.00000 0.24930 0.00000 -0.09230
56 6PZ 0.00000 0.16626 0.00000 0.06781 0.00000
57 7PX -1.03084 0.00000 0.73329 0.00000 4.42395
58 7PY 0.32667 0.00000 0.60958 0.00000 -1.79606
59 7PZ 0.00000 1.63328 0.00000 0.32499 0.00000
60 8D 0 0.01975 0.00000 0.01243 0.00000 -0.01662
61 8D+1 0.00000 0.00242 0.00000 0.00515 0.00000
62 8D-1 0.00000 0.00013 0.00000 0.00026 0.00000
63 8D+2 -0.02838 0.00000 -0.00991 0.00000 0.03228
64 8D-2 0.01355 0.00000 0.01332 0.00000 -0.00955
65 9D 0 0.05894 0.00000 -0.04896 0.00000 -0.32559
66 9D+1 0.00000 0.23592 0.00000 0.03710 0.00000
67 9D-1 0.00000 -0.04228 0.00000 -0.06390 0.00000
68 9D+2 -0.02147 0.00000 0.14598 0.00000 0.36653
69 9D-2 0.02281 0.00000 0.11457 0.00000 -0.23723
70 3 Cl 1S 0.00354 0.00000 -0.00182 0.00000 -0.00171
71 2S 0.02872 0.00000 0.04470 0.00000 0.04897
72 3S 0.11843 0.00000 0.05916 0.00000 0.06552
73 4S 0.05462 0.00000 0.02165 0.00000 0.00839
74 5S -1.08534 0.00000 -0.96929 0.00000 -0.65608
75 6S -7.62265 0.00000 -3.08547 0.00000 -0.75056
76 7PX 0.01118 0.00000 0.00718 0.00000 -0.02453
77 7PY 0.04360 0.00000 0.01807 0.00000 0.01805
78 7PZ 0.00000 0.00091 0.00000 -0.01546 0.00000
79 8PX 0.00660 0.00000 0.01102 0.00000 0.07020
80 8PY -0.25464 0.00000 -0.13836 0.00000 -0.06151
81 8PZ 0.00000 0.00337 0.00000 0.07629 0.00000
82 9PX -0.01717 0.00000 -0.01271 0.00000 0.02487
83 9PY -0.02283 0.00000 -0.00374 0.00000 -0.01177
84 9PZ 0.00000 -0.00116 0.00000 0.00947 0.00000
85 10PX -0.19587 0.00000 0.07995 0.00000 0.44024
86 10PY -2.33607 0.00000 -1.19585 0.00000 -1.30863
87 10PZ 0.00000 -0.05234 0.00000 0.16214 0.00000
88 11PX 0.02178 0.00000 0.22422 0.00000 0.21792
89 11PY -1.91886 0.00000 -0.59160 0.00000 0.06385
90 11PZ 0.00000 0.09818 0.00000 0.59507 0.00000
91 12D 0 0.03706 0.00000 -0.11870 0.00000 0.00471
92 12D+1 0.00000 0.14094 0.00000 0.02551 0.00000
93 12D-1 0.00000 -0.02745 0.00000 0.15125 0.00000
94 12D+2 -0.06139 0.00000 0.05362 0.00000 -0.01667
95 12D-2 -0.00431 0.00000 0.02081 0.00000 0.04455
96 13D 0 0.09441 0.00000 0.09764 0.00000 0.00403
97 13D+1 0.00000 -0.05428 0.00000 -0.01130 0.00000
98 13D-1 0.00000 0.01141 0.00000 -0.01397 0.00000
99 13D+2 0.19035 0.00000 0.06270 0.00000 0.03752
100 13D-2 0.04146 0.00000 0.04508 0.00000 -0.02498
101 14D 0 0.55491 0.00000 -0.70218 0.00000 0.41948
102 14D+1 0.00000 1.03162 0.00000 0.19247 0.00000
103 14D-1 0.00000 -0.27919 0.00000 1.36942 0.00000
104 14D+2 0.17660 0.00000 0.71844 0.00000 0.27786
105 14D-2 -0.18118 0.00000 0.20485 0.00000 0.60164
106 15F 0 0.00000 -0.00550 0.00000 0.00806 0.00000
107 15F+1 -0.00278 0.00000 -0.00392 0.00000 -0.00067
108 15F-1 0.00545 0.00000 0.00376 0.00000 -0.00563
109 15F+2 0.00000 -0.00014 0.00000 0.01226 0.00000
110 15F-2 0.00000 -0.00125 0.00000 -0.00014 0.00000
111 15F+3 -0.00440 0.00000 0.00486 0.00000 0.00589
112 15F-3 0.00374 0.00000 -0.00222 0.00000 0.00395
113 16F 0 0.00000 0.01989 0.00000 -0.04150 0.00000
114 16F+1 0.00790 0.00000 0.00705 0.00000 -0.00255
115 16F-1 0.07357 0.00000 0.03170 0.00000 0.04764
116 16F+2 0.00000 0.00547 0.00000 -0.05705 0.00000
117 16F-2 0.00000 0.00146 0.00000 -0.00414 0.00000
118 16F+3 0.01402 0.00000 -0.03268 0.00000 -0.02502
119 16F-3 0.08836 0.00000 0.04844 0.00000 0.01675
31 32 33 34 35
V V V V V
Eigenvalues -- 0.44903 0.49957 0.60729 0.61763 0.68968
1 1 O 1S 0.01280 0.03021 -0.02345 0.00000 -0.01099
2 2S -0.02902 -0.08348 0.05471 0.00000 -0.07014
3 3S -0.00288 -0.02846 0.03091 0.00000 -0.01972
4 4S -1.57039 -1.25138 -0.47879 0.00000 1.32057
5 5S -2.35914 -1.54813 0.82357 0.00000 0.49729
6 6PX 0.06057 -0.01841 -0.05803 0.00000 -0.02228
7 6PY -0.01628 0.10830 -0.06462 0.00000 -0.02538
8 6PZ 0.00000 0.00000 0.00000 -0.04388 0.00000
9 7PX 0.16658 -0.00093 -0.00706 0.00000 -0.06743
10 7PY -0.00748 0.16044 0.00346 0.00000 0.01634
11 7PZ 0.00000 0.00000 0.00000 -0.03549 0.00000
12 8PX 1.18403 0.21710 3.06530 0.00000 0.33156
13 8PY -0.97223 0.62936 -2.47529 0.00000 -1.37513
14 8PZ 0.00000 0.00000 0.00000 -0.37588 0.00000
15 9PX 1.66972 -0.35707 1.68303 0.00000 0.36422
16 9PY -1.72000 0.07177 -1.89581 0.00000 0.00770
17 9PZ 0.00000 0.00000 0.00000 -0.11727 0.00000
18 10D 0 -0.00134 -0.00074 0.00648 0.00000 0.00254
19 10D+1 0.00000 0.00000 0.00000 0.00148 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00253 0.00000
21 10D+2 -0.00133 -0.00299 -0.00544 0.00000 -0.00067
22 10D-2 0.00134 0.00016 -0.00001 0.00000 -0.00069
23 11D 0 0.03581 -0.00719 0.05366 0.00000 -0.02937
24 11D+1 0.00000 0.00000 0.00000 -0.00588 0.00000
25 11D-1 0.00000 0.00000 0.00000 -0.01217 0.00000
26 11D+2 -0.06336 -0.04343 -0.15713 0.00000 -0.05003
27 11D-2 0.06954 -0.02854 0.04701 0.00000 -0.03703
28 12D 0 -0.03056 -0.19733 0.33544 0.00000 -0.00836
29 12D+1 0.00000 0.00000 0.00000 -0.00564 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.57009 0.00000
31 12D+2 -0.29806 -0.56625 -2.17141 0.00000 -0.81605
32 12D-2 0.13278 -0.17022 -0.13455 0.00000 0.24526
33 13F 0 0.00000 0.00000 0.00000 -0.00700 0.00000
34 13F+1 -0.00347 -0.00098 0.00799 0.00000 0.00399
35 13F-1 -0.00116 -0.00537 -0.00445 0.00000 -0.00042
36 13F+2 0.00000 0.00000 0.00000 -0.00714 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00539 0.00000
38 13F+3 0.00435 -0.00200 -0.00270 0.00000 -0.01359
39 13F-3 -0.00156 -0.00697 -0.00944 0.00000 0.00386
40 14F 0 0.00000 0.00000 0.00000 0.05073 0.00000
41 14F+1 -0.00699 -0.00189 -0.11426 0.00000 -0.01428
42 14F-1 0.02607 0.04837 0.06072 0.00000 0.01834
43 14F+2 0.00000 0.00000 0.00000 0.05611 0.00000
44 14F-2 0.00000 0.00000 0.00000 -0.02650 0.00000
45 14F+3 0.01137 0.03243 0.09333 0.00000 0.08888
46 14F-3 -0.01435 0.09256 0.07307 0.00000 0.02212
47 2 H 1S -0.02965 -0.01013 -0.12081 0.00000 -0.00252
48 2S 0.88112 0.23730 2.73731 0.00000 0.21443
49 3S 3.08477 -0.09715 5.40081 0.00000 4.76728
50 4S 0.34561 -0.15977 0.67465 0.00000 0.50774
51 5PX 0.00039 0.00168 0.01632 0.00000 -0.01076
52 5PY -0.00724 -0.00036 0.00279 0.00000 0.01119
53 5PZ 0.00000 0.00000 0.00000 -0.00193 0.00000
54 6PX 0.38590 0.03430 0.72677 0.00000 0.04981
55 6PY 0.02910 -0.13112 -0.42829 0.00000 -0.05426
56 6PZ 0.00000 0.00000 0.00000 -0.00031 0.00000
57 7PX 1.29962 0.04201 0.36638 0.00000 0.77088
58 7PY 1.72256 -0.61961 -0.43147 0.00000 -2.53663
59 7PZ 0.00000 0.00000 0.00000 -0.15314 0.00000
60 8D 0 -0.01190 -0.00309 -0.02668 0.00000 0.01296
61 8D+1 0.00000 0.00000 0.00000 0.00206 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00538 0.00000
63 8D+2 0.01380 -0.00002 0.01494 0.00000 -0.00094
64 8D-2 -0.00348 -0.00776 -0.02316 0.00000 -0.00084
65 9D 0 0.02557 0.04745 0.28058 0.00000 -0.03330
66 9D+1 0.00000 0.00000 0.00000 -0.11354 0.00000
67 9D-1 0.00000 0.00000 0.00000 -0.15749 0.00000
68 9D+2 0.28645 -0.04037 -0.24856 0.00000 -0.37942
69 9D-2 0.12776 -0.21892 -0.05440 0.00000 -0.25812
70 3 Cl 1S 0.00144 0.01289 0.00569 0.00000 -0.01079
71 2S -0.01196 -0.04439 0.07895 0.00000 0.09281
72 3S 0.00365 0.12432 0.24370 0.00000 0.01181
73 4S 0.01654 0.05347 0.06990 0.00000 0.03709
74 5S -0.53595 -1.01938 -2.67251 0.00000 -1.55284
75 6S -0.08888 2.38012 -4.68137 0.00000 -4.21656
76 7PX 0.04264 -0.01342 -0.07146 0.00000 0.09614
77 7PY -0.02071 -0.13603 -0.01835 0.00000 -0.04833
78 7PZ 0.00000 0.00000 0.00000 0.13269 0.00000
79 8PX -0.16172 0.08086 0.49460 0.00000 -1.07752
80 8PY -0.12000 0.13740 -0.35266 0.00000 0.35409
81 8PZ 0.00000 0.00000 0.00000 -1.18040 0.00000
82 9PX -0.03687 0.00859 0.04908 0.00000 -0.02131
83 9PY 0.04033 0.16855 0.06776 0.00000 0.04763
84 9PZ 0.00000 0.00000 0.00000 -0.05426 0.00000
85 10PX -0.36141 -0.06968 -1.12837 0.00000 2.75265
86 10PY -0.08135 0.42973 -3.66618 0.00000 -4.30383
87 10PZ 0.00000 0.00000 0.00000 2.33350 0.00000
88 11PX -1.07226 0.23293 0.25763 0.00000 -0.18013
89 11PY 0.33804 1.19659 -0.89778 0.00000 -0.67996
90 11PZ 0.00000 0.00000 0.00000 -0.70382 0.00000
91 12D 0 -0.03314 -0.05898 -0.00600 0.00000 0.00308
92 12D+1 0.00000 0.00000 0.00000 0.00176 0.00000
93 12D-1 0.00000 0.00000 0.00000 -0.02524 0.00000
94 12D+2 -0.01647 -0.08743 -0.03053 0.00000 -0.03259
95 12D-2 -0.14465 0.02628 0.02604 0.00000 0.03327
96 13D 0 0.03745 0.15669 0.15520 0.00000 0.19057
97 13D+1 0.00000 0.00000 0.00000 -0.01518 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.06845 0.00000
99 13D+2 0.05437 0.26331 0.20423 0.00000 0.19250
100 13D-2 0.01860 -0.00415 -0.17869 0.00000 0.13247
101 14D 0 -0.33254 -0.95083 0.64228 0.00000 0.89678
102 14D+1 0.00000 0.00000 0.00000 0.03128 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.47847 0.00000
104 14D+2 -0.02938 -1.52769 1.35847 0.00000 1.20649
105 14D-2 -1.53838 0.15724 -0.08400 0.00000 1.08552
106 15F 0 0.00000 0.00000 0.00000 0.01792 0.00000
107 15F+1 -0.00774 -0.00218 0.00077 0.00000 0.01045
108 15F-1 0.00923 0.03455 -0.00307 0.00000 -0.02272
109 15F+2 0.00000 0.00000 0.00000 0.02360 0.00000
110 15F-2 0.00000 0.00000 0.00000 -0.00162 0.00000
111 15F+3 -0.01926 -0.00669 -0.01999 0.00000 0.02527
112 15F-3 -0.00639 0.04293 -0.00957 0.00000 -0.01619
113 16F 0 0.00000 0.00000 0.00000 -0.10031 0.00000
114 16F+1 0.03315 0.00500 0.01700 0.00000 -0.05333
115 16F-1 -0.02678 -0.06407 0.08809 0.00000 0.16547
116 16F+2 0.00000 0.00000 0.00000 -0.12781 0.00000
117 16F-2 0.00000 0.00000 0.00000 -0.00058 0.00000
118 16F+3 0.08916 0.02048 0.13893 0.00000 -0.14527
119 16F-3 0.03764 -0.07792 0.14462 0.00000 0.14653
36 37 38 39 40
V V V V V
Eigenvalues -- 0.70906 0.71177 0.72908 0.77627 0.79651
1 1 O 1S -0.01509 0.00000 0.01390 0.00000 -0.00404
2 2S -0.14299 0.00000 0.00861 0.00000 -0.03678
3 3S -0.03265 0.00000 -0.00316 0.00000 -0.01035
4 4S 2.54214 0.00000 -0.24277 0.00000 1.95332
5 5S 8.36184 0.00000 -5.49841 0.00000 4.63420
6 6PX 0.02065 0.00000 -0.01479 0.00000 0.02587
7 6PY -0.03565 0.00000 0.06203 0.00000 0.06206
8 6PZ 0.00000 0.03298 0.00000 -0.07484 0.00000
9 7PX -0.10409 0.00000 0.02146 0.00000 -0.00317
10 7PY -0.00062 0.00000 0.08000 0.00000 0.07141
11 7PZ 0.00000 0.03546 0.00000 -0.13587 0.00000
12 8PX -0.04986 0.00000 -0.36950 0.00000 0.09661
13 8PY -2.49675 0.00000 -2.01850 0.00000 -0.19888
14 8PZ 0.00000 -2.04406 0.00000 0.09684 0.00000
15 9PX -1.05770 0.00000 0.74851 0.00000 0.18769
16 9PY -2.39871 0.00000 -0.16271 0.00000 -0.72322
17 9PZ 0.00000 -1.07138 0.00000 -0.97612 0.00000
18 10D 0 -0.02762 0.00000 0.01113 0.00000 0.01586
19 10D+1 0.00000 0.01879 0.00000 0.01262 0.00000
20 10D-1 0.00000 -0.00019 0.00000 0.03463 0.00000
21 10D+2 0.00727 0.00000 -0.00078 0.00000 0.01470
22 10D-2 0.00427 0.00000 0.01430 0.00000 -0.01168
23 11D 0 0.01397 0.00000 -0.01169 0.00000 -0.07084
24 11D+1 0.00000 0.06406 0.00000 -0.06002 0.00000
25 11D-1 0.00000 -0.02576 0.00000 -0.07087 0.00000
26 11D+2 -0.01693 0.00000 0.00007 0.00000 -0.07150
27 11D-2 -0.00397 0.00000 0.06493 0.00000 0.02592
28 12D 0 -0.89518 0.00000 0.46308 0.00000 0.72065
29 12D+1 0.00000 1.90972 0.00000 0.00616 0.00000
30 12D-1 0.00000 -0.32372 0.00000 1.49581 0.00000
31 12D+2 -0.44784 0.00000 0.44365 0.00000 0.77591
32 12D-2 0.60458 0.00000 2.04444 0.00000 -0.72543
33 13F 0 0.00000 -0.01446 0.00000 -0.00470 0.00000
34 13F+1 0.00587 0.00000 -0.00103 0.00000 0.00433
35 13F-1 -0.00410 0.00000 -0.00206 0.00000 0.01249
36 13F+2 0.00000 0.01514 0.00000 -0.01214 0.00000
37 13F-2 0.00000 -0.00612 0.00000 -0.00109 0.00000
38 13F+3 -0.00308 0.00000 0.00303 0.00000 0.00951
39 13F-3 0.00682 0.00000 0.01700 0.00000 0.00995
40 14F 0 0.00000 0.13651 0.00000 0.02747 0.00000
41 14F+1 -0.01875 0.00000 0.00751 0.00000 -0.03221
42 14F-1 0.05916 0.00000 0.02425 0.00000 -0.07562
43 14F+2 0.00000 -0.15654 0.00000 0.10773 0.00000
44 14F-2 0.00000 0.05613 0.00000 -0.01563 0.00000
45 14F+3 0.00609 0.00000 -0.02604 0.00000 -0.06449
46 14F-3 -0.02026 0.00000 -0.17522 0.00000 -0.08201
47 2 H 1S 0.07641 0.00000 -0.05432 0.00000 0.02692
48 2S 0.46930 0.00000 -0.11501 0.00000 -0.02236
49 3S -2.74326 0.00000 6.23471 0.00000 -2.88110
50 4S 0.56726 0.00000 0.41378 0.00000 0.33408
51 5PX 0.01345 0.00000 -0.02013 0.00000 0.01928
52 5PY -0.01874 0.00000 -0.03548 0.00000 0.02666
53 5PZ 0.00000 -0.05411 0.00000 0.00402 0.00000
54 6PX -0.28905 0.00000 0.38477 0.00000 -0.14323
55 6PY 0.31458 0.00000 0.68118 0.00000 -0.07007
56 6PZ 0.00000 0.87219 0.00000 -0.17834 0.00000
57 7PX -0.16625 0.00000 1.37467 0.00000 -1.01165
58 7PY 0.35215 0.00000 0.64482 0.00000 0.47653
59 7PZ 0.00000 2.27751 0.00000 -0.38014 0.00000
60 8D 0 0.02093 0.00000 0.00394 0.00000 -0.00338
61 8D+1 0.00000 0.01908 0.00000 -0.01457 0.00000
62 8D-1 0.00000 -0.00823 0.00000 -0.00632 0.00000
63 8D+2 -0.01521 0.00000 0.02058 0.00000 0.00633
64 8D-2 0.00889 0.00000 0.00899 0.00000 0.01429
65 9D 0 -0.02967 0.00000 -0.04914 0.00000 -0.06583
66 9D+1 0.00000 1.13855 0.00000 -0.23292 0.00000
67 9D-1 0.00000 -0.20593 0.00000 0.21367 0.00000
68 9D+2 -0.09285 0.00000 0.15910 0.00000 -0.31845
69 9D-2 0.37530 0.00000 0.94673 0.00000 -0.10829
70 3 Cl 1S -0.00513 0.00000 -0.01852 0.00000 -0.03411
71 2S 0.08080 0.00000 -0.00535 0.00000 -0.00707
72 3S 0.08062 0.00000 -0.29641 0.00000 -0.54568
73 4S 0.05829 0.00000 -0.02575 0.00000 -0.05932
74 5S -2.13171 0.00000 0.72905 0.00000 1.99279
75 6S -6.27596 0.00000 -0.29064 0.00000 -4.04584
76 7PX -0.03349 0.00000 -0.02576 0.00000 -0.02392
77 7PY -0.06582 0.00000 -0.00842 0.00000 -0.04522
78 7PZ 0.00000 0.00705 0.00000 -0.03537 0.00000
79 8PX 0.31362 0.00000 0.04756 0.00000 0.28735
80 8PY 0.27069 0.00000 0.27853 0.00000 1.18256
81 8PZ 0.00000 -0.03803 0.00000 0.21850 0.00000
82 9PX 0.01346 0.00000 0.03061 0.00000 0.00672
83 9PY 0.07867 0.00000 -0.01184 0.00000 -0.03665
84 9PZ 0.00000 -0.00599 0.00000 0.02301 0.00000
85 10PX -0.26602 0.00000 1.38282 0.00000 -1.19341
86 10PY -4.44264 0.00000 -0.90124 0.00000 -2.33849
87 10PZ 0.00000 -0.00514 0.00000 0.87562 0.00000
88 11PX 0.48932 0.00000 0.02201 0.00000 0.03952
89 11PY -0.94443 0.00000 0.16098 0.00000 -0.65477
90 11PZ 0.00000 0.11262 0.00000 0.53262 0.00000
91 12D 0 -0.02043 0.00000 0.01116 0.00000 0.00837
92 12D+1 0.00000 0.02623 0.00000 -0.01018 0.00000
93 12D-1 0.00000 0.00988 0.00000 -0.09279 0.00000
94 12D+2 -0.04192 0.00000 -0.00887 0.00000 0.04152
95 12D-2 -0.01347 0.00000 -0.08440 0.00000 -0.00310
96 13D 0 0.07149 0.00000 0.06436 0.00000 0.10671
97 13D+1 0.00000 0.18294 0.00000 -0.00146 0.00000
98 13D-1 0.00000 0.05799 0.00000 -0.24215 0.00000
99 13D+2 0.29023 0.00000 0.08714 0.00000 0.20684
100 13D-2 -0.00630 0.00000 -0.27053 0.00000 -0.00545
101 14D 0 0.93639 0.00000 0.23767 0.00000 0.28247
102 14D+1 0.00000 -0.30892 0.00000 -0.14148 0.00000
103 14D-1 0.00000 -0.09856 0.00000 1.38899 0.00000
104 14D+2 1.11863 0.00000 0.21884 0.00000 0.66324
105 14D-2 0.20169 0.00000 1.67049 0.00000 -0.76738
106 15F 0 0.00000 -0.00200 0.00000 0.03091 0.00000
107 15F+1 -0.00018 0.00000 0.01595 0.00000 -0.00117
108 15F-1 -0.01703 0.00000 -0.01575 0.00000 -0.04098
109 15F+2 0.00000 0.00173 0.00000 0.03866 0.00000
110 15F-2 0.00000 0.00409 0.00000 -0.00091 0.00000
111 15F+3 0.00726 0.00000 0.05979 0.00000 -0.00686
112 15F-3 -0.02771 0.00000 -0.02610 0.00000 -0.03571
113 16F 0 0.00000 0.00603 0.00000 -0.15047 0.00000
114 16F+1 -0.00009 0.00000 -0.05966 0.00000 0.01083
115 16F-1 0.10541 0.00000 0.07674 0.00000 0.19687
116 16F+2 0.00000 -0.00599 0.00000 -0.19561 0.00000
117 16F-2 0.00000 0.02753 0.00000 0.02522 0.00000
118 16F+3 -0.05440 0.00000 -0.25225 0.00000 0.05086
119 16F-3 0.21741 0.00000 0.11418 0.00000 0.15565
41 42 43 44 45
V V V V V
Eigenvalues -- 0.88764 0.90060 0.91098 0.91387 0.92858
1 1 O 1S 0.04742 0.01108 0.00000 0.00000 0.01473
2 2S -0.03183 0.00780 0.00000 0.00000 -0.02000
3 3S 0.02543 -0.00158 0.00000 0.00000 -0.00450
4 4S -4.19102 0.02191 0.00000 0.00000 0.06923
5 5S -2.93945 -0.45284 0.00000 0.00000 -0.95904
6 6PX -0.02709 -0.02716 0.00000 0.00000 -0.04409
7 6PY -0.02564 0.00562 0.00000 0.00000 -0.00966
8 6PZ 0.00000 0.00000 -0.15166 -0.02854 0.00000
9 7PX 0.21780 -0.05028 0.00000 0.00000 -0.11061
10 7PY -0.15912 -0.06230 0.00000 0.00000 -0.06594
11 7PZ 0.00000 0.00000 -0.40166 -0.09116 0.00000
12 8PX 3.81904 -0.10392 0.00000 0.00000 -0.07313
13 8PY -0.55715 0.85114 0.00000 0.00000 1.21620
14 8PZ 0.00000 0.00000 2.26716 -0.15236 0.00000
15 9PX 0.09484 0.26365 0.00000 0.00000 -0.37114
16 9PY -0.08814 0.31484 0.00000 0.00000 0.50054
17 9PZ 0.00000 0.00000 0.15730 0.09972 0.00000
18 10D 0 -0.00175 -0.00337 0.00000 0.00000 -0.01171
19 10D+1 0.00000 0.00000 0.02811 -0.01297 0.00000
20 10D-1 0.00000 0.00000 -0.00256 0.00325 0.00000
21 10D+2 0.00177 -0.00943 0.00000 0.00000 0.00342
22 10D-2 -0.00410 -0.00842 0.00000 0.00000 0.00143
23 11D 0 0.10762 0.01757 0.00000 0.00000 0.06293
24 11D+1 0.00000 0.00000 -0.14131 0.05333 0.00000
25 11D-1 0.00000 0.00000 -0.01969 -0.02841 0.00000
26 11D+2 -0.11494 -0.01063 0.00000 0.00000 -0.02687
27 11D-2 0.09139 0.02720 0.00000 0.00000 -0.00112
28 12D 0 1.47853 0.29335 0.00000 0.00000 -0.41615
29 12D+1 0.00000 0.00000 -0.00369 -0.50969 0.00000
30 12D-1 0.00000 0.00000 -0.06594 -0.46158 0.00000
31 12D+2 -1.21568 0.21878 0.00000 0.00000 0.55281
32 12D-2 0.70899 -0.95557 0.00000 0.00000 -0.33953
33 13F 0 0.00000 0.00000 0.00659 0.00063 0.00000
34 13F+1 0.01591 0.01345 0.00000 0.00000 -0.00748
35 13F-1 0.00114 0.00284 0.00000 0.00000 0.00849
36 13F+2 0.00000 0.00000 -0.00381 -0.00952 0.00000
37 13F-2 0.00000 0.00000 0.00263 -0.02092 0.00000
38 13F+3 -0.00217 0.02074 0.00000 0.00000 0.00712
39 13F-3 0.00483 -0.01339 0.00000 0.00000 -0.00494
40 14F 0 0.00000 0.00000 -0.07960 -0.02635 0.00000
41 14F+1 -0.18486 -0.07123 0.00000 0.00000 0.03267
42 14F-1 -0.00422 -0.03793 0.00000 0.00000 -0.06436
43 14F+2 0.00000 0.00000 0.04822 0.05010 0.00000
44 14F-2 0.00000 0.00000 -0.02924 0.09496 0.00000
45 14F+3 0.10953 -0.06687 0.00000 0.00000 -0.01686
46 14F-3 -0.13511 0.08536 0.00000 0.00000 0.01169
47 2 H 1S 0.02757 -0.04855 0.00000 0.00000 0.01256
48 2S 5.77697 -0.78250 0.00000 0.00000 -0.98737
49 3S 0.79743 1.12433 0.00000 0.00000 -0.07813
50 4S 0.10301 0.22313 0.00000 0.00000 -0.02526
51 5PX 0.05717 0.00490 0.00000 0.00000 0.00322
52 5PY -0.02037 0.02853 0.00000 0.00000 0.00362
53 5PZ 0.00000 0.00000 0.00204 0.01226 0.00000
54 6PX 0.93249 0.03119 0.00000 0.00000 0.10547
55 6PY -0.15660 -0.43839 0.00000 0.00000 -0.07968
56 6PZ 0.00000 0.00000 -0.38954 -0.19721 0.00000
57 7PX 0.43056 -0.23042 0.00000 0.00000 -0.02982
58 7PY 0.82949 -0.93864 0.00000 0.00000 -0.49304
59 7PZ 0.00000 0.00000 -0.68477 0.05921 0.00000
60 8D 0 -0.01000 0.01645 0.00000 0.00000 -0.01533
61 8D+1 0.00000 0.00000 -0.01939 -0.03010 0.00000
62 8D-1 0.00000 0.00000 0.00530 -0.03061 0.00000
63 8D+2 0.04013 0.01684 0.00000 0.00000 0.02402
64 8D-2 -0.02381 -0.03552 0.00000 0.00000 -0.00595
65 9D 0 -0.50547 -0.78155 0.00000 0.00000 0.22015
66 9D+1 0.00000 0.00000 -0.90845 0.70410 0.00000
67 9D-1 0.00000 0.00000 0.13678 0.90420 0.00000
68 9D+2 0.22716 -0.66205 0.00000 0.00000 -0.41267
69 9D-2 0.27988 0.32340 0.00000 0.00000 -0.22906
70 3 Cl 1S -0.00422 -0.03127 0.00000 0.00000 -0.01415
71 2S -0.03738 -0.03024 0.00000 0.00000 -0.02761
72 3S -0.14319 -0.55192 0.00000 0.00000 -0.27800
73 4S -0.05048 -0.06358 0.00000 0.00000 -0.04518
74 5S 0.54888 1.33524 0.00000 0.00000 1.00356
75 6S 1.42667 -0.92629 0.00000 0.00000 0.75977
76 7PX 0.00257 -0.00297 0.00000 0.00000 -0.00593
77 7PY 0.00602 0.03956 0.00000 0.00000 0.02044
78 7PZ 0.00000 0.00000 0.00141 0.01425 0.00000
79 8PX 0.00075 -0.25107 0.00000 0.00000 0.03598
80 8PY 0.10732 -0.02101 0.00000 0.00000 0.06219
81 8PZ 0.00000 0.00000 0.02569 -0.25165 0.00000
82 9PX -0.00073 0.03432 0.00000 0.00000 0.00360
83 9PY -0.03539 -0.05387 0.00000 0.00000 -0.03695
84 9PZ 0.00000 0.00000 -0.00083 0.00651 0.00000
85 10PX -0.37920 0.35445 0.00000 0.00000 -0.02236
86 10PY 0.80324 0.23271 0.00000 0.00000 0.85547
87 10PZ 0.00000 0.00000 -0.43766 0.28323 0.00000
88 11PX -0.08250 0.09125 0.00000 0.00000 0.17136
89 11PY 0.45215 -0.29568 0.00000 0.00000 0.14203
90 11PZ 0.00000 0.00000 -0.05470 -0.12859 0.00000
91 12D 0 0.07413 -0.04294 0.00000 0.00000 0.14641
92 12D+1 0.00000 0.00000 -0.06661 0.00445 0.00000
93 12D-1 0.00000 0.00000 0.14029 0.11616 0.00000
94 12D+2 -0.04575 -0.01198 0.00000 0.00000 -0.08619
95 12D-2 0.04129 -0.00969 0.00000 0.00000 -0.02950
96 13D 0 0.26139 -0.27316 0.00000 0.00000 0.78893
97 13D+1 0.00000 0.00000 -0.35398 0.13896 0.00000
98 13D-1 0.00000 0.00000 0.63833 0.41132 0.00000
99 13D+2 -0.42067 -0.00156 0.00000 0.00000 -0.59166
100 13D-2 0.10930 -0.24061 0.00000 0.00000 -0.10507
101 14D 0 -0.64181 0.35385 0.00000 0.00000 -0.72106
102 14D+1 0.00000 0.00000 0.13925 -0.19039 0.00000
103 14D-1 0.00000 0.00000 -1.04363 -0.27718 0.00000
104 14D+2 0.20505 -0.37111 0.00000 0.00000 0.03129
105 14D-2 -0.41017 0.28848 0.00000 0.00000 0.04626
106 15F 0 0.00000 0.00000 -0.00324 -0.03685 0.00000
107 15F+1 -0.03113 -0.00390 0.00000 0.00000 0.02459
108 15F-1 -0.00196 -0.02008 0.00000 0.00000 -0.01084
109 15F+2 0.00000 0.00000 -0.02712 0.00276 0.00000
110 15F-2 0.00000 0.00000 -0.00545 -0.01147 0.00000
111 15F+3 -0.00979 0.03291 0.00000 0.00000 0.00850
112 15F-3 -0.02045 -0.00957 0.00000 0.00000 -0.00642
113 16F 0 0.00000 0.00000 0.00370 0.20751 0.00000
114 16F+1 0.16282 0.07393 0.00000 0.00000 -0.12870
115 16F-1 -0.05425 0.06654 0.00000 0.00000 0.03550
116 16F+2 0.00000 0.00000 0.11999 -0.02173 0.00000
117 16F-2 0.00000 0.00000 0.03666 0.10280 0.00000
118 16F+3 0.03905 -0.04833 0.00000 0.00000 -0.03140
119 16F-3 -0.02701 0.11330 0.00000 0.00000 -0.01277
46 47 48 49 50
V V V V V
Eigenvalues -- 0.93077 0.94941 0.97099 1.00560 1.00764
1 1 O 1S 0.00000 0.00264 -0.04384 -0.08740 0.00000
2 2S 0.00000 0.03798 0.01112 0.10868 0.00000
3 3S 0.00000 0.04372 -0.03761 0.03123 0.00000
4 4S 0.00000 -3.83116 5.69767 -3.42908 0.00000
5 5S 0.00000 -5.67948 10.46334 -1.72602 0.00000
6 6PX 0.00000 -0.17167 0.16717 -0.12016 0.00000
7 6PY 0.00000 0.02692 0.05399 0.03933 0.00000
8 6PZ -0.03104 0.00000 0.00000 0.00000 -0.08445
9 7PX 0.00000 -0.03867 -0.08185 0.11695 0.00000
10 7PY 0.00000 -0.03959 0.31521 0.05723 0.00000
11 7PZ -0.06567 0.00000 0.00000 0.00000 -0.25827
12 8PX 0.00000 3.40748 -3.71079 -1.85835 0.00000
13 8PY 0.00000 -1.91386 -3.27961 -0.08981 0.00000
14 8PZ 1.43140 0.00000 0.00000 0.00000 -0.39720
15 9PX 0.00000 1.78790 -0.41272 -0.00953 0.00000
16 9PY 0.00000 -0.94340 -2.10209 -0.62013 0.00000
17 9PZ 0.72346 0.00000 0.00000 0.00000 -0.30680
18 10D 0 0.00000 -0.01098 0.01602 0.00283 0.00000
19 10D+1 0.00860 0.00000 0.00000 0.00000 -0.01173
20 10D-1 -0.00408 0.00000 0.00000 0.00000 0.01511
21 10D+2 0.00000 0.00942 -0.00870 -0.00371 0.00000
22 10D-2 0.00000 -0.01158 -0.01948 0.00030 0.00000
23 11D 0 0.00000 0.17445 -0.22111 0.00473 0.00000
24 11D+1 -0.07113 0.00000 0.00000 0.00000 0.03828
25 11D-1 0.02355 0.00000 0.00000 0.00000 -0.08772
26 11D+2 0.00000 -0.16551 0.22080 -0.02076 0.00000
27 11D-2 0.00000 0.14269 -0.00917 0.04427 0.00000
28 12D 0 0.00000 0.09394 -0.63664 -0.85397 0.00000
29 12D+1 -0.38229 0.00000 0.00000 0.00000 -0.02730
30 12D-1 -0.12473 0.00000 0.00000 0.00000 1.07795
31 12D+2 0.00000 -0.23208 0.07318 1.24478 0.00000
32 12D-2 0.00000 0.30584 -0.21264 -0.62671 0.00000
33 13F 0 0.00577 0.00000 0.00000 0.00000 -0.00646
34 13F+1 0.00000 -0.00929 0.00573 -0.00680 0.00000
35 13F-1 0.00000 0.00173 -0.01126 -0.00153 0.00000
36 13F+2 -0.00353 0.00000 0.00000 0.00000 0.00210
37 13F-2 0.00407 0.00000 0.00000 0.00000 0.01783
38 13F+3 0.00000 0.01526 -0.00273 0.01611 0.00000
39 13F-3 0.00000 0.00099 0.00130 -0.01144 0.00000
40 14F 0 -0.05180 0.00000 0.00000 0.00000 0.01691
41 14F+1 0.00000 -0.04755 0.07372 0.10244 0.00000
42 14F-1 0.00000 0.00881 0.08517 0.00489 0.00000
43 14F+2 0.03831 0.00000 0.00000 0.00000 0.00990
44 14F-2 -0.04273 0.00000 0.00000 0.00000 -0.09857
45 14F+3 0.00000 -0.04338 -0.14372 -0.14109 0.00000
46 14F-3 0.00000 -0.12191 0.11197 0.11165 0.00000
47 2 H 1S 0.00000 -0.05542 0.05127 -0.13898 0.00000
48 2S 0.00000 2.65738 -3.27767 -3.01430 0.00000
49 3S 0.00000 6.05259 -7.03852 5.83501 0.00000
50 4S 0.00000 0.36156 -0.18589 0.52776 0.00000
51 5PX 0.00000 0.02881 -0.04858 -0.05007 0.00000
52 5PY 0.00000 -0.02365 -0.01693 0.00967 0.00000
53 5PZ 0.00970 0.00000 0.00000 0.00000 0.00341
54 6PX 0.00000 1.50531 -1.44568 0.58916 0.00000
55 6PY 0.00000 -0.03816 0.75189 -0.03711 0.00000
56 6PZ -0.22818 0.00000 0.00000 0.00000 -0.12749
57 7PX 0.00000 1.65495 -1.47855 3.63238 0.00000
58 7PY 0.00000 1.76796 2.28125 -0.79722 0.00000
59 7PZ -1.41321 0.00000 0.00000 0.00000 0.55254
60 8D 0 0.00000 -0.05701 0.04728 0.00479 0.00000
61 8D+1 -0.00038 0.00000 0.00000 0.00000 -0.02763
62 8D-1 -0.00521 0.00000 0.00000 0.00000 0.02965
63 8D+2 0.00000 0.06445 -0.08203 0.01596 0.00000
64 8D-2 0.00000 -0.02613 0.03671 0.00084 0.00000
65 9D 0 0.00000 0.22442 0.27272 -1.23883 0.00000
66 9D+1 -0.84686 0.00000 0.00000 0.00000 0.64356
67 9D-1 0.29544 0.00000 0.00000 0.00000 -1.02018
68 9D+2 0.00000 0.70809 0.34957 1.45820 0.00000
69 9D-2 0.00000 0.73481 1.30129 -0.63953 0.00000
70 3 Cl 1S 0.00000 -0.01208 0.01594 0.00469 0.00000
71 2S 0.00000 -0.05193 0.05060 0.02296 0.00000
72 3S 0.00000 -0.28873 0.36541 0.12175 0.00000
73 4S 0.00000 -0.04203 0.12989 0.03307 0.00000
74 5S 0.00000 0.51667 -2.42738 -0.57685 0.00000
75 6S 0.00000 0.64899 -4.02906 -0.96681 0.00000
76 7PX 0.00000 0.00102 0.00349 0.00450 0.00000
77 7PY 0.00000 0.00184 -0.04390 -0.00809 0.00000
78 7PZ -0.00084 0.00000 0.00000 0.00000 -0.01023
79 8PX 0.00000 -0.00341 0.02729 0.05634 0.00000
80 8PY 0.00000 -0.00405 -0.45118 0.00487 0.00000
81 8PZ -0.03501 0.00000 0.00000 0.00000 0.23101
82 9PX 0.00000 0.01210 -0.00011 -0.01545 0.00000
83 9PY 0.00000 -0.01584 0.12473 0.02063 0.00000
84 9PZ 0.00693 0.00000 0.00000 0.00000 -0.00801
85 10PX 0.00000 -0.98161 -0.66836 0.08590 0.00000
86 10PY 0.00000 0.31199 -2.38923 -0.40796 0.00000
87 10PZ -0.12109 0.00000 0.00000 0.00000 0.08463
88 11PX 0.00000 -0.61174 -0.27043 0.06195 0.00000
89 11PY 0.00000 0.35555 -0.87357 -0.06639 0.00000
90 11PZ -0.12270 0.00000 0.00000 0.00000 0.02763
91 12D 0 0.00000 0.00443 0.05207 0.04797 0.00000
92 12D+1 0.19019 0.00000 0.00000 0.00000 0.06832
93 12D-1 0.02269 0.00000 0.00000 0.00000 0.05433
94 12D+2 0.00000 0.02090 -0.06894 0.02972 0.00000
95 12D-2 0.00000 0.18627 0.05079 -0.04702 0.00000
96 13D 0 0.00000 -0.08966 0.52300 0.32357 0.00000
97 13D+1 1.07954 0.00000 0.00000 0.00000 0.27353
98 13D-1 0.03633 0.00000 0.00000 0.00000 0.52839
99 13D+2 0.00000 0.08111 0.19889 0.12928 0.00000
100 13D-2 0.00000 0.63353 0.10214 -0.14771 0.00000
101 14D 0 0.00000 0.01026 -0.00323 -0.30136 0.00000
102 14D+1 -1.03982 0.00000 0.00000 0.00000 0.04097
103 14D-1 -0.18768 0.00000 0.00000 0.00000 -0.28188
104 14D+2 0.00000 -0.09662 0.84277 -0.17205 0.00000
105 14D-2 0.00000 -1.48871 -0.50640 0.09933 0.00000
106 15F 0 0.00155 0.00000 0.00000 0.00000 -0.00147
107 15F+1 0.00000 -0.00610 -0.02140 0.00883 0.00000
108 15F-1 0.00000 0.00267 0.03165 0.01206 0.00000
109 15F+2 -0.00775 0.00000 0.00000 0.00000 0.00219
110 15F-2 0.00316 0.00000 0.00000 0.00000 0.03253
111 15F+3 0.00000 -0.03958 -0.01719 0.01175 0.00000
112 15F-3 0.00000 -0.02796 -0.00367 0.01987 0.00000
113 16F 0 0.00935 0.00000 0.00000 0.00000 -0.05558
114 16F+1 0.00000 0.05171 0.11393 -0.05475 0.00000
115 16F-1 0.00000 -0.07567 0.00788 -0.00616 0.00000
116 16F+2 0.04145 0.00000 0.00000 0.00000 -0.04905
117 16F-2 0.03625 0.00000 0.00000 0.00000 -0.26147
118 16F+3 0.00000 0.24732 0.09240 -0.01572 0.00000
119 16F-3 0.00000 0.10667 0.22937 -0.09263 0.00000
51 52 53 54 55
V V V V V
Eigenvalues -- 1.04228 1.12583 1.14902 1.22040 1.23374
1 1 O 1S -0.02270 0.00000 -0.01088 0.00000 -0.02416
2 2S 0.12361 0.00000 -0.00400 0.00000 0.08357
3 3S 0.04166 0.00000 -0.02923 0.00000 0.01619
4 4S -0.43584 0.00000 2.26000 0.00000 0.38255
5 5S -0.21103 0.00000 3.89908 0.00000 0.70460
6 6PX 0.04395 0.00000 0.07491 0.00000 -0.00602
7 6PY -0.17995 0.00000 0.03043 0.00000 0.04471
8 6PZ 0.00000 -0.14763 0.00000 0.07456 0.00000
9 7PX 0.02823 0.00000 0.01989 0.00000 0.03833
10 7PY -0.15411 0.00000 0.13014 0.00000 0.18210
11 7PZ 0.00000 -0.55077 0.00000 0.28625 0.00000
12 8PX 0.59171 0.00000 -2.49968 0.00000 -0.65744
13 8PY -0.30080 0.00000 0.23588 0.00000 -0.96274
14 8PZ 0.00000 1.58101 0.00000 0.01091 0.00000
15 9PX -0.08357 0.00000 -0.29651 0.00000 -0.03109
16 9PY -0.17631 0.00000 -0.58155 0.00000 -0.35311
17 9PZ 0.00000 -0.21683 0.00000 0.01172 0.00000
18 10D 0 0.00165 0.00000 0.00070 0.00000 -0.00176
19 10D+1 0.00000 0.00615 0.00000 0.01019 0.00000
20 10D-1 0.00000 -0.01812 0.00000 0.00565 0.00000
21 10D+2 0.00865 0.00000 -0.01393 0.00000 0.00439
22 10D-2 0.00648 0.00000 0.01314 0.00000 0.00583
23 11D 0 0.04068 0.00000 -0.06663 0.00000 0.00692
24 11D+1 0.00000 -0.03928 0.00000 -0.03378 0.00000
25 11D-1 0.00000 0.09665 0.00000 -0.02899 0.00000
26 11D+2 0.06954 0.00000 0.15109 0.00000 -0.03225
27 11D-2 -0.03592 0.00000 -0.12224 0.00000 -0.01292
28 12D 0 -0.30479 0.00000 -0.64219 0.00000 -0.86000
29 12D+1 0.00000 -0.30580 0.00000 0.14215 0.00000
30 12D-1 0.00000 -0.94323 0.00000 0.58112 0.00000
31 12D+2 -1.34196 0.00000 -0.08452 0.00000 -0.00001
32 12D-2 0.06330 0.00000 0.42340 0.00000 0.27130
33 13F 0 0.00000 0.00083 0.00000 0.00076 0.00000
34 13F+1 0.00256 0.00000 0.00563 0.00000 -0.00956
35 13F-1 -0.01566 0.00000 0.00054 0.00000 -0.00181
36 13F+2 0.00000 0.00165 0.00000 -0.00089 0.00000
37 13F-2 0.00000 -0.00200 0.00000 0.00571 0.00000
38 13F+3 -0.00765 0.00000 -0.01499 0.00000 0.00167
39 13F-3 -0.02141 0.00000 0.00860 0.00000 -0.00546
40 14F 0 0.00000 -0.02541 0.00000 -0.00818 0.00000
41 14F+1 -0.02894 0.00000 0.03791 0.00000 0.06028
42 14F-1 0.09393 0.00000 -0.02652 0.00000 0.02727
43 14F+2 0.00000 0.06467 0.00000 -0.01015 0.00000
44 14F-2 0.00000 -0.00928 0.00000 -0.02844 0.00000
45 14F+3 0.07132 0.00000 -0.01491 0.00000 -0.02946
46 14F-3 0.15498 0.00000 -0.01220 0.00000 0.03207
47 2 H 1S 0.03370 0.00000 0.00647 0.00000 -0.01992
48 2S 0.98347 0.00000 -2.07668 0.00000 -1.02214
49 3S -1.02392 0.00000 -3.67389 0.00000 1.27273
50 4S -0.16447 0.00000 0.02766 0.00000 0.15086
51 5PX 0.00573 0.00000 -0.03392 0.00000 0.00131
52 5PY -0.01660 0.00000 0.00737 0.00000 -0.01140
53 5PZ 0.00000 0.01445 0.00000 0.01175 0.00000
54 6PX -0.15420 0.00000 -0.88585 0.00000 0.00172
55 6PY -0.21907 0.00000 0.23701 0.00000 0.21816
56 6PZ 0.00000 -0.46590 0.00000 -0.24691 0.00000
57 7PX -0.60853 0.00000 -0.83168 0.00000 0.72306
58 7PY -0.02147 0.00000 0.46575 0.00000 -0.37064
59 7PZ 0.00000 0.02032 0.00000 -0.11446 0.00000
60 8D 0 0.00434 0.00000 0.04062 0.00000 -0.00658
61 8D+1 0.00000 -0.04761 0.00000 0.01263 0.00000
62 8D-1 0.00000 0.01099 0.00000 0.00841 0.00000
63 8D+2 -0.00788 0.00000 -0.04129 0.00000 0.01696
64 8D-2 -0.02366 0.00000 0.03694 0.00000 0.01638
65 9D 0 0.22466 0.00000 -0.05347 0.00000 0.16909
66 9D+1 0.00000 0.14170 0.00000 -0.60616 0.00000
67 9D-1 0.00000 0.09452 0.00000 -0.23523 0.00000
68 9D+2 -0.33745 0.00000 0.01265 0.00000 0.01237
69 9D-2 0.01746 0.00000 -0.34336 0.00000 -0.38329
70 3 Cl 1S -0.01433 0.00000 -0.05020 0.00000 -0.00599
71 2S -0.06324 0.00000 -0.10896 0.00000 0.01050
72 3S -0.33022 0.00000 -0.99936 0.00000 -0.06760
73 4S 0.03087 0.00000 -0.07864 0.00000 0.03856
74 5S -1.18507 0.00000 0.99004 0.00000 -1.17766
75 6S 1.54123 0.00000 -1.32547 0.00000 -0.97722
76 7PX 0.00026 0.00000 -0.02164 0.00000 -0.00737
77 7PY 0.03581 0.00000 0.01238 0.00000 -0.00313
78 7PZ 0.00000 0.01607 0.00000 -0.01062 0.00000
79 8PX -0.04952 0.00000 0.24630 0.00000 0.08862
80 8PY -0.90121 0.00000 -0.55080 0.00000 -0.48675
81 8PZ 0.00000 -0.05128 0.00000 0.06351 0.00000
82 9PX 0.00473 0.00000 0.01165 0.00000 0.00245
83 9PY -0.00713 0.00000 0.03586 0.00000 0.05916
84 9PZ 0.00000 -0.01961 0.00000 0.01271 0.00000
85 10PX 0.08467 0.00000 0.03945 0.00000 0.27146
86 10PY 0.83605 0.00000 0.47777 0.00000 -0.82044
87 10PZ 0.00000 -0.84141 0.00000 0.27284 0.00000
88 11PX 0.00033 0.00000 -0.09743 0.00000 -0.00315
89 11PY 0.62758 0.00000 -0.36833 0.00000 -0.18332
90 11PZ 0.00000 0.21848 0.00000 -0.06029 0.00000
91 12D 0 0.13479 0.00000 -0.02583 0.00000 -0.00873
92 12D+1 0.00000 -0.00068 0.00000 -0.00754 0.00000
93 12D-1 0.00000 -0.08586 0.00000 0.02728 0.00000
94 12D+2 0.22122 0.00000 -0.02528 0.00000 -0.02366
95 12D-2 0.00729 0.00000 0.05781 0.00000 0.00900
96 13D 0 0.64365 0.00000 0.07625 0.00000 0.16993
97 13D+1 0.00000 0.03162 0.00000 -0.03851 0.00000
98 13D-1 0.00000 -0.67148 0.00000 0.25101 0.00000
99 13D+2 1.12045 0.00000 0.09406 0.00000 0.18440
100 13D-2 -0.00243 0.00000 0.57216 0.00000 0.20801
101 14D 0 -0.80429 0.00000 -0.15053 0.00000 0.12377
102 14D+1 0.00000 0.00065 0.00000 0.02442 0.00000
103 14D-1 0.00000 -0.17593 0.00000 0.02669 0.00000
104 14D+2 -1.36752 0.00000 -0.12134 0.00000 0.15206
105 14D-2 0.06407 0.00000 -0.24915 0.00000 0.04583
106 15F 0 0.00000 -0.04656 0.00000 -0.12946 0.00000
107 15F+1 -0.00719 0.00000 0.06645 0.00000 -0.14798
108 15F-1 0.05542 0.00000 -0.07711 0.00000 -0.05712
109 15F+2 0.00000 0.06469 0.00000 0.08460 0.00000
110 15F-2 0.00000 -0.00872 0.00000 0.04713 0.00000
111 15F+3 -0.00609 0.00000 -0.02972 0.00000 0.03650
112 15F-3 0.06484 0.00000 -0.01633 0.00000 0.03461
113 16F 0 0.00000 0.25871 0.00000 0.81529 0.00000
114 16F+1 0.04088 0.00000 -0.42599 0.00000 0.92511
115 16F-1 -0.22815 0.00000 0.53698 0.00000 0.49673
116 16F+2 0.00000 -0.38854 0.00000 -0.52494 0.00000
117 16F-2 0.00000 0.05799 0.00000 -0.29709 0.00000
118 16F+3 0.01250 0.00000 0.10457 0.00000 -0.25460
119 16F-3 -0.22824 0.00000 0.11018 0.00000 -0.09041
56 57 58 59 60
V V V V V
Eigenvalues -- 1.30831 1.34344 1.41096 1.41698 1.51113
1 1 O 1S 0.01614 -0.00577 -0.01484 0.00000 0.00000
2 2S -0.07664 0.01992 0.08829 0.00000 0.00000
3 3S -0.00092 0.01327 0.06954 0.00000 0.00000
4 4S -1.86551 -1.39390 -3.28477 0.00000 0.00000
5 5S -0.88977 1.12093 -1.18329 0.00000 0.00000
6 6PX -0.03759 0.00507 -0.00913 0.00000 0.00000
7 6PY -0.03433 0.05909 0.11079 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.01175 0.04742
9 7PX 0.01696 0.15941 0.32809 0.00000 0.00000
10 7PY -0.15117 0.21573 0.58824 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.04850 0.33683
12 8PX 1.56085 2.48582 7.65333 0.00000 0.00000
13 8PY -1.02426 -0.38134 -7.55421 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 -0.14659 -0.49773
15 9PX 0.33340 0.27684 1.46953 0.00000 0.00000
16 9PY -0.35522 -0.50566 -1.41356 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 -0.05388 -0.05481
18 10D 0 -0.01270 -0.00008 -0.00221 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.00000 -0.00750 0.01277
20 10D-1 0.00000 0.00000 0.00000 0.00722 -0.01191
21 10D+2 -0.00971 0.01639 0.04536 0.00000 0.00000
22 10D-2 -0.03031 0.00676 -0.01280 0.00000 0.00000
23 11D 0 0.10575 0.00267 0.10662 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.03295 0.00510
25 11D-1 0.00000 0.00000 0.00000 -0.01801 -0.09386
26 11D+2 0.00460 -0.10643 -0.30146 0.00000 0.00000
27 11D-2 0.09843 -0.03095 0.15825 0.00000 0.00000
28 12D 0 -0.28381 0.12562 0.32358 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 -0.67722 -1.05514
30 12D-1 0.00000 0.00000 0.00000 0.85731 1.83627
31 12D+2 -0.94977 -2.22627 -3.70558 0.00000 0.00000
32 12D-2 0.02931 -0.64467 0.42679 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 -0.00168 -0.00516
34 13F+1 -0.00803 -0.00253 -0.00315 0.00000 0.00000
35 13F-1 0.00191 0.00134 -0.01807 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00265 -0.02594
37 13F-2 0.00000 0.00000 0.00000 0.00584 0.00636
38 13F+3 -0.00758 -0.01668 0.01129 0.00000 0.00000
39 13F-3 0.01440 -0.01469 -0.02951 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 -0.01058 0.01768
41 14F+1 0.01266 -0.03017 -0.13783 0.00000 0.00000
42 14F-1 -0.02922 -0.00232 0.20862 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00300 0.22246
44 14F-2 0.00000 0.00000 0.00000 -0.05255 -0.06259
45 14F+3 0.10933 0.21147 0.09881 0.00000 0.00000
46 14F-3 -0.13043 0.14099 0.13092 0.00000 0.00000
47 2 H 1S 0.04119 -0.00154 0.09364 0.00000 0.00000
48 2S 2.57347 3.26172 8.40773 0.00000 0.00000
49 3S -0.05249 0.19234 9.48444 0.00000 0.00000
50 4S 0.05906 0.12567 0.60182 0.00000 0.00000
51 5PX 0.01564 0.03054 0.05870 0.00000 0.00000
52 5PY 0.01241 0.03048 -0.02914 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 0.01847 0.03834
54 6PX 0.64856 0.25615 2.17333 0.00000 0.00000
55 6PY 0.02931 -1.46531 -0.54218 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 -0.30277 -1.41887
57 7PX -0.15399 -0.01040 1.70047 0.00000 0.00000
58 7PY 1.27248 -0.29152 -1.17715 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 0.21246 -0.90853
60 8D 0 -0.03367 -0.02800 -0.06870 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 -0.00778 -0.02324
62 8D-1 0.00000 0.00000 0.00000 0.04104 -0.00439
63 8D+2 0.00349 -0.02112 0.10919 0.00000 0.00000
64 8D-2 -0.01918 -0.03635 -0.05144 0.00000 0.00000
65 9D 0 0.70658 0.49124 0.25749 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 -0.01658 -0.89149
67 9D-1 0.00000 0.00000 0.00000 -0.99241 0.13707
68 9D+2 0.94960 0.14075 -0.69650 0.00000 0.00000
69 9D-2 0.68970 -1.17090 0.29040 0.00000 0.00000
70 3 Cl 1S -0.03679 -0.02010 0.04300 0.00000 0.00000
71 2S -0.13425 -0.04286 0.17903 0.00000 0.00000
72 3S -0.85106 -0.39869 1.07249 0.00000 0.00000
73 4S -0.13236 -0.00687 0.32637 0.00000 0.00000
74 5S 1.32323 -1.18997 -7.61655 0.00000 0.00000
75 6S 0.26364 -1.02691 -4.19512 0.00000 0.00000
76 7PX 0.04025 0.00350 0.03360 0.00000 0.00000
77 7PY -0.00300 -0.00235 -0.02669 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 -0.01552 -0.00793
79 8PX -0.09290 -0.02270 -0.31374 0.00000 0.00000
80 8PY -0.18449 -0.68410 -1.42389 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.14854 -0.01729
82 9PX -0.06706 -0.00374 -0.03853 0.00000 0.00000
83 9PY -0.00354 0.05635 0.17059 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.01973 0.00199
85 10PX -0.75535 -0.65025 0.28264 0.00000 0.00000
86 10PY 0.86017 -0.82913 -6.21629 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.06453 1.69874
88 11PX 0.01096 -0.00227 0.04114 0.00000 0.00000
89 11PY 0.03982 -0.19763 -0.58125 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 -0.04742 0.02276
91 12D 0 -0.01662 0.00309 -0.02781 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.01082 0.00566
93 12D-1 0.00000 0.00000 0.00000 0.01956 0.04262
94 12D+2 0.01452 -0.02299 -0.03222 0.00000 0.00000
95 12D-2 -0.08698 -0.00544 -0.04375 0.00000 0.00000
96 13D 0 -0.19496 0.16640 0.39183 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 -0.05033 0.03885
98 13D-1 0.00000 0.00000 0.00000 0.22336 0.37142
99 13D+2 -0.00205 0.22647 0.92843 0.00000 0.00000
100 13D-2 -0.60603 -0.17362 -0.49633 0.00000 0.00000
101 14D 0 -0.01855 -0.15821 1.13935 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.50944 0.01932
103 14D-1 0.00000 0.00000 0.00000 -0.11343 1.41409
104 14D+2 -0.14095 0.51365 1.54010 0.00000 0.00000
105 14D-2 0.07947 -0.31824 0.33239 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 -0.03381 0.09841
107 15F+1 0.00986 -0.01712 0.03617 0.00000 0.00000
108 15F-1 -0.05820 0.07649 0.01024 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.01765 0.10937
110 15F-2 0.00000 0.00000 0.00000 -0.16602 -0.00768
111 15F+3 0.04043 0.02379 -0.04700 0.00000 0.00000
112 15F-3 -0.01732 -0.09607 0.08236 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.24465 -1.02167
114 16F+1 -0.12296 0.13004 -0.23123 0.00000 0.00000
115 16F-1 0.29548 -0.42160 0.44322 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 -0.11831 -1.16502
117 16F-2 0.00000 0.00000 0.00000 1.25134 0.09133
118 16F+3 -0.46249 -0.18608 0.37219 0.00000 0.00000
119 16F-3 -0.08757 0.97524 0.16831 0.00000 0.00000
61 62 63 64 65
V V V V V
Eigenvalues -- 1.53490 1.56194 1.68501 1.77893 1.90436
1 1 O 1S 0.00000 -0.02017 0.02106 -0.02733 -0.01488
2 2S 0.00000 0.15531 -0.10658 -0.02764 -0.38484
3 3S 0.00000 0.02945 -0.02701 -0.04169 -0.13219
4 4S 0.00000 1.74827 -0.86974 6.14681 10.13600
5 5S 0.00000 -1.36216 -1.57776 3.32402 9.32815
6 6PX 0.00000 -0.02215 -0.00673 -0.02091 -0.15480
7 6PY 0.00000 -0.02143 0.13454 -0.06969 0.05954
8 6PZ 0.05336 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -0.00426 -0.06510 -0.31638 -1.24398
10 7PY 0.00000 0.06492 0.63676 -0.33924 0.52302
11 7PZ 0.06704 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 -2.67024 -1.85275 -3.33472 -1.17138
13 8PY 0.00000 -4.06771 2.49257 2.56553 -3.62424
14 8PZ 4.38810 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 -0.16634 -0.40611 -0.55591 -0.99458
16 9PY 0.00000 -0.26668 1.04681 0.39917 -1.24056
17 9PZ 0.73004 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.01106 -0.00396 0.01438 0.00913
19 10D+1 0.02834 0.00000 0.00000 0.00000 0.00000
20 10D-1 -0.00346 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00000 -0.00069 -0.00607 0.01550 0.00603
22 10D-2 0.00000 -0.01338 0.00721 0.01994 0.00089
23 11D 0 0.00000 -0.03736 -0.01492 -0.08127 0.28617
24 11D+1 -0.00751 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.07361 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.02334 0.09763 0.09251 0.05619
27 11D-2 0.00000 -0.11050 -0.02376 -0.04730 -0.04186
28 12D 0 0.00000 0.16434 -0.14715 -0.25041 -0.86871
29 12D+1 -2.01169 0.00000 0.00000 0.00000 0.00000
30 12D-1 -0.58000 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.32478 0.09381 1.15181 -1.09455
32 12D-2 0.00000 3.63955 0.01361 -1.07688 -0.17635
33 13F 0 0.01429 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 -0.00367 0.00360 0.00483 0.00731
35 13F-1 0.00000 -0.00922 0.00748 -0.01452 0.00284
36 13F+2 -0.00780 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00853 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 -0.01027 -0.01507 -0.01284 -0.01379
39 13F-3 0.00000 0.00736 -0.00389 -0.01636 0.00888
40 14F 0 -0.18543 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.04872 0.02205 0.04804 -0.06128
42 14F-1 0.00000 0.11374 -0.08324 0.08081 -0.05077
43 14F+2 0.12775 0.00000 0.00000 0.00000 0.00000
44 14F-2 -0.12111 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 -0.00668 0.10919 0.07576 0.10171
46 14F-3 0.00000 -0.08800 0.03425 0.27481 -0.04646
47 2 H 1S 0.00000 0.04093 0.00614 0.01660 -0.19499
48 2S 0.00000 -1.03617 -1.76193 -4.48900 -2.29014
49 3S 0.00000 4.29500 0.32341 -1.33154 -7.63541
50 4S 0.00000 0.18741 -0.17522 0.08970 -0.09982
51 5PX 0.00000 -0.01399 -0.00521 -0.01421 0.09213
52 5PY 0.00000 -0.08128 0.03732 0.04786 -0.03748
53 5PZ 0.09367 0.00000 0.00000 0.00000 0.00000
54 6PX 0.00000 0.13217 -0.72192 -1.62664 -3.26878
55 6PY 0.00000 2.48898 -1.05773 -1.66852 0.99109
56 6PZ -2.88025 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00000 1.25026 -0.20748 -0.72574 -2.13958
58 7PY 0.00000 -0.36437 -1.54202 -1.85133 0.67321
59 7PZ -1.59879 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.04030 0.03266 0.04175 0.09389
61 8D+1 -0.06304 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.01922 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.04832 -0.01032 -0.05159 -0.11376
64 8D-2 0.00000 0.04780 0.00689 -0.03313 0.05674
65 9D 0 0.00000 -0.47676 -0.26589 -0.37075 0.75350
66 9D+1 -1.55876 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.38420 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 -0.40635 -0.83156 -0.93865 -0.74374
69 9D-2 0.00000 0.84969 -0.75469 -0.66550 0.55738
70 3 Cl 1S 0.00000 0.02756 -0.01953 0.05949 0.02157
71 2S 0.00000 0.12827 -0.07819 0.15403 0.11808
72 3S 0.00000 0.71371 -0.47477 1.31118 0.60719
73 4S 0.00000 0.19467 -0.08511 0.29991 0.22579
74 5S 0.00000 -3.21960 1.26588 -1.50179 -4.55513
75 6S 0.00000 -1.08625 1.76803 -2.62833 -3.60153
76 7PX 0.00000 -0.01871 -0.02487 -0.02153 0.01897
77 7PY 0.00000 0.00907 -0.01356 -0.00378 0.05393
78 7PZ 0.01648 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 0.14179 -0.16905 -0.27507 0.10517
80 8PY 0.00000 -0.50272 -0.17874 0.89516 -0.74230
81 8PZ -0.02401 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00677 0.05587 0.06007 -0.04965
83 9PY 0.00000 0.04235 0.02687 -0.01999 -0.07990
84 9PZ -0.02412 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00000 2.98032 1.57789 1.37655 -0.59642
86 10PY 0.00000 -2.52327 2.04988 -3.05919 -3.96080
87 10PZ -0.99027 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 0.03184 0.13693 0.27974 0.17354
89 11PY 0.00000 -0.05626 0.28893 -0.60510 -0.58574
90 11PZ -0.05491 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 -0.03882 -0.03632 0.12216 -0.02432
92 12D+1 0.00513 0.00000 0.00000 0.00000 0.00000
93 12D-1 -0.04293 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00367 -0.11603 0.12044 0.03462
95 12D-2 0.00000 0.03660 0.10839 0.13312 -0.07640
96 13D 0 0.00000 0.26450 -0.08368 0.01178 0.37208
97 13D+1 0.07989 0.00000 0.00000 0.00000 0.00000
98 13D-1 -0.31759 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.42079 -0.20484 0.00745 0.66721
100 13D-2 0.00000 0.74406 0.26350 0.07993 -0.04171
101 14D 0 0.00000 0.39972 -0.46649 1.10849 0.58313
102 14D+1 0.00178 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.76948 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.60139 -1.19669 1.07735 1.09455
105 14D-2 0.00000 2.04828 1.11457 1.07591 -0.33535
106 15F 0 -0.04278 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.02403 0.03608 0.03640 -0.01934
108 15F-1 0.00000 0.03725 0.06825 -0.08945 0.06754
109 15F+2 -0.09803 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00300 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.10166 0.10694 0.10078 -0.04208
112 15F-3 0.00000 -0.03117 0.14780 -0.03081 0.00736
113 16F 0 0.37562 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 -0.38441 -0.29013 -0.31054 0.05614
115 16F-1 0.00000 -0.03467 -0.61119 1.00867 0.08562
116 16F+2 0.88792 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.04489 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 -1.39116 -0.95239 -0.81607 0.22889
119 16F-3 0.00000 0.36486 -1.20311 0.40409 0.34205
66 67 68 69 70
V V V V V
Eigenvalues -- 2.09100 2.20146 2.26120 2.28872 2.33778
1 1 O 1S -0.01839 0.00000 0.00000 -0.00428 -0.00413
2 2S 0.97723 0.00000 0.00000 -0.02381 0.07948
3 3S 0.36405 0.00000 0.00000 -0.01667 0.02083
4 4S -2.64866 0.00000 0.00000 -0.99788 0.31813
5 5S -2.16064 0.00000 0.00000 -0.16578 -0.48187
6 6PX -0.12377 0.00000 0.00000 0.02678 -0.03733
7 6PY -0.00454 0.00000 0.00000 0.01798 0.03506
8 6PZ 0.00000 0.00122 -0.01938 0.00000 0.00000
9 7PX 0.05526 0.00000 0.00000 -0.09809 -0.10142
10 7PY -0.14178 0.00000 0.00000 0.15927 0.09890
11 7PZ 0.00000 -0.04133 -0.01029 0.00000 0.00000
12 8PX 2.41440 0.00000 0.00000 -0.70142 0.13504
13 8PY 0.70432 0.00000 0.00000 1.35574 -0.10112
14 8PZ 0.00000 -0.26525 0.16479 0.00000 0.00000
15 9PX 0.19252 0.00000 0.00000 -0.12196 -0.13727
16 9PY 0.65766 0.00000 0.00000 0.01284 0.00027
17 9PZ 0.00000 0.26309 0.23594 0.00000 0.00000
18 10D 0 0.00996 0.00000 0.00000 0.01132 0.00423
19 10D+1 0.00000 -0.00133 0.00971 0.00000 0.00000
20 10D-1 0.00000 0.00253 -0.00379 0.00000 0.00000
21 10D+2 -0.01123 0.00000 0.00000 0.00855 0.01018
22 10D-2 0.00881 0.00000 0.00000 0.01219 -0.00491
23 11D 0 -0.03462 0.00000 0.00000 0.64907 0.24895
24 11D+1 0.00000 0.35167 0.81464 0.00000 0.00000
25 11D-1 0.00000 1.05180 -0.28611 0.00000 0.00000
26 11D+2 -0.63146 0.00000 0.00000 0.54045 -0.01099
27 11D-2 0.29505 0.00000 0.00000 -0.04918 -0.80465
28 12D 0 0.45285 0.00000 0.00000 -0.79628 -0.46899
29 12D+1 0.00000 -0.03445 -0.78619 0.00000 0.00000
30 12D-1 0.00000 -0.62050 0.24766 0.00000 0.00000
31 12D+2 -0.48599 0.00000 0.00000 -0.42484 -0.34426
32 12D-2 -0.23003 0.00000 0.00000 -0.88572 0.55194
33 13F 0 0.00000 0.00735 0.06279 0.00000 0.00000
34 13F+1 -0.09637 0.00000 0.00000 0.01691 -0.00318
35 13F-1 0.00000 0.00000 0.00000 -0.01146 -0.08236
36 13F+2 0.00000 0.02090 -0.04673 0.00000 0.00000
37 13F-2 0.00000 0.03436 0.02917 0.00000 0.00000
38 13F+3 0.07369 0.00000 0.00000 0.01332 -0.01126
39 13F-3 -0.05424 0.00000 0.00000 -0.06980 0.02167
40 14F 0 0.00000 0.02383 -0.66469 0.00000 0.00000
41 14F+1 0.48063 0.00000 0.00000 -0.07412 -0.02160
42 14F-1 0.13281 0.00000 0.00000 0.01603 0.83925
43 14F+2 0.00000 -0.11755 0.47314 0.00000 0.00000
44 14F-2 0.00000 -0.39633 -0.37250 0.00000 0.00000
45 14F+3 -0.19817 0.00000 0.00000 -0.19414 -0.03936
46 14F-3 0.27292 0.00000 0.00000 0.90806 -0.13882
47 2 H 1S -0.16729 0.00000 0.00000 0.16226 -0.02721
48 2S 2.86359 0.00000 0.00000 -1.75192 -0.21460
49 3S -0.81186 0.00000 0.00000 -0.85113 0.22441
50 4S -0.22216 0.00000 0.00000 -0.10334 -0.00887
51 5PX 0.16169 0.00000 0.00000 -0.08673 0.03658
52 5PY -0.02913 0.00000 0.00000 -0.02444 0.03153
53 5PZ 0.00000 -0.00463 -0.08557 0.00000 0.00000
54 6PX -0.10308 0.00000 0.00000 -0.27890 -0.40753
55 6PY -0.27555 0.00000 0.00000 -0.52469 -0.03599
56 6PZ 0.00000 0.16320 -0.27868 0.00000 0.00000
57 7PX -0.80427 0.00000 0.00000 -0.05867 0.01406
58 7PY 0.34489 0.00000 0.00000 0.02967 -0.32966
59 7PZ 0.00000 -0.03495 -0.23943 0.00000 0.00000
60 8D 0 -0.13403 0.00000 0.00000 0.03484 0.03430
61 8D+1 0.00000 0.01189 -0.10066 0.00000 0.00000
62 8D-1 0.00000 0.04134 0.00860 0.00000 0.00000
63 8D+2 0.19815 0.00000 0.00000 -0.01474 -0.00120
64 8D-2 -0.10201 0.00000 0.00000 -0.09069 0.03965
65 9D 0 0.76073 0.00000 0.00000 -0.08847 -0.04304
66 9D+1 0.00000 0.06874 0.30415 0.00000 0.00000
67 9D-1 0.00000 -0.11363 -0.18905 0.00000 0.00000
68 9D+2 -0.67709 0.00000 0.00000 0.13884 -0.39923
69 9D-2 0.31568 0.00000 0.00000 -0.13698 -0.33072
70 3 Cl 1S -0.02555 0.00000 0.00000 -0.03710 -0.01329
71 2S -0.07921 0.00000 0.00000 -0.19261 -0.03435
72 3S -0.58883 0.00000 0.00000 -1.00160 -0.29110
73 4S -0.12190 0.00000 0.00000 -0.15807 -0.01193
74 5S 1.59642 0.00000 0.00000 1.32821 -0.61387
75 6S 2.09650 0.00000 0.00000 1.36348 0.56134
76 7PX 0.02444 0.00000 0.00000 0.03951 0.06540
77 7PY -0.05126 0.00000 0.00000 -0.24530 -0.01293
78 7PZ 0.00000 -0.10545 0.05192 0.00000 0.00000
79 8PX -0.08383 0.00000 0.00000 0.02210 0.22672
80 8PY -0.42197 0.00000 0.00000 -1.19945 -0.63344
81 8PZ 0.00000 -0.33669 0.15853 0.00000 0.00000
82 9PX -0.05420 0.00000 0.00000 -0.10039 -0.18590
83 9PY 0.16828 0.00000 0.00000 0.64134 0.05355
84 9PZ 0.00000 0.29575 -0.14549 0.00000 0.00000
85 10PX -0.39876 0.00000 0.00000 -0.48240 0.21501
86 10PY 2.01201 0.00000 0.00000 2.60953 0.30118
87 10PZ 0.00000 0.00697 -0.12084 0.00000 0.00000
88 11PX -0.05728 0.00000 0.00000 0.02377 0.05961
89 11PY 0.34672 0.00000 0.00000 0.15775 0.20706
90 11PZ 0.00000 -0.13341 -0.02731 0.00000 0.00000
91 12D 0 -0.07571 0.00000 0.00000 -0.19487 0.17181
92 12D+1 0.00000 -0.12968 -0.10025 0.00000 0.00000
93 12D-1 0.00000 0.35967 -0.16295 0.00000 0.00000
94 12D+2 -0.12655 0.00000 0.00000 0.02636 -0.40493
95 12D-2 0.01987 0.00000 0.00000 -0.01539 -0.20085
96 13D 0 0.05989 0.00000 0.00000 0.03312 0.07700
97 13D+1 0.00000 0.04966 0.06228 0.00000 0.00000
98 13D-1 0.00000 -0.19184 0.07246 0.00000 0.00000
99 13D+2 0.17151 0.00000 0.00000 -0.14883 0.54887
100 13D-2 -0.21804 0.00000 0.00000 -0.19193 0.14840
101 14D 0 -0.37855 0.00000 0.00000 -0.64457 -0.01737
102 14D+1 0.00000 -0.05443 0.05138 0.00000 0.00000
103 14D-1 0.00000 0.02008 -0.09133 0.00000 0.00000
104 14D+2 -0.68843 0.00000 0.00000 -0.96329 -0.53313
105 14D-2 -0.18233 0.00000 0.00000 -0.27610 0.07617
106 15F 0 0.00000 0.13960 -0.06009 0.00000 0.00000
107 15F+1 0.00903 0.00000 0.00000 0.00875 -0.04205
108 15F-1 -0.00068 0.00000 0.00000 0.17511 -0.02323
109 15F+2 0.00000 0.17967 -0.06009 0.00000 0.00000
110 15F-2 0.00000 0.06364 0.09732 0.00000 0.00000
111 15F+3 0.02609 0.00000 0.00000 0.00236 -0.19698
112 15F-3 -0.02522 0.00000 0.00000 0.08419 0.11223
113 16F 0 0.00000 -0.27275 0.19060 0.00000 0.00000
114 16F+1 -0.10239 0.00000 0.00000 0.05877 0.07694
115 16F-1 -0.03967 0.00000 0.00000 -0.50286 0.22452
116 16F+2 0.00000 -0.35239 0.08873 0.00000 0.00000
117 16F-2 0.00000 -0.21058 -0.09894 0.00000 0.00000
118 16F+3 0.09791 0.00000 0.00000 0.16780 0.29180
119 16F-3 -0.01868 0.00000 0.00000 -0.28615 -0.33251
71 72 73 74 75
V V V V V
Eigenvalues -- 2.37673 2.38244 2.44084 2.48044 2.50667
1 1 O 1S 0.00000 -0.00541 0.00530 0.00000 0.00079
2 2S 0.00000 -0.00852 0.62669 0.00000 0.49172
3 3S 0.00000 -0.09151 0.23799 0.00000 0.18780
4 4S 0.00000 8.37834 -0.90865 0.00000 0.81338
5 5S 0.00000 4.76631 -0.71670 0.00000 -0.66370
6 6PX 0.00000 -0.13883 -0.08208 0.00000 -0.10038
7 6PY 0.00000 0.00313 -0.01547 0.00000 0.01869
8 6PZ -0.00466 0.00000 0.00000 0.07032 0.00000
9 7PX 0.00000 -1.10716 -0.23040 0.00000 -0.46076
10 7PY 0.00000 0.22089 0.02448 0.00000 0.30964
11 7PZ -0.03674 0.00000 0.00000 0.11909 0.00000
12 8PX 0.00000 -2.20148 0.38812 0.00000 -1.69864
13 8PY 0.00000 -2.24760 3.08944 0.00000 0.74539
14 8PZ 0.45265 0.00000 0.00000 -1.23057 0.00000
15 9PX 0.00000 -0.14312 -0.06593 0.00000 -0.02264
16 9PY 0.00000 -0.61746 0.66038 0.00000 0.58610
17 9PZ 0.12847 0.00000 0.00000 -0.17217 0.00000
18 10D 0 0.00000 0.00941 -0.00820 0.00000 -0.00413
19 10D+1 0.00546 0.00000 0.00000 0.00379 0.00000
20 10D-1 0.00209 0.00000 0.00000 -0.00207 0.00000
21 10D+2 0.00000 0.01751 -0.01893 0.00000 -0.00371
22 10D-2 0.00000 0.00740 -0.00008 0.00000 -0.00284
23 11D 0 0.00000 -1.00937 -0.19408 0.00000 -0.23149
24 11D+1 0.15708 0.00000 0.00000 0.09787 0.00000
25 11D-1 0.46694 0.00000 0.00000 -0.15220 0.00000
26 11D+2 0.00000 0.53196 0.14011 0.00000 0.85474
27 11D-2 0.00000 0.03717 -0.48972 0.00000 0.05957
28 12D 0 0.00000 0.08344 0.81298 0.00000 0.14329
29 12D+1 -0.58717 0.00000 0.00000 -0.14650 0.00000
30 12D-1 -0.78087 0.00000 0.00000 1.13113 0.00000
31 12D+2 0.00000 -0.74799 0.73274 0.00000 -0.32682
32 12D-2 0.00000 -0.16475 -0.66339 0.00000 1.08418
33 13F 0 0.05291 0.00000 0.00000 -0.06071 0.00000
34 13F+1 0.00000 0.09894 0.04429 0.00000 -0.00823
35 13F-1 0.00000 -0.02838 0.03921 0.00000 -0.02664
36 13F+2 -0.01808 0.00000 0.00000 -0.08217 0.00000
37 13F-2 -0.09781 0.00000 0.00000 -0.00628 0.00000
38 13F+3 0.00000 -0.03060 0.03561 0.00000 -0.05477
39 13F-3 0.00000 -0.00365 -0.00095 0.00000 0.00225
40 14F 0 -0.47223 0.00000 0.00000 0.60377 0.00000
41 14F+1 0.00000 -0.62191 -0.47154 0.00000 0.18044
42 14F-1 0.00000 0.34209 -0.47018 0.00000 0.15288
43 14F+2 0.23566 0.00000 0.00000 0.94670 0.00000
44 14F-2 0.96438 0.00000 0.00000 0.05849 0.00000
45 14F+3 0.00000 -0.01198 -0.52968 0.00000 0.55364
46 14F-3 0.00000 0.44663 -0.18189 0.00000 -0.18639
47 2 H 1S 0.00000 0.11002 0.01538 0.00000 -0.05481
48 2S 0.00000 -4.06645 -0.71903 0.00000 -1.49257
49 3S 0.00000 -4.27643 -2.24100 0.00000 -2.39198
50 4S 0.00000 -0.12472 -0.18546 0.00000 -0.35274
51 5PX 0.00000 -0.05353 0.02630 0.00000 0.03393
52 5PY 0.00000 -0.02222 0.01780 0.00000 -0.02647
53 5PZ -0.01610 0.00000 0.00000 -0.01830 0.00000
54 6PX 0.00000 -2.93557 -0.84634 0.00000 -1.51150
55 6PY 0.00000 0.90239 -0.34549 0.00000 1.00238
56 6PZ -0.36351 0.00000 0.00000 -0.06071 0.00000
57 7PX 0.00000 -1.60618 -0.91181 0.00000 -1.07401
58 7PY 0.00000 0.51820 0.20335 0.00000 0.52375
59 7PZ -0.08320 0.00000 0.00000 -0.04898 0.00000
60 8D 0 0.00000 0.08347 -0.01425 0.00000 0.03728
61 8D+1 -0.00875 0.00000 0.00000 -0.04284 0.00000
62 8D-1 0.01879 0.00000 0.00000 0.00224 0.00000
63 8D+2 0.00000 -0.18655 0.03718 0.00000 -0.06529
64 8D-2 0.00000 0.04677 0.03601 0.00000 0.01472
65 9D 0 0.00000 0.13479 -0.02689 0.00000 0.41911
66 9D+1 0.06351 0.00000 0.00000 0.08629 0.00000
67 9D-1 0.48653 0.00000 0.00000 0.08897 0.00000
68 9D+2 0.00000 -0.56000 -0.50633 0.00000 -0.24363
69 9D-2 0.00000 0.61080 -0.16145 0.00000 0.41733
70 3 Cl 1S 0.00000 -0.00603 0.00120 0.00000 -0.02293
71 2S 0.00000 0.02482 -0.02325 0.00000 -0.08162
72 3S 0.00000 -0.03437 -0.04530 0.00000 -0.59318
73 4S 0.00000 0.13955 -0.13180 0.00000 -0.24222
74 5S 0.00000 -2.59232 2.96371 0.00000 1.80295
75 6S 0.00000 -1.64095 1.46139 0.00000 2.09162
76 7PX 0.00000 0.04345 0.21857 0.00000 -0.23821
77 7PY 0.00000 0.05671 -0.12338 0.00000 -0.22758
78 7PZ 0.02523 0.00000 0.00000 -0.38161 0.00000
79 8PX 0.00000 0.10623 0.49513 0.00000 -0.51109
80 8PY 0.00000 -0.94855 0.54992 0.00000 -0.70988
81 8PZ -0.04029 0.00000 0.00000 -0.84680 0.00000
82 9PX 0.00000 -0.11930 -0.61373 0.00000 0.68336
83 9PY 0.00000 -0.09007 0.31131 0.00000 0.60625
84 9PZ -0.06821 0.00000 0.00000 1.08685 0.00000
85 10PX 0.00000 -0.18551 -0.96237 0.00000 0.91891
86 10PY 0.00000 -2.00731 2.37587 0.00000 2.69042
87 10PZ -0.28386 0.00000 0.00000 1.56063 0.00000
88 11PX 0.00000 -0.00591 0.07513 0.00000 -0.27106
89 11PY 0.00000 -0.22081 0.04023 0.00000 0.17620
90 11PZ 0.01088 0.00000 0.00000 -0.19077 0.00000
91 12D 0 0.00000 -0.21975 0.26630 0.00000 0.56849
92 12D+1 0.50312 0.00000 0.00000 0.16191 0.00000
93 12D-1 0.08311 0.00000 0.00000 0.01786 0.00000
94 12D+2 0.00000 -0.43952 0.49430 0.00000 0.26568
95 12D-2 0.00000 0.00620 -0.12479 0.00000 -0.30094
96 13D 0 0.00000 0.63831 -0.64129 0.00000 -0.83254
97 13D+1 -0.33848 0.00000 0.00000 -0.15114 0.00000
98 13D-1 -0.20393 0.00000 0.00000 0.78088 0.00000
99 13D+2 0.00000 1.21880 -1.11138 0.00000 -0.69752
100 13D-2 0.00000 -0.09391 -0.36990 0.00000 0.82091
101 14D 0 0.00000 0.09522 -0.20708 0.00000 -0.20893
102 14D+1 0.25571 0.00000 0.00000 0.06377 0.00000
103 14D-1 -0.06775 0.00000 0.00000 0.54082 0.00000
104 14D+2 0.00000 0.22679 -0.21246 0.00000 -0.57205
105 14D-2 0.00000 0.00613 -0.43936 0.00000 0.16500
106 15F 0 0.03326 0.00000 0.00000 0.06152 0.00000
107 15F+1 0.00000 -0.04951 -0.06190 0.00000 -0.00252
108 15F-1 0.00000 0.04431 -0.05679 0.00000 0.01011
109 15F+2 0.09600 0.00000 0.00000 0.10642 0.00000
110 15F-2 -0.14427 0.00000 0.00000 -0.01234 0.00000
111 15F+3 0.00000 -0.03979 -0.21391 0.00000 0.05572
112 15F-3 0.00000 0.06447 -0.07835 0.00000 0.11890
113 16F 0 -0.05325 0.00000 0.00000 -0.41748 0.00000
114 16F+1 0.00000 0.06193 0.17181 0.00000 -0.09165
115 16F-1 0.00000 0.15653 -0.22154 0.00000 -0.30262
116 16F+2 -0.06321 0.00000 0.00000 -0.53526 0.00000
117 16F-2 0.41613 0.00000 0.00000 0.01597 0.00000
118 16F+3 0.00000 0.06256 0.61393 0.00000 -0.40578
119 16F-3 0.00000 0.25215 -0.11850 0.00000 -0.43283
76 77 78 79 80
V V V V V
Eigenvalues -- 2.53057 2.54683 2.55287 2.59660 2.61678
1 1 O 1S -0.00939 -0.00114 0.00000 0.00000 -0.00389
2 2S 0.73031 0.06458 0.00000 0.00000 0.01713
3 3S 0.43551 0.09388 0.00000 0.00000 0.01776
4 4S -11.78941 -5.39434 0.00000 0.00000 -1.28439
5 5S -4.69338 -1.99691 0.00000 0.00000 -1.19494
6 6PX 0.04359 0.04844 0.00000 0.00000 0.03371
7 6PY 0.06786 0.00722 0.00000 0.00000 -0.00803
8 6PZ 0.00000 0.00000 -0.00668 -0.02406 0.00000
9 7PX 1.21046 0.63649 0.00000 0.00000 0.32808
10 7PY -0.14694 -0.10822 0.00000 0.00000 -0.22521
11 7PZ 0.00000 0.00000 -0.00673 0.00260 0.00000
12 8PX 8.62932 4.30233 0.00000 0.00000 0.64797
13 8PY -2.02458 -1.69214 0.00000 0.00000 1.08023
14 8PZ 0.00000 0.00000 -0.06177 -0.00307 0.00000
15 9PX 0.51809 0.53866 0.00000 0.00000 0.34468
16 9PY 0.12155 -0.20477 0.00000 0.00000 0.15950
17 9PZ 0.00000 0.00000 0.18448 0.29158 0.00000
18 10D 0 -0.01505 -0.00404 0.00000 0.00000 0.00142
19 10D+1 0.00000 0.00000 0.00005 0.00016 0.00000
20 10D-1 0.00000 0.00000 0.00123 -0.01087 0.00000
21 10D+2 0.01358 0.00442 0.00000 0.00000 0.00491
22 10D-2 -0.01452 -0.00121 0.00000 0.00000 -0.00864
23 11D 0 0.72236 0.44190 0.00000 0.00000 0.08522
24 11D+1 0.00000 0.00000 0.09110 -0.13063 0.00000
25 11D-1 0.00000 0.00000 0.05836 0.41228 0.00000
26 11D+2 -0.91298 -0.50908 0.00000 0.00000 -0.52761
27 11D-2 0.59531 0.56483 0.00000 0.00000 -0.00987
28 12D 0 1.43579 0.57180 0.00000 0.00000 0.38390
29 12D+1 0.00000 0.00000 -0.26332 -0.04243 0.00000
30 12D-1 0.00000 0.00000 -0.08759 -0.01705 0.00000
31 12D+2 -2.72400 -1.22572 0.00000 0.00000 0.22780
32 12D-2 1.01162 0.03757 0.00000 0.00000 -0.35480
33 13F 0 0.00000 0.00000 -0.00012 0.01715 0.00000
34 13F+1 -0.00149 0.00019 0.00000 0.00000 0.00501
35 13F-1 -0.01780 0.02148 0.00000 0.00000 0.04484
36 13F+2 0.00000 0.00000 -0.01173 0.01581 0.00000
37 13F-2 0.00000 0.00000 -0.05748 0.00201 0.00000
38 13F+3 0.02919 0.04671 0.00000 0.00000 0.00123
39 13F-3 -0.04133 -0.03295 0.00000 0.00000 -0.02318
40 14F 0 0.00000 0.00000 0.02558 -0.12710 0.00000
41 14F+1 -0.86435 -0.38141 0.00000 0.00000 -0.17667
42 14F-1 0.36363 -0.15381 0.00000 0.00000 -0.39264
43 14F+2 0.00000 0.00000 0.13200 -0.09276 0.00000
44 14F-2 0.00000 0.00000 0.61967 -0.04547 0.00000
45 14F+3 0.71742 0.02429 0.00000 0.00000 0.12183
46 14F-3 -0.27205 0.09304 0.00000 0.00000 0.31225
47 2 H 1S -0.44161 -0.18391 0.00000 0.00000 0.07709
48 2S 13.97446 6.54302 0.00000 0.00000 1.05793
49 3S 4.26458 2.85013 0.00000 0.00000 1.91360
50 4S 0.15613 0.17600 0.00000 0.00000 0.11612
51 5PX 0.31723 0.10829 0.00000 0.00000 0.01777
52 5PY -0.07030 -0.02454 0.00000 0.00000 -0.00686
53 5PZ 0.00000 0.00000 0.00579 0.00002 0.00000
54 6PX 3.37463 2.09712 0.00000 0.00000 0.66633
55 6PY -0.93444 -0.32265 0.00000 0.00000 -1.30876
56 6PZ 0.00000 0.00000 0.05696 -0.20399 0.00000
57 7PX 0.71470 0.53505 0.00000 0.00000 0.41093
58 7PY -0.07308 0.13127 0.00000 0.00000 -0.67945
59 7PZ 0.00000 0.00000 -0.28188 -0.09698 0.00000
60 8D 0 -0.12551 -0.07673 0.00000 0.00000 0.00427
61 8D+1 0.00000 0.00000 0.00476 0.00361 0.00000
62 8D-1 0.00000 0.00000 -0.00397 0.00233 0.00000
63 8D+2 0.25652 0.09925 0.00000 0.00000 0.09606
64 8D-2 -0.12233 -0.09074 0.00000 0.00000 -0.03732
65 9D 0 0.14715 0.03198 0.00000 0.00000 -0.32802
66 9D+1 0.00000 0.00000 0.04591 -0.16769 0.00000
67 9D-1 0.00000 0.00000 0.23378 0.00776 0.00000
68 9D+2 -0.34668 0.20237 0.00000 0.00000 -0.29317
69 9D-2 0.20100 0.28379 0.00000 0.00000 -0.44907
70 3 Cl 1S -0.00794 -0.00161 0.00000 0.00000 0.01700
71 2S -0.05976 -0.00750 0.00000 0.00000 -0.00002
72 3S -0.25134 -0.04472 0.00000 0.00000 0.34377
73 4S -0.07377 -0.02289 0.00000 0.00000 0.18656
74 5S -0.18310 -0.41168 0.00000 0.00000 -0.14445
75 6S 1.20638 -0.16998 0.00000 0.00000 -0.35481
76 7PX 0.02822 0.13663 0.00000 0.00000 -0.24842
77 7PY -0.04750 0.00495 0.00000 0.00000 0.07970
78 7PZ 0.00000 0.00000 -0.02919 -0.22367 0.00000
79 8PX -0.00831 0.29733 0.00000 0.00000 -0.93047
80 8PY -0.25774 -0.04917 0.00000 0.00000 0.57711
81 8PZ 0.00000 0.00000 -0.08947 -0.80457 0.00000
82 9PX -0.09564 -0.40489 0.00000 0.00000 0.75924
83 9PY 0.11723 -0.01977 0.00000 0.00000 -0.21344
84 9PZ 0.00000 0.00000 0.08352 0.68432 0.00000
85 10PX -0.00589 -0.60107 0.00000 0.00000 0.85756
86 10PY 0.44062 -0.41937 0.00000 0.00000 -0.84086
87 10PZ 0.00000 0.00000 0.13324 0.51273 0.00000
88 11PX 0.01795 0.06360 0.00000 0.00000 -0.24773
89 11PY 0.35080 0.01076 0.00000 0.00000 0.02494
90 11PZ 0.00000 0.00000 -0.04762 -0.31050 0.00000
91 12D 0 -0.35248 0.95362 0.00000 0.00000 -0.01675
92 12D+1 0.00000 0.00000 -1.18644 -0.01763 0.00000
93 12D-1 0.00000 0.00000 0.01339 -1.18779 0.00000
94 12D+2 0.28954 -0.54326 0.00000 0.00000 -0.28685
95 12D-2 -0.07033 0.16727 0.00000 0.00000 -1.02468
96 13D 0 0.27067 -1.10199 0.00000 0.00000 0.00951
97 13D+1 0.00000 0.00000 1.38067 0.01558 0.00000
98 13D-1 0.00000 0.00000 0.04522 1.35814 0.00000
99 13D+2 -0.43177 0.62335 0.00000 0.00000 0.40689
100 13D-2 0.10213 -0.38661 0.00000 0.00000 1.21500
101 14D 0 -0.27336 0.50407 0.00000 0.00000 0.21314
102 14D+1 0.00000 0.00000 -0.55024 -0.01571 0.00000
103 14D-1 0.00000 0.00000 0.07674 -0.53215 0.00000
104 14D+2 -0.01269 -0.08837 0.00000 0.00000 0.10954
105 14D-2 0.04413 -0.08004 0.00000 0.00000 -0.27585
106 15F 0 0.00000 0.00000 -0.01320 0.04194 0.00000
107 15F+1 -0.02953 -0.00706 0.00000 0.00000 -0.02542
108 15F-1 -0.07043 0.05260 0.00000 0.00000 0.04321
109 15F+2 0.00000 0.00000 0.04750 0.04358 0.00000
110 15F-2 0.00000 0.00000 -0.14492 0.00241 0.00000
111 15F+3 0.19553 0.15668 0.00000 0.00000 -0.03768
112 15F-3 0.05824 -0.02953 0.00000 0.00000 -0.17354
113 16F 0 0.00000 0.00000 -0.07193 -0.15289 0.00000
114 16F+1 -0.09981 -0.02412 0.00000 0.00000 -0.07633
115 16F-1 -0.01464 -0.13680 0.00000 0.00000 0.05342
116 16F+2 0.00000 0.00000 -0.07041 -0.19903 0.00000
117 16F-2 0.00000 0.00000 0.29622 -0.00818 0.00000
118 16F+3 -0.30700 -0.05053 0.00000 0.00000 -0.21025
119 16F-3 -0.18453 0.12178 0.00000 0.00000 0.31018
81 82 83 84 85
V V V V V
Eigenvalues -- 2.74694 2.77491 2.92171 2.99207 3.01486
1 1 O 1S 0.00000 -0.01525 0.00000 -0.00211 0.04081
2 2S 0.00000 0.34027 0.00000 0.17856 -0.54210
3 3S 0.00000 0.14032 0.00000 0.11695 -0.30457
4 4S 0.00000 0.46269 0.00000 -3.67760 3.85772
5 5S 0.00000 -0.09534 0.00000 -1.56987 2.32364
6 6PX 0.00000 -0.03062 0.00000 0.00947 -0.00887
7 6PY 0.00000 0.00912 0.00000 0.02437 0.14793
8 6PZ -0.11933 0.00000 -0.04261 0.00000 0.00000
9 7PX 0.00000 -0.04194 0.00000 0.14519 -0.27329
10 7PY 0.00000 -0.09959 0.00000 0.00696 0.33719
11 7PZ -0.08473 0.00000 -0.10148 0.00000 0.00000
12 8PX 0.00000 0.39097 0.00000 5.18645 -0.32631
13 8PY 0.00000 3.57992 0.00000 -1.09211 -2.29068
14 8PZ -3.31714 0.00000 2.31962 0.00000 0.00000
15 9PX 0.00000 -0.24079 0.00000 0.38520 0.08903
16 9PY 0.00000 0.55576 0.00000 0.12231 -0.60176
17 9PZ -0.23312 0.00000 0.20594 0.00000 0.00000
18 10D 0 0.00000 0.00277 0.00000 0.00011 -0.02356
19 10D+1 -0.00748 0.00000 -0.00126 0.00000 0.00000
20 10D-1 0.00401 0.00000 0.00185 0.00000 0.00000
21 10D+2 0.00000 0.02142 0.00000 -0.01099 -0.04114
22 10D-2 0.00000 0.00909 0.00000 0.00403 0.00206
23 11D 0 0.00000 -0.13174 0.00000 0.24892 -0.19014
24 11D+1 1.24538 0.00000 -0.16597 0.00000 0.00000
25 11D-1 -0.26053 0.00000 -0.23893 0.00000 0.00000
26 11D+2 0.00000 -0.23996 0.00000 -0.37942 -0.23665
27 11D-2 0.00000 -1.05568 0.00000 -0.10237 -0.19719
28 12D 0 0.00000 0.38801 0.00000 0.36501 -0.54075
29 12D+1 1.47555 0.00000 -0.27598 0.00000 0.00000
30 12D-1 -0.31515 0.00000 -1.44739 0.00000 0.00000
31 12D+2 0.00000 -0.62977 0.00000 -1.33794 -1.10637
32 12D-2 0.00000 -0.90095 0.00000 -1.33314 -0.13917
33 13F 0 -0.06543 0.00000 0.04744 0.00000 0.00000
34 13F+1 0.00000 -0.00953 0.00000 0.01796 0.02563
35 13F-1 0.00000 0.05598 0.00000 -0.00709 -0.05332
36 13F+2 0.05347 0.00000 0.02718 0.00000 0.00000
37 13F-2 -0.03666 0.00000 0.00583 0.00000 0.00000
38 13F+3 0.00000 -0.07053 0.00000 0.05715 -0.02281
39 13F-3 0.00000 -0.02051 0.00000 0.00078 -0.03386
40 14F 0 0.98170 0.00000 -0.77402 0.00000 0.00000
41 14F+1 0.00000 0.01459 0.00000 -0.51037 -0.05820
42 14F-1 0.00000 -0.68086 0.00000 0.05781 0.48410
43 14F+2 -1.05288 0.00000 -0.57465 0.00000 0.00000
44 14F-2 0.52229 0.00000 -0.01386 0.00000 0.00000
45 14F+3 0.00000 1.10565 0.00000 -0.55661 0.25375
46 14F-3 0.00000 0.71521 0.00000 -0.00905 0.79157
47 2 H 1S 0.00000 -0.07999 0.00000 -0.01390 0.11435
48 2S 0.00000 0.19137 0.00000 4.83905 -0.95333
49 3S 0.00000 -1.72498 0.00000 1.98687 0.39898
50 4S 0.00000 -0.09819 0.00000 0.06560 0.12396
51 5PX 0.00000 0.06456 0.00000 0.01568 -0.08443
52 5PY 0.00000 0.00836 0.00000 0.05470 0.05977
53 5PZ -0.01734 0.00000 -0.00582 0.00000 0.00000
54 6PX 0.00000 -1.15457 0.00000 1.10196 -0.63541
55 6PY 0.00000 -2.74958 0.00000 -0.54575 -0.52661
56 6PZ 3.44446 0.00000 -0.54157 0.00000 0.00000
57 7PX 0.00000 -0.85227 0.00000 0.30250 0.06396
58 7PY 0.00000 -0.79856 0.00000 -0.27791 -0.29533
59 7PZ 1.19895 0.00000 -0.17680 0.00000 0.00000
60 8D 0 0.00000 -0.00764 0.00000 -0.03331 0.00712
61 8D+1 0.14330 0.00000 0.01795 0.00000 0.00000
62 8D-1 -0.02224 0.00000 0.00724 0.00000 0.00000
63 8D+2 0.00000 -0.06850 0.00000 0.08323 -0.12657
64 8D-2 0.00000 -0.12475 0.00000 -0.09638 -0.01534
65 9D 0 0.00000 0.27167 0.00000 0.24296 0.03086
66 9D+1 1.41778 0.00000 -0.19751 0.00000 0.00000
67 9D-1 -0.31754 0.00000 0.13269 0.00000 0.00000
68 9D+2 0.00000 -0.53625 0.00000 0.05918 -0.13813
69 9D-2 0.00000 -1.12720 0.00000 0.08088 -0.24026
70 3 Cl 1S 0.00000 0.00475 0.00000 -0.00426 -0.01426
71 2S 0.00000 -0.03777 0.00000 0.00840 0.13078
72 3S 0.00000 0.03921 0.00000 -0.07437 -0.06134
73 4S 0.00000 0.06599 0.00000 -0.05531 -0.05017
74 5S 0.00000 0.79620 0.00000 -0.54132 -3.06062
75 6S 0.00000 0.71973 0.00000 0.10027 -1.95097
76 7PX 0.00000 0.00228 0.00000 -0.44689 0.01352
77 7PY 0.00000 -0.02164 0.00000 0.00454 -0.02098
78 7PZ -0.04098 0.00000 -0.42929 0.00000 0.00000
79 8PX 0.00000 0.13601 0.00000 -2.05681 0.07501
80 8PY 0.00000 0.21454 0.00000 -0.17125 -1.48971
81 8PZ -0.16018 0.00000 -1.91486 0.00000 0.00000
82 9PX 0.00000 -0.03212 0.00000 1.48655 -0.04984
83 9PY 0.00000 0.07116 0.00000 -0.01469 0.14820
84 9PZ 0.13515 0.00000 1.42491 0.00000 0.00000
85 10PX 0.00000 -0.01797 0.00000 -0.66982 0.15114
86 10PY 0.00000 0.53903 0.00000 -0.34878 -2.14986
87 10PZ 0.13863 0.00000 -0.61707 0.00000 0.00000
88 11PX 0.00000 0.14422 0.00000 -0.05268 0.02402
89 11PY 0.00000 0.14260 0.00000 0.03890 -0.42775
90 11PZ -0.06350 0.00000 -0.14004 0.00000 0.00000
91 12D 0 0.00000 -0.06631 0.00000 0.10080 0.31054
92 12D+1 0.13220 0.00000 -0.01580 0.00000 0.00000
93 12D-1 -0.08548 0.00000 0.51267 0.00000 0.00000
94 12D+2 0.00000 -0.30871 0.00000 0.03794 0.54984
95 12D-2 0.00000 0.37815 0.00000 0.70639 -0.00476
96 13D 0 0.00000 -0.03241 0.00000 -0.14294 0.09963
97 13D+1 -0.17208 0.00000 0.03217 0.00000 0.00000
98 13D-1 0.05561 0.00000 -1.51843 0.00000 0.00000
99 13D+2 0.00000 0.39996 0.00000 0.02354 0.18314
100 13D-2 0.00000 -0.20099 0.00000 -1.83438 0.09151
101 14D 0 0.00000 -0.11602 0.00000 0.12045 0.47298
102 14D+1 0.11742 0.00000 -0.01907 0.00000 0.00000
103 14D-1 -0.00693 0.00000 -0.60658 0.00000 0.00000
104 14D+2 0.00000 -0.18327 0.00000 0.12446 0.81977
105 14D-2 0.00000 0.18122 0.00000 -0.46485 0.12504
106 15F 0 -0.06957 0.00000 -0.46044 0.00000 0.00000
107 15F+1 0.00000 0.00367 0.00000 -0.46798 0.11525
108 15F-1 0.00000 0.18303 0.00000 0.06801 -0.12908
109 15F+2 -0.22547 0.00000 -0.45466 0.00000 0.00000
110 15F-2 -0.01590 0.00000 -0.10479 0.00000 0.00000
111 15F+3 0.00000 0.00912 0.00000 -0.29287 0.08007
112 15F-3 0.00000 -0.19017 0.00000 -0.07651 -0.78446
113 16F 0 0.04895 0.00000 0.88947 0.00000 0.00000
114 16F+1 0.00000 -0.04331 0.00000 0.51294 -0.08985
115 16F-1 0.00000 -0.17179 0.00000 -0.07156 0.25776
116 16F+2 0.20023 0.00000 1.06991 0.00000 0.00000
117 16F-2 0.03296 0.00000 0.07094 0.00000 0.00000
118 16F+3 0.00000 -0.09466 0.00000 1.14038 -0.15519
119 16F-3 0.00000 0.42113 0.00000 0.08219 0.74614
86 87 88 89 90
V V V V V
Eigenvalues -- 3.05670 3.07291 3.12950 3.13528 3.30442
1 1 O 1S 0.00000 -0.01032 -0.00781 0.00000 0.00455
2 2S 0.00000 0.22186 0.12822 0.00000 0.29017
3 3S 0.00000 0.14245 0.08383 0.00000 0.09654
4 4S 0.00000 -2.81502 -1.72776 0.00000 1.80430
5 5S 0.00000 -1.27334 -1.17011 0.00000 0.28629
6 6PX 0.00000 0.00664 0.03205 0.00000 0.01482
7 6PY 0.00000 -0.00004 -0.03310 0.00000 0.02762
8 6PZ 0.00923 0.00000 0.00000 -0.02247 0.00000
9 7PX 0.00000 0.16622 -0.02020 0.00000 -0.17270
10 7PY 0.00000 -0.02658 0.11255 0.00000 -0.33351
11 7PZ -0.01617 0.00000 0.00000 -0.00936 0.00000
12 8PX 0.00000 2.92418 -0.53273 0.00000 -0.55759
13 8PY 0.00000 -0.67152 0.59753 0.00000 -1.56452
14 8PZ 0.46204 0.00000 0.00000 0.27268 0.00000
15 9PX 0.00000 0.28066 -0.14871 0.00000 0.09629
16 9PY 0.00000 0.09297 0.20386 0.00000 -0.30859
17 9PZ 0.11162 0.00000 0.00000 0.10461 0.00000
18 10D 0 0.00000 0.00108 -0.00931 0.00000 0.00673
19 10D+1 0.00320 0.00000 0.00000 -0.01320 0.00000
20 10D-1 -0.00022 0.00000 0.00000 0.00266 0.00000
21 10D+2 0.00000 -0.00030 0.01325 0.00000 0.01494
22 10D-2 0.00000 0.00283 -0.00384 0.00000 -0.01114
23 11D 0 0.00000 0.13930 -0.02738 0.00000 0.08014
24 11D+1 -0.05037 0.00000 0.00000 -0.04702 0.00000
25 11D-1 0.00596 0.00000 0.00000 0.04082 0.00000
26 11D+2 0.00000 -0.19336 0.14631 0.00000 0.33005
27 11D-2 0.00000 0.11260 0.09361 0.00000 0.11748
28 12D 0 0.00000 0.54056 0.24209 0.00000 0.22294
29 12D+1 -0.31137 0.00000 0.00000 0.18539 0.00000
30 12D-1 -0.06172 0.00000 0.00000 -0.43843 0.00000
31 12D+2 0.00000 -0.79409 0.34419 0.00000 0.44751
32 12D-2 0.00000 -0.15771 0.56785 0.00000 0.99077
33 13F 0 0.00960 0.00000 0.00000 0.00319 0.00000
34 13F+1 0.00000 0.00134 -0.00007 0.00000 0.01669
35 13F-1 0.00000 -0.00152 -0.02549 0.00000 0.03490
36 13F+2 -0.00568 0.00000 0.00000 -0.00257 0.00000
37 13F-2 0.00632 0.00000 0.00000 -0.01679 0.00000
38 13F+3 0.00000 0.02360 0.01418 0.00000 0.04177
39 13F-3 0.00000 0.00068 0.00338 0.00000 0.08366
40 14F 0 -0.09900 0.00000 0.00000 -0.01733 0.00000
41 14F+1 0.00000 -0.25861 0.02326 0.00000 -0.10051
42 14F-1 0.00000 0.02559 0.13145 0.00000 -0.14680
43 14F+2 0.06196 0.00000 0.00000 -0.03268 0.00000
44 14F-2 -0.01473 0.00000 0.00000 0.19919 0.00000
45 14F+3 0.00000 -0.10441 -0.15255 0.00000 -0.42459
46 14F-3 0.00000 -0.11970 -0.25461 0.00000 -0.97845
47 2 H 1S 0.00000 -0.04549 0.00829 0.00000 0.25582
48 2S 0.00000 3.61368 -0.22539 0.00000 -0.62826
49 3S 0.00000 1.12092 -0.51122 0.00000 0.65995
50 4S 0.00000 0.01414 -0.14385 0.00000 0.15973
51 5PX 0.00000 0.02676 0.03549 0.00000 -0.00158
52 5PY 0.00000 0.01094 -0.02810 0.00000 0.02394
53 5PZ -0.03126 0.00000 0.00000 0.02385 0.00000
54 6PX 0.00000 0.77909 0.06569 0.00000 -0.11554
55 6PY 0.00000 -0.13791 0.78766 0.00000 1.48862
56 6PZ -0.34521 0.00000 0.00000 0.01993 0.00000
57 7PX 0.00000 -0.02449 0.07947 0.00000 0.09537
58 7PY 0.00000 0.00565 0.44237 0.00000 0.35562
59 7PZ -0.23924 0.00000 0.00000 -0.16258 0.00000
60 8D 0 0.00000 -0.03570 -0.00604 0.00000 0.05171
61 8D+1 0.01010 0.00000 0.00000 0.03339 0.00000
62 8D-1 0.00067 0.00000 0.00000 -0.04720 0.00000
63 8D+2 0.00000 0.07330 -0.03169 0.00000 0.09738
64 8D-2 0.00000 -0.05520 0.02103 0.00000 -0.00558
65 9D 0 0.00000 0.08041 -0.02776 0.00000 0.01635
66 9D+1 -0.12337 0.00000 0.00000 -0.01937 0.00000
67 9D-1 0.08254 0.00000 0.00000 0.39564 0.00000
68 9D+2 0.00000 -0.11067 0.16171 0.00000 -0.01114
69 9D-2 0.00000 0.23846 0.12364 0.00000 0.57441
70 3 Cl 1S 0.00000 -0.00063 -0.01360 0.00000 0.03388
71 2S 0.00000 -0.01896 0.04387 0.00000 -0.20096
72 3S 0.00000 -0.04358 -0.23679 0.00000 0.42764
73 4S 0.00000 -0.01247 -0.27865 0.00000 0.57551
74 5S 0.00000 0.02842 1.49979 0.00000 -0.84689
75 6S 0.00000 0.25258 1.57513 0.00000 -1.25867
76 7PX 0.00000 -0.12133 0.05225 0.00000 -0.03461
77 7PY 0.00000 0.01054 0.07186 0.00000 -0.15906
78 7PZ -0.02054 0.00000 0.00000 -0.04206 0.00000
79 8PX 0.00000 -0.60521 0.26578 0.00000 -0.16768
80 8PY 0.00000 0.08716 0.37581 0.00000 0.12818
81 8PZ -0.09532 0.00000 0.00000 -0.22125 0.00000
82 9PX 0.00000 0.40734 -0.17048 0.00000 0.12267
83 9PY 0.00000 -0.04494 -0.26116 0.00000 0.51053
84 9PZ 0.06808 0.00000 0.00000 0.14046 0.00000
85 10PX 0.00000 -0.19139 -0.03171 0.00000 0.44169
86 10PY 0.00000 -0.00408 1.81015 0.00000 -1.64638
87 10PZ -0.03382 0.00000 0.00000 -0.06911 0.00000
88 11PX 0.00000 -0.02585 -0.04699 0.00000 -0.00411
89 11PY 0.00000 0.07062 0.31077 0.00000 -0.18574
90 11PZ -0.01476 0.00000 0.00000 -0.01618 0.00000
91 12D 0 0.00000 0.02370 -0.00055 0.00000 -0.27398
92 12D+1 -0.02151 0.00000 0.00000 -0.06498 0.00000
93 12D-1 0.03695 0.00000 0.00000 0.06162 0.00000
94 12D+2 0.00000 -0.03128 0.14405 0.00000 -0.47675
95 12D-2 0.00000 0.18203 -0.09168 0.00000 0.05225
96 13D 0 0.00000 -0.09922 -0.11043 0.00000 0.26162
97 13D+1 0.04075 0.00000 0.00000 0.12024 0.00000
98 13D-1 -0.08915 0.00000 0.00000 -0.17355 0.00000
99 13D+2 0.00000 -0.01873 -0.47472 0.00000 0.37116
100 13D-2 0.00000 -0.52680 0.19130 0.00000 -0.16716
101 14D 0 0.00000 0.02302 -0.53676 0.00000 0.36789
102 14D+1 -0.00677 0.00000 0.00000 -0.22057 0.00000
103 14D-1 -0.01672 0.00000 0.00000 -0.03457 0.00000
104 14D+2 0.00000 -0.01300 -0.52819 0.00000 0.63694
105 14D-2 0.00000 -0.10883 -0.04744 0.00000 0.41310
106 15F 0 1.04918 0.00000 0.00000 0.25022 0.00000
107 15F+1 0.00000 1.24184 -0.16203 0.00000 0.16074
108 15F-1 0.00000 0.22335 1.32573 0.00000 -0.35657
109 15F+2 -0.80658 0.00000 0.00000 -0.31237 0.00000
110 15F-2 -0.39095 0.00000 0.00000 1.36024 0.00000
111 15F+3 0.00000 -0.43286 0.20252 0.00000 0.69575
112 15F-3 0.00000 -0.03195 -0.31523 0.00000 -0.92013
113 16F 0 -0.61283 0.00000 0.00000 -0.14402 0.00000
114 16F+1 0.00000 -0.71641 0.11370 0.00000 -0.08664
115 16F-1 0.00000 -0.18542 -1.09115 0.00000 0.46795
116 16F+2 0.52316 0.00000 0.00000 0.27838 0.00000
117 16F-2 0.26785 0.00000 0.00000 -0.94300 0.00000
118 16F+3 0.00000 0.52209 -0.17108 0.00000 -0.45822
119 16F-3 0.00000 -0.01190 -0.06563 0.00000 0.81740
91 92 93 94 95
V V V V V
Eigenvalues -- 3.34630 3.35786 3.69649 3.73606 4.12312
1 1 O 1S 0.01199 0.00000 0.00913 0.01608 0.00000
2 2S -0.05889 0.00000 0.71555 -0.48640 0.00000
3 3S -0.03827 0.00000 0.42452 -0.27171 0.00000
4 4S -1.02965 0.00000 -5.36860 2.51071 0.00000
5 5S 1.53627 0.00000 -2.29763 3.15518 0.00000
6 6PX -0.04394 0.00000 0.05102 -0.16048 0.00000
7 6PY 0.02407 0.00000 0.49627 -0.18991 0.00000
8 6PZ 0.00000 0.09434 0.00000 0.00000 0.10463
9 7PX 0.34687 0.00000 0.27971 0.08457 0.00000
10 7PY -0.22150 0.00000 -0.74799 0.26897 0.00000
11 7PZ 0.00000 -0.23338 0.00000 0.00000 -0.14829
12 8PX 2.02584 0.00000 -1.47026 -0.19099 0.00000
13 8PY -2.10038 0.00000 7.37542 -2.20443 0.00000
14 8PZ 0.00000 -0.21095 0.00000 0.00000 -0.14417
15 9PX 0.09267 0.00000 -0.42965 -0.44768 0.00000
16 9PY -0.73159 0.00000 1.11168 -0.40411 0.00000
17 9PZ 0.00000 -0.15736 0.00000 0.00000 -0.02445
18 10D 0 -0.00661 0.00000 -0.02840 -0.03308 0.00000
19 10D+1 0.00000 0.00492 0.00000 0.00000 0.00433
20 10D-1 0.00000 -0.03771 0.00000 0.00000 -0.01788
21 10D+2 0.03728 0.00000 0.00729 0.05055 0.00000
22 10D-2 0.02602 0.00000 -0.00651 -0.05292 0.00000
23 11D 0 0.06575 0.00000 0.37832 -0.39352 0.00000
24 11D+1 0.00000 0.12847 0.00000 0.00000 -0.02922
25 11D-1 0.00000 -0.39171 0.00000 0.00000 -0.28313
26 11D+2 0.01231 0.00000 0.96430 -0.06785 0.00000
27 11D-2 0.36072 0.00000 -0.08279 -0.14953 0.00000
28 12D 0 0.07865 0.00000 0.72744 -0.40613 0.00000
29 12D+1 0.00000 0.31484 0.00000 0.00000 -0.02512
30 12D-1 0.00000 -0.40049 0.00000 0.00000 0.19264
31 12D+2 -0.79418 0.00000 2.27147 -0.63874 0.00000
32 12D-2 0.12553 0.00000 -0.60575 -0.43355 0.00000
33 13F 0 0.00000 0.05566 0.00000 0.00000 0.01133
34 13F+1 -0.04841 0.00000 -0.04787 -0.05732 0.00000
35 13F-1 0.02542 0.00000 0.03485 0.00267 0.00000
36 13F+2 0.00000 0.08343 0.00000 0.00000 -0.04090
37 13F-2 0.00000 0.00365 0.00000 0.00000 -0.04327
38 13F+3 -0.02440 0.00000 0.02883 0.07273 0.00000
39 13F-3 0.00608 0.00000 0.00887 -0.05059 0.00000
40 14F 0 0.00000 -0.38716 0.00000 0.00000 -0.02787
41 14F+1 0.19875 0.00000 0.30627 0.28321 0.00000
42 14F-1 -0.11396 0.00000 -0.53355 0.09052 0.00000
43 14F+2 0.00000 -0.80474 0.00000 0.00000 0.18846
44 14F-2 0.00000 0.04883 0.00000 0.00000 0.45474
45 14F+3 0.22862 0.00000 -0.21802 -0.68067 0.00000
46 14F-3 -0.25173 0.00000 -0.24599 0.49504 0.00000
47 2 H 1S -0.55646 0.00000 -0.42505 -1.16982 0.00000
48 2S 3.57212 0.00000 -0.94633 0.74887 0.00000
49 3S -1.07631 0.00000 -3.54170 -1.11142 0.00000
50 4S 0.04134 0.00000 -0.20552 0.04976 0.00000
51 5PX 0.15530 0.00000 0.17848 0.43409 0.00000
52 5PY -0.19007 0.00000 -0.07104 0.03481 0.00000
53 5PZ 0.00000 -0.04271 0.00000 0.00000 -0.16911
54 6PX 0.92680 0.00000 0.12332 -0.23552 0.00000
55 6PY 0.53955 0.00000 -0.24414 -0.17899 0.00000
56 6PZ 0.00000 0.60760 0.00000 0.00000 0.20305
57 7PX 0.06461 0.00000 -0.83800 0.09065 0.00000
58 7PY 1.02194 0.00000 0.56240 -0.35895 0.00000
59 7PZ 0.00000 0.18662 0.00000 0.00000 0.09791
60 8D 0 0.03600 0.00000 0.14645 0.46165 0.00000
61 8D+1 0.00000 -0.03094 0.00000 0.00000 0.27614
62 8D-1 0.00000 -0.08724 0.00000 0.00000 1.16614
63 8D+2 -0.11614 0.00000 0.10883 -0.09798 0.00000
64 8D-2 -0.01030 0.00000 -0.16378 0.15481 0.00000
65 9D 0 0.24507 0.00000 -0.10594 -0.21400 0.00000
66 9D+1 0.00000 0.28340 0.00000 0.00000 0.05569
67 9D-1 0.00000 0.03120 0.00000 0.00000 -0.41790
68 9D+2 0.58279 0.00000 0.35604 -0.03346 0.00000
69 9D-2 0.21252 0.00000 0.01971 -0.11289 0.00000
70 3 Cl 1S 0.01002 0.00000 -0.01973 0.00417 0.00000
71 2S -0.00984 0.00000 -0.32302 0.08535 0.00000
72 3S 0.19393 0.00000 -0.91759 0.23178 0.00000
73 4S 0.12452 0.00000 -0.26993 0.12010 0.00000
74 5S -1.35696 0.00000 8.68181 -3.02121 0.00000
75 6S -0.65123 0.00000 2.86429 -1.54490 0.00000
76 7PX 0.08029 0.00000 0.01026 -0.07972 0.00000
77 7PY -0.17783 0.00000 0.53773 -0.13946 0.00000
78 7PZ 0.00000 -0.16442 0.00000 0.00000 0.00088
79 8PX 0.49775 0.00000 0.04928 -0.57834 0.00000
80 8PY -0.74605 0.00000 4.49486 -1.44532 0.00000
81 8PZ 0.00000 -0.96994 0.00000 0.00000 0.04215
82 9PX -0.27220 0.00000 -0.02952 0.29564 0.00000
83 9PY 0.58621 0.00000 -1.94954 0.51683 0.00000
84 9PZ 0.00000 0.58413 0.00000 0.00000 -0.00126
85 10PX -1.19045 0.00000 -0.56170 0.19706 0.00000
86 10PY -0.78907 0.00000 4.90429 -1.87204 0.00000
87 10PZ 0.00000 0.15164 0.00000 0.00000 -0.01404
88 11PX -0.10057 0.00000 0.01607 0.10475 0.00000
89 11PY -0.06976 0.00000 0.40981 -0.27506 0.00000
90 11PZ 0.00000 0.03676 0.00000 0.00000 -0.01375
91 12D 0 -0.17839 0.00000 0.14577 -0.03588 0.00000
92 12D+1 0.00000 0.00257 0.00000 0.00000 -0.04158
93 12D-1 0.00000 0.18055 0.00000 0.00000 -0.00510
94 12D+2 -0.27470 0.00000 0.23868 -0.00385 0.00000
95 12D-2 -0.01495 0.00000 -0.00474 0.05292 0.00000
96 13D 0 0.29330 0.00000 -1.20848 0.42697 0.00000
97 13D+1 0.00000 -0.00742 0.00000 0.00000 0.12671
98 13D-1 0.00000 -0.86686 0.00000 0.00000 0.03034
99 13D+2 0.46665 0.00000 -2.05034 0.66964 0.00000
100 13D-2 0.13710 0.00000 -0.06801 -0.47031 0.00000
101 14D 0 -0.04626 0.00000 -0.64032 0.20899 0.00000
102 14D+1 0.00000 -0.03222 0.00000 0.00000 0.08500
103 14D-1 0.00000 0.29363 0.00000 0.00000 -0.03353
104 14D+2 0.43102 0.00000 -1.04731 0.38906 0.00000
105 14D-2 -0.90659 0.00000 -0.35165 0.23317 0.00000
106 15F 0 0.00000 0.80600 0.00000 0.00000 0.04694
107 15F+1 -0.29676 0.00000 0.00817 0.19798 0.00000
108 15F-1 -0.05262 0.00000 -0.31828 0.07031 0.00000
109 15F+2 0.00000 1.04134 0.00000 0.00000 0.06222
110 15F-2 0.00000 0.06730 0.00000 0.00000 0.02817
111 15F+3 -1.07127 0.00000 -0.01908 0.46025 0.00000
112 15F-3 -0.64002 0.00000 -0.34651 0.18065 0.00000
113 16F 0 0.00000 -0.33693 0.00000 0.00000 -0.00887
114 16F+1 0.25312 0.00000 0.00511 -0.15868 0.00000
115 16F-1 0.11983 0.00000 -0.26865 0.11823 0.00000
116 16F+2 0.00000 -0.42120 0.00000 0.00000 -0.05378
117 16F-2 0.00000 -0.07427 0.00000 0.00000 0.18690
118 16F+3 0.90164 0.00000 0.13286 -0.14549 0.00000
119 16F-3 0.74994 0.00000 -0.34001 0.06926 0.00000
96 97 98 99 100
V V V V V
Eigenvalues -- 4.16444 4.33713 4.34576 4.51333 4.71010
1 1 O 1S 0.00000 0.00000 0.00078 -0.01457 0.01718
2 2S 0.00000 0.00000 0.19391 0.28186 0.07687
3 3S 0.00000 0.00000 0.13994 0.20809 0.00950
4 4S 0.00000 0.00000 -1.70395 -0.22483 9.57079
5 5S 0.00000 0.00000 0.07613 0.53276 4.00811
6 6PX 0.00000 0.00000 0.03131 0.07665 0.83768
7 6PY 0.00000 0.00000 0.09430 -0.26558 0.23098
8 6PZ 1.02925 0.21366 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -0.11117 -0.25048 -2.08926
10 7PY 0.00000 0.00000 -0.23584 0.54195 0.02357
11 7PZ -1.08695 -0.46532 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 2.28819 -0.05736 -1.47264
13 8PY 0.00000 0.00000 -0.01683 3.52791 -1.91409
14 8PZ 1.32377 -1.73977 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.05375 -0.04441 -0.46839
16 9PY 0.00000 0.00000 0.04394 0.32129 -0.29301
17 9PZ -0.13664 -0.13477 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.00097 0.00648 -0.10094
19 10D+1 0.04423 0.00954 0.00000 0.00000 0.00000
20 10D-1 0.00212 0.00725 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.04019 0.02272 0.05980
22 10D-2 0.00000 0.00000 -0.04708 0.00181 -0.02326
23 11D 0 0.00000 0.00000 0.34219 0.13900 -0.26339
24 11D+1 -0.48014 0.24457 0.00000 0.00000 0.00000
25 11D-1 0.20575 0.00329 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.20112 0.06376 -0.62666
27 11D-2 0.00000 0.00000 0.08884 -0.16799 -0.32500
28 12D 0 0.00000 0.00000 0.15468 0.08793 -0.38523
29 12D+1 -0.08033 1.05011 0.00000 0.00000 0.00000
30 12D-1 -0.46758 -0.10514 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.55048 0.24749 -0.56733
32 12D-2 0.00000 0.00000 -0.82053 -1.42340 -0.03382
33 13F 0 -0.04156 0.11919 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.02446 0.01082 0.06577
35 13F-1 0.00000 0.00000 -0.00290 -0.05136 -0.03023
36 13F+2 0.02198 -0.12500 0.00000 0.00000 0.00000
37 13F-2 -0.00945 0.06195 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.02911 0.07255 -0.06776
39 13F-3 0.00000 0.00000 -0.03899 0.15252 0.02468
40 14F 0 -0.20270 0.14478 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 -0.44663 -0.07372 -0.22237
42 14F-1 0.00000 0.00000 -0.00393 -0.10350 0.16701
43 14F+2 0.08661 -0.02896 0.00000 0.00000 0.00000
44 14F-2 -0.08155 -0.06748 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 -0.74985 0.02364 0.48806
46 14F-3 0.00000 0.00000 0.16939 -0.07891 0.24837
47 2 H 1S 0.00000 0.00000 -0.43319 0.11635 0.79074
48 2S 0.00000 0.00000 2.64061 -1.08262 -4.47480
49 3S 0.00000 0.00000 -1.27396 -1.96695 -3.94791
50 4S 0.00000 0.00000 -0.07643 -0.04415 -0.15118
51 5PX 0.00000 0.00000 0.23838 0.40487 0.79569
52 5PY 0.00000 0.00000 -0.16671 1.26976 -0.35209
53 5PZ -0.00588 -1.33020 0.00000 0.00000 0.00000
54 6PX 0.00000 0.00000 0.26292 -1.15290 -3.97368
55 6PY 0.00000 0.00000 0.10412 -2.44921 0.42112
56 6PZ -0.55638 2.43345 0.00000 0.00000 0.00000
57 7PX 0.00000 0.00000 -0.40252 -0.78649 -1.45469
58 7PY 0.00000 0.00000 0.52344 -0.28712 0.10840
59 7PZ 0.08206 0.51107 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.00000 -0.93711 -0.07528 0.25799
61 8D+1 -0.72862 0.40867 0.00000 0.00000 0.00000
62 8D-1 0.08790 -0.26170 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 -0.57700 -0.36658 -0.42938
64 8D-2 0.00000 0.00000 0.46195 -0.32335 -0.29026
65 9D 0 0.00000 0.00000 0.51283 0.10910 0.47796
66 9D+1 0.17120 0.76043 0.00000 0.00000 0.00000
67 9D-1 0.02574 -0.13446 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.35024 -0.41852 -0.92807
69 9D-2 0.00000 0.00000 0.20672 -0.68122 0.41075
70 3 Cl 1S 0.00000 0.00000 -0.00670 -0.00462 0.01295
71 2S 0.00000 0.00000 -0.10082 -0.49586 0.40897
72 3S 0.00000 0.00000 -0.28949 -0.71687 0.81957
73 4S 0.00000 0.00000 -0.03001 0.54174 -0.17914
74 5S 0.00000 0.00000 0.88635 2.52205 -3.80819
75 6S 0.00000 0.00000 0.43002 0.18633 -1.18755
76 7PX 0.00000 0.00000 -0.09709 0.01616 0.00226
77 7PY 0.00000 0.00000 0.04086 0.08730 -0.16272
78 7PZ 0.00785 0.02085 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 -0.79831 -0.04037 0.06206
80 8PY 0.00000 0.00000 0.35950 1.07468 -1.76439
81 8PZ 0.00291 0.15764 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.38745 -0.05378 -0.01238
83 9PY 0.00000 0.00000 -0.18977 -0.34274 0.65763
84 9PZ -0.02270 -0.08008 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 -0.90435 -0.42673 0.14485
86 10PY 0.00000 0.00000 0.54829 1.13093 -2.29889
87 10PZ -0.53064 0.03858 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 -0.01389 0.01493 0.08797
89 11PY 0.00000 0.00000 0.06305 -0.04150 -0.16579
90 11PZ 0.08245 0.00366 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 -0.00175 -0.03731 -0.02169
92 12D+1 -0.00649 0.00249 0.00000 0.00000 0.00000
93 12D-1 -0.01526 -0.02650 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 -0.01104 0.05092 -0.08034
95 12D-2 0.00000 0.00000 0.10122 -0.08190 0.00530
96 13D 0 0.00000 0.00000 -0.16128 -0.18551 0.53589
97 13D+1 0.01941 -0.04148 0.00000 0.00000 0.00000
98 13D-1 -0.07281 0.16112 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 -0.14713 -0.55125 1.06739
100 13D-2 0.00000 0.00000 -0.91892 0.03457 0.10792
101 14D 0 0.00000 0.00000 -0.08613 -0.10315 0.41814
102 14D+1 -0.01759 -0.05501 0.00000 0.00000 0.00000
103 14D-1 -0.41434 -0.00221 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 -0.01415 -0.29553 0.52174
105 14D-2 0.00000 0.00000 -0.43846 -0.31726 0.13215
106 15F 0 -0.10867 -0.10645 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.10418 -0.02937 0.02571
108 15F-1 0.00000 0.00000 -0.12331 -0.09801 0.05368
109 15F+2 -0.18935 -0.00894 0.00000 0.00000 0.00000
110 15F-2 0.03174 0.02416 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.28901 -0.11201 -0.02717
112 15F-3 0.00000 0.00000 -0.06303 -0.02465 0.23525
113 16F 0 0.14575 0.07464 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.05687 -0.00546 -0.05044
115 16F-1 0.00000 0.00000 0.02659 0.04153 0.28070
116 16F+2 0.23804 -0.09109 0.00000 0.00000 0.00000
117 16F-2 -0.02528 -0.08687 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.29130 0.08883 -0.07908
119 16F-3 0.00000 0.00000 0.06542 -0.28796 0.25167
101 102 103 104 105
V V V V V
Eigenvalues -- 4.79324 5.18812 5.29625 5.52496 6.13850
1 1 O 1S -0.02628 0.06895 0.00000 0.00318 0.07674
2 2S -0.24902 -1.13012 0.00000 -0.22037 0.23270
3 3S -0.20698 -0.65945 0.00000 -0.19668 0.08081
4 4S 1.95399 -6.34457 0.00000 2.57022 -6.33455
5 5S -0.29702 -2.24494 0.00000 0.39899 -2.35565
6 6PX -0.30172 0.13404 0.00000 0.17834 -0.65945
7 6PY 0.67975 0.00614 0.00000 0.86173 0.00095
8 6PZ 0.00000 0.00000 0.68354 0.00000 0.00000
9 7PX 0.26461 2.22128 0.00000 -0.33864 2.36902
10 7PY -0.81732 -0.48299 0.00000 -1.90675 -0.45019
11 7PZ 0.00000 0.00000 -1.51760 0.00000 0.00000
12 8PX -1.18774 3.67482 0.00000 -1.29023 4.00779
13 8PY 1.21128 -0.64361 0.00000 -1.12601 -0.61888
14 8PZ 0.00000 0.00000 -0.99437 0.00000 0.00000
15 9PX -0.02379 0.39183 0.00000 -0.14762 0.23704
16 9PY 0.10658 0.01793 0.00000 -0.02262 0.17682
17 9PZ 0.00000 0.00000 -0.05810 0.00000 0.00000
18 10D 0 0.02571 -0.10478 0.00000 -0.01548 0.13410
19 10D+1 0.00000 0.00000 -0.01029 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00236 0.00000 0.00000
21 10D+2 -0.07494 0.15156 0.00000 -0.00394 0.23989
22 10D-2 0.04413 -0.08366 0.00000 0.00300 0.00633
23 11D 0 -0.45216 0.37912 0.00000 -0.23377 0.67258
24 11D+1 0.00000 0.00000 1.36642 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.29821 0.00000 0.00000
26 11D+2 -0.48863 -0.90611 0.00000 0.31659 -1.08462
27 11D-2 -0.97566 0.08367 0.00000 0.98609 0.47756
28 12D 0 -0.20480 0.16028 0.00000 -0.18019 1.06869
29 12D+1 0.00000 0.00000 0.72658 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.30734 0.00000 0.00000
31 12D+2 0.41572 -0.62416 0.00000 0.87993 -0.40403
32 12D-2 -0.77738 -0.45184 0.00000 0.39657 0.60623
33 13F 0 0.00000 0.00000 -0.11962 0.00000 0.00000
34 13F+1 0.02150 -0.28096 0.00000 -0.01949 0.07040
35 13F-1 -0.06709 0.03496 0.00000 -0.14543 -0.21073
36 13F+2 0.00000 0.00000 0.11127 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.07124 0.00000 0.00000
38 13F+3 -0.03223 0.23408 0.00000 0.15866 -0.21731
39 13F-3 -0.01774 -0.23099 0.00000 0.05485 0.16614
40 14F 0 0.00000 0.00000 0.65192 0.00000 0.00000
41 14F+1 0.08436 0.21045 0.00000 0.15750 -0.41117
42 14F-1 -0.14604 -0.07035 0.00000 0.24913 -0.08147
43 14F+2 0.00000 0.00000 -0.85157 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.37749 0.00000 0.00000
45 14F+3 0.04273 -0.31860 0.00000 -0.73312 0.54205
46 14F-3 0.69991 0.49945 0.00000 -0.79279 -0.71260
47 2 H 1S -0.37890 -0.86165 0.00000 -0.04198 0.56430
48 2S -1.55099 7.64942 0.00000 -1.66806 7.52092
49 3S 0.83837 3.77101 0.00000 0.34820 3.81379
50 4S 0.01265 0.14897 0.00000 -0.00596 0.09860
51 5PX -0.52524 0.30530 0.00000 0.01940 0.82858
52 5PY 0.17068 0.04867 0.00000 0.63559 -0.00703
53 5PZ 0.00000 0.00000 0.49017 0.00000 0.00000
54 6PX 0.14468 4.08305 0.00000 0.31519 2.43595
55 6PY -1.90168 -1.82173 0.00000 1.63364 -0.87790
56 6PZ 0.00000 0.00000 2.17353 0.00000 0.00000
57 7PX 0.35165 0.99980 0.00000 0.30097 0.88792
58 7PY -0.50986 -0.52239 0.00000 -0.11005 -0.70389
59 7PZ 0.00000 0.00000 0.27198 0.00000 0.00000
60 8D 0 0.04578 -0.92741 0.00000 0.03336 -0.21738
61 8D+1 0.00000 0.00000 1.42180 0.00000 0.00000
62 8D-1 0.00000 0.00000 -0.33276 0.00000 0.00000
63 8D+2 -0.66882 1.10141 0.00000 0.57703 0.36841
64 8D-2 -0.82259 -0.84706 0.00000 1.05138 -0.22896
65 9D 0 -0.36386 -0.14498 0.00000 -0.23600 -0.17406
66 9D+1 0.00000 0.00000 0.40920 0.00000 0.00000
67 9D-1 0.00000 0.00000 -0.05105 0.00000 0.00000
68 9D+2 0.18209 0.15883 0.00000 0.08881 -0.27223
69 9D-2 -0.41763 -0.27325 0.00000 0.19764 -0.05321
70 3 Cl 1S 0.01584 0.00553 0.00000 0.02796 0.06660
71 2S 0.32087 0.14126 0.00000 0.51694 2.38657
72 3S 0.75682 0.29859 0.00000 1.23859 4.12702
73 4S -0.12093 -0.07993 0.00000 -0.32383 -2.94987
74 5S -1.49134 -0.93548 0.00000 -2.02344 -2.68724
75 6S 0.03342 -0.02696 0.00000 -0.28660 -0.13643
76 7PX -0.01276 -0.01698 0.00000 0.00913 -0.00763
77 7PY -0.14021 -0.04251 0.00000 -0.14234 0.06281
78 7PZ 0.00000 0.00000 -0.00051 0.00000 0.00000
79 8PX -0.20984 -0.29940 0.00000 0.05595 -0.07349
80 8PY -0.96127 -0.38585 0.00000 -0.67104 1.22036
81 8PZ 0.00000 0.00000 -0.05812 0.00000 0.00000
82 9PX 0.05823 0.06762 0.00000 -0.03668 0.01344
83 9PY 0.58658 0.18568 0.00000 0.60374 -0.20407
84 9PZ 0.00000 0.00000 0.00927 0.00000 0.00000
85 10PX 0.30592 -0.02906 0.00000 0.21991 0.61151
86 10PY -0.70985 -0.54768 0.00000 -1.21170 -1.95014
87 10PZ 0.00000 0.00000 -0.09832 0.00000 0.00000
88 11PX 0.02932 0.00882 0.00000 0.03111 0.05042
89 11PY 0.05576 0.04356 0.00000 0.00150 0.04336
90 11PZ 0.00000 0.00000 0.00506 0.00000 0.00000
91 12D 0 -0.10852 -0.02235 0.00000 -0.14523 -0.09248
92 12D+1 0.00000 0.00000 0.00560 0.00000 0.00000
93 12D-1 0.00000 0.00000 -0.02265 0.00000 0.00000
94 12D+2 -0.13162 -0.01244 0.00000 -0.21590 -0.13026
95 12D-2 -0.06972 -0.04200 0.00000 -0.01215 -0.00874
96 13D 0 0.50856 0.16156 0.00000 0.49758 -0.04025
97 13D+1 0.00000 0.00000 -0.01796 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.06530 0.00000 0.00000
99 13D+2 0.85543 0.27594 0.00000 0.61876 -0.12990
100 13D-2 -0.02353 -0.17254 0.00000 0.03411 0.12871
101 14D 0 0.14412 0.12016 0.00000 0.20494 0.53039
102 14D+1 0.00000 0.00000 -0.01862 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.07501 0.00000 0.00000
104 14D+2 0.06052 0.06693 0.00000 0.29736 0.75731
105 14D-2 0.22460 -0.02604 0.00000 0.10835 0.40032
106 15F 0 0.00000 0.00000 -0.00139 0.00000 0.00000
107 15F+1 0.07242 0.02995 0.00000 -0.04150 0.03882
108 15F-1 0.11403 0.04251 0.00000 0.12530 -0.19693
109 15F+2 0.00000 0.00000 0.01885 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.01203 0.00000 0.00000
111 15F+3 0.22988 0.04954 0.00000 -0.07172 0.00756
112 15F-3 0.34192 0.09673 0.00000 0.05694 -0.19718
113 16F 0 0.00000 0.00000 0.01804 0.00000 0.00000
114 16F+1 -0.10581 -0.07317 0.00000 0.05495 -0.11939
115 16F-1 0.30926 0.10037 0.00000 0.28970 0.37287
116 16F+2 0.00000 0.00000 0.05086 0.00000 0.00000
117 16F-2 0.00000 0.00000 -0.00551 0.00000 0.00000
118 16F+3 -0.21760 0.02086 0.00000 0.04464 -0.20073
119 16F-3 0.15242 0.02869 0.00000 0.21764 0.27375
106 107 108 109 110
V V V V V
Eigenvalues -- 6.29528 6.64651 6.72262 6.73553 6.76235
1 1 O 1S 0.08846 0.00000 -0.03484 0.00000 0.01818
2 2S -0.05858 0.00000 -0.09438 0.00000 0.08618
3 3S -0.09771 0.00000 0.05553 0.00000 -0.00275
4 4S -9.36540 0.00000 -0.47749 0.00000 -0.45799
5 5S -3.19534 0.00000 0.06973 0.00000 0.22052
6 6PX -0.64470 0.00000 -0.04601 0.00000 0.06968
7 6PY 0.28665 0.00000 0.12020 0.00000 -0.16998
8 6PZ 0.00000 0.00467 0.00000 0.06484 0.00000
9 7PX 2.58558 0.00000 0.26896 0.00000 -0.22850
10 7PY -0.69782 0.00000 -0.43009 0.00000 0.43327
11 7PZ 0.00000 -0.01254 0.00000 -0.19180 0.00000
12 8PX 5.13965 0.00000 0.89374 0.00000 0.94860
13 8PY -1.02130 0.00000 0.40741 0.00000 -0.38683
14 8PZ 0.00000 -0.23816 0.00000 0.90207 0.00000
15 9PX 0.42335 0.00000 0.02695 0.00000 0.09557
16 9PY 0.00571 0.00000 0.05295 0.00000 -0.09805
17 9PZ 0.00000 -0.01085 0.00000 0.14011 0.00000
18 10D 0 -0.21139 0.00000 -0.00050 0.00000 0.04003
19 10D+1 0.00000 -0.06237 0.00000 -0.03249 0.00000
20 10D-1 0.00000 -0.10726 0.00000 -0.09150 0.00000
21 10D+2 -0.03517 0.00000 0.09497 0.00000 -0.02071
22 10D-2 0.00013 0.00000 -0.04310 0.00000 -0.07411
23 11D 0 0.77821 0.00000 0.02977 0.00000 0.00399
24 11D+1 0.00000 0.08013 0.00000 0.04057 0.00000
25 11D-1 0.00000 0.05398 0.00000 0.03231 0.00000
26 11D+2 -1.21629 0.00000 -0.18059 0.00000 0.13359
27 11D-2 0.59612 0.00000 0.10651 0.00000 -0.04808
28 12D 0 0.54495 0.00000 0.43260 0.00000 0.06604
29 12D+1 0.00000 0.19197 0.00000 -0.07133 0.00000
30 12D-1 0.00000 0.21597 0.00000 -0.72399 0.00000
31 12D+2 -1.78084 0.00000 0.30687 0.00000 -0.47369
32 12D-2 0.56254 0.00000 -0.55084 0.00000 -0.44623
33 13F 0 0.00000 -0.31302 0.00000 0.96327 0.00000
34 13F+1 0.34833 0.00000 0.63259 0.00000 0.75464
35 13F-1 -0.04761 0.00000 1.00550 0.00000 -0.62825
36 13F+2 0.00000 0.27373 0.00000 0.82047 0.00000
37 13F-2 0.00000 1.16352 0.00000 0.05757 0.00000
38 13F+3 -0.14462 0.00000 0.28545 0.00000 0.49970
39 13F-3 0.12336 0.00000 -0.01488 0.00000 -0.61207
40 14F 0 0.00000 0.21479 0.00000 -0.67890 0.00000
41 14F+1 -0.53100 0.00000 -0.40175 0.00000 -0.49035
42 14F-1 0.30975 0.00000 -0.69477 0.00000 0.38197
43 14F+2 0.00000 -0.17059 0.00000 -0.67169 0.00000
44 14F-2 0.00000 -0.69753 0.00000 -0.02180 0.00000
45 14F+3 0.52299 0.00000 -0.33256 0.00000 -0.41894
46 14F-3 -0.13180 0.00000 -0.12130 0.00000 0.50476
47 2 H 1S 0.44671 0.00000 -0.10965 0.00000 -0.16099
48 2S 9.43355 0.00000 1.15771 0.00000 0.67524
49 3S 1.89001 0.00000 0.61349 0.00000 0.17221
50 4S 0.09050 0.00000 0.05342 0.00000 0.03125
51 5PX 0.85624 0.00000 0.03146 0.00000 -0.05820
52 5PY -0.31279 0.00000 0.21782 0.00000 -0.02819
53 5PZ 0.00000 -0.02324 0.00000 0.07566 0.00000
54 6PX 2.94760 0.00000 0.56629 0.00000 -0.04046
55 6PY -0.38425 0.00000 -0.58785 0.00000 -0.19650
56 6PZ 0.00000 0.19590 0.00000 -0.11261 0.00000
57 7PX 0.42280 0.00000 0.14814 0.00000 -0.06428
58 7PY 0.50023 0.00000 -0.33076 0.00000 -0.08839
59 7PZ 0.00000 0.07399 0.00000 -0.02892 0.00000
60 8D 0 -0.31936 0.00000 -0.05860 0.00000 0.02905
61 8D+1 0.00000 0.04473 0.00000 0.03025 0.00000
62 8D-1 0.00000 0.04454 0.00000 0.02014 0.00000
63 8D+2 0.52576 0.00000 0.07538 0.00000 -0.05053
64 8D-2 -0.17770 0.00000 0.03275 0.00000 -0.05008
65 9D 0 0.16579 0.00000 -0.22017 0.00000 -0.11147
66 9D+1 0.00000 -0.00683 0.00000 -0.03914 0.00000
67 9D-1 0.00000 -0.29501 0.00000 -0.00789 0.00000
68 9D+2 0.25632 0.00000 -0.07016 0.00000 -0.15191
69 9D-2 0.03555 0.00000 -0.09545 0.00000 0.09705
70 3 Cl 1S -0.05893 0.00000 0.03384 0.00000 -0.00850
71 2S -2.11163 0.00000 0.86527 0.00000 -0.00666
72 3S -3.63569 0.00000 1.72026 0.00000 -0.22238
73 4S 2.58365 0.00000 -0.92336 0.00000 -0.13163
74 5S 2.53192 0.00000 -1.02926 0.00000 -0.07282
75 6S 1.42126 0.00000 -0.53703 0.00000 -0.26289
76 7PX 0.00228 0.00000 -0.02008 0.00000 -0.02573
77 7PY -0.07650 0.00000 0.00246 0.00000 0.04156
78 7PZ 0.00000 0.01099 0.00000 -0.03086 0.00000
79 8PX 0.08057 0.00000 -0.26669 0.00000 -0.31241
80 8PY -1.05273 0.00000 0.53518 0.00000 0.00796
81 8PZ 0.00000 0.09248 0.00000 -0.39084 0.00000
82 9PX -0.01756 0.00000 0.08317 0.00000 0.10955
83 9PY 0.30877 0.00000 0.05102 0.00000 -0.22797
84 9PZ 0.00000 -0.04261 0.00000 0.13688 0.00000
85 10PX -0.55524 0.00000 -0.08783 0.00000 -0.20050
86 10PY 2.24471 0.00000 -1.11274 0.00000 -0.05340
87 10PZ 0.00000 0.02980 0.00000 -0.55309 0.00000
88 11PX -0.08441 0.00000 0.05107 0.00000 0.01807
89 11PY 0.33519 0.00000 -0.08902 0.00000 -0.06631
90 11PZ 0.00000 -0.01782 0.00000 -0.00438 0.00000
91 12D 0 0.06321 0.00000 -0.05552 0.00000 0.04447
92 12D+1 0.00000 0.02641 0.00000 0.00052 0.00000
93 12D-1 0.00000 -0.02426 0.00000 0.03613 0.00000
94 12D+2 0.08648 0.00000 -0.11022 0.00000 0.07392
95 12D-2 0.05167 0.00000 0.00319 0.00000 0.01920
96 13D 0 0.00667 0.00000 0.00849 0.00000 -0.09264
97 13D+1 0.00000 -0.11712 0.00000 -0.00169 0.00000
98 13D-1 0.00000 0.10143 0.00000 -0.52421 0.00000
99 13D+2 0.07354 0.00000 0.12284 0.00000 -0.12890
100 13D-2 -0.04096 0.00000 -0.24423 0.00000 -0.33872
101 14D 0 -0.62322 0.00000 0.26744 0.00000 0.03130
102 14D+1 0.00000 0.02068 0.00000 0.00810 0.00000
103 14D-1 0.00000 -0.01589 0.00000 -0.33278 0.00000
104 14D+2 -0.81464 0.00000 0.41444 0.00000 -0.02723
105 14D-2 -0.37971 0.00000 -0.03227 0.00000 -0.08753
106 15F 0 0.00000 -0.02326 0.00000 -0.02929 0.00000
107 15F+1 -0.03099 0.00000 0.01522 0.00000 0.02007
108 15F-1 0.28918 0.00000 -0.00608 0.00000 -0.10898
109 15F+2 0.00000 0.00250 0.00000 -0.03157 0.00000
110 15F-2 0.00000 -0.01409 0.00000 -0.00395 0.00000
111 15F+3 -0.13618 0.00000 0.01503 0.00000 0.01343
112 15F-3 0.26973 0.00000 0.00933 0.00000 -0.09626
113 16F 0 0.00000 0.00527 0.00000 0.24412 0.00000
114 16F+1 0.05117 0.00000 0.00601 0.00000 0.02231
115 16F-1 -0.40076 0.00000 0.09589 0.00000 0.01785
116 16F+2 0.00000 -0.04203 0.00000 0.29896 0.00000
117 16F-2 0.00000 -0.11241 0.00000 0.00524 0.00000
118 16F+3 0.17469 0.00000 0.09744 0.00000 0.16963
119 16F-3 -0.30801 0.00000 0.19963 0.00000 -0.04289
111 112 113 114 115
V V V V V
Eigenvalues -- 7.14373 7.17549 7.21556 7.24720 7.24982
1 1 O 1S 0.00000 0.00000 -0.05892 -0.10785 0.00000
2 2S 0.00000 0.00000 -0.04232 -0.16943 0.00000
3 3S 0.00000 0.00000 0.16500 0.23436 0.00000
4 4S 0.00000 0.00000 -0.04155 -0.20516 0.00000
5 5S 0.00000 0.00000 -0.00499 -0.26588 0.00000
6 6PX 0.00000 0.00000 0.02668 -0.02498 0.00000
7 6PY 0.00000 0.00000 -0.02922 -0.16080 0.00000
8 6PZ -0.10608 -0.12438 0.00000 0.00000 0.05114
9 7PX 0.00000 0.00000 -0.19188 -0.02611 0.00000
10 7PY 0.00000 0.00000 0.03705 0.39425 0.00000
11 7PZ 0.29019 0.37195 0.00000 0.00000 -0.15621
12 8PX 0.00000 0.00000 -0.11289 0.07820 0.00000
13 8PY 0.00000 0.00000 1.31235 0.34064 0.00000
14 8PZ 0.19632 -0.55292 0.00000 0.00000 -0.99286
15 9PX 0.00000 0.00000 -0.16467 -0.09650 0.00000
16 9PY 0.00000 0.00000 0.17211 -0.03949 0.00000
17 9PZ -0.19880 -0.05562 0.00000 0.00000 -0.08442
18 10D 0 0.00000 0.00000 -0.49327 -0.74417 0.00000
19 10D+1 0.68633 -0.12196 0.00000 0.00000 -1.03169
20 10D-1 0.85300 -0.57019 0.00000 0.00000 0.66768
21 10D+2 0.00000 0.00000 0.10312 0.05161 0.00000
22 10D-2 0.00000 0.00000 0.70308 0.47150 0.00000
23 11D 0 0.00000 0.00000 0.36670 0.53533 0.00000
24 11D+1 -0.81195 -0.34606 0.00000 0.00000 0.98460
25 11D-1 -0.61348 0.55324 0.00000 0.00000 -0.59551
26 11D+2 0.00000 0.00000 0.17630 -0.01856 0.00000
27 11D-2 0.00000 0.00000 -0.43054 -0.82723 0.00000
28 12D 0 0.00000 0.00000 -0.18041 -0.16362 0.00000
29 12D+1 0.26565 0.37230 0.00000 0.00000 0.21311
30 12D-1 0.15801 -0.31488 0.00000 0.00000 0.09782
31 12D+2 0.00000 0.00000 -0.17223 0.46424 0.00000
32 12D-2 0.00000 0.00000 -0.29091 -0.07229 0.00000
33 13F 0 -0.29103 -0.70647 0.00000 0.00000 -0.12075
34 13F+1 0.00000 0.00000 0.04641 0.08899 0.00000
35 13F-1 0.00000 0.00000 0.11626 -0.18916 0.00000
36 13F+2 0.52549 0.79854 0.00000 0.00000 0.20634
37 13F-2 -0.08066 -0.44872 0.00000 0.00000 -0.07241
38 13F+3 0.00000 0.00000 -0.61851 0.57140 0.00000
39 13F-3 0.00000 0.00000 -0.71703 0.70155 0.00000
40 14F 0 -0.04872 0.27654 0.00000 0.00000 0.19869
41 14F+1 0.00000 0.00000 -0.00857 -0.08958 0.00000
42 14F-1 0.00000 0.00000 -0.10496 -0.05240 0.00000
43 14F+2 -0.22311 -0.24629 0.00000 0.00000 -0.37930
44 14F-2 -0.01899 0.17801 0.00000 0.00000 0.14604
45 14F+3 0.00000 0.00000 0.35709 -0.44851 0.00000
46 14F-3 0.00000 0.00000 0.42876 -0.26104 0.00000
47 2 H 1S 0.00000 0.00000 -0.02046 -0.14990 0.00000
48 2S 0.00000 0.00000 -0.49950 -0.28440 0.00000
49 3S 0.00000 0.00000 -0.19100 0.70238 0.00000
50 4S 0.00000 0.00000 -0.00114 0.06290 0.00000
51 5PX 0.00000 0.00000 -0.03673 -0.29553 0.00000
52 5PY 0.00000 0.00000 0.34013 -0.27671 0.00000
53 5PZ -0.26751 -0.52524 0.00000 0.00000 -0.04038
54 6PX 0.00000 0.00000 -0.34988 0.23993 0.00000
55 6PY 0.00000 0.00000 -0.82666 -0.18685 0.00000
56 6PZ -0.15508 0.41869 0.00000 0.00000 1.09675
57 7PX 0.00000 0.00000 -0.07077 0.34031 0.00000
58 7PY 0.00000 0.00000 -0.50632 -0.14068 0.00000
59 7PZ 0.12759 0.34177 0.00000 0.00000 0.29356
60 8D 0 0.00000 0.00000 0.01910 -0.04618 0.00000
61 8D+1 -0.32789 -0.60774 0.00000 0.00000 0.06523
62 8D-1 0.14854 0.09275 0.00000 0.00000 0.02489
63 8D+2 0.00000 0.00000 0.07591 -0.33736 0.00000
64 8D-2 0.00000 0.00000 0.38254 -0.40917 0.00000
65 9D 0 0.00000 0.00000 0.00470 -0.14051 0.00000
66 9D+1 -0.05908 0.27943 0.00000 0.00000 0.51927
67 9D-1 -0.04855 -0.00703 0.00000 0.00000 -0.15937
68 9D+2 0.00000 0.00000 -0.16146 0.08262 0.00000
69 9D-2 0.00000 0.00000 -0.50408 -0.02212 0.00000
70 3 Cl 1S 0.00000 0.00000 -0.00069 0.01976 0.00000
71 2S 0.00000 0.00000 0.10505 0.55588 0.00000
72 3S 0.00000 0.00000 0.07492 1.03384 0.00000
73 4S 0.00000 0.00000 -0.23958 -0.69207 0.00000
74 5S 0.00000 0.00000 0.32227 -0.34096 0.00000
75 6S 0.00000 0.00000 0.14399 -0.19691 0.00000
76 7PX 0.00000 0.00000 -0.00778 -0.02298 0.00000
77 7PY 0.00000 0.00000 0.03612 0.02900 0.00000
78 7PZ -0.01840 0.00929 0.00000 0.00000 -0.01222
79 8PX 0.00000 0.00000 -0.01242 -0.28200 0.00000
80 8PY 0.00000 0.00000 0.30251 0.58678 0.00000
81 8PZ -0.16192 0.06010 0.00000 0.00000 -0.10804
82 9PX 0.00000 0.00000 0.02742 0.10825 0.00000
83 9PY 0.00000 0.00000 -0.18245 -0.11663 0.00000
84 9PZ 0.08356 -0.04226 0.00000 0.00000 0.05744
85 10PX 0.00000 0.00000 0.11898 0.06113 0.00000
86 10PY 0.00000 0.00000 0.25679 -0.42778 0.00000
87 10PZ 0.01123 -0.09404 0.00000 0.00000 0.09157
88 11PX 0.00000 0.00000 0.08183 0.05828 0.00000
89 11PY 0.00000 0.00000 0.01532 -0.00613 0.00000
90 11PZ 0.06645 -0.01444 0.00000 0.00000 0.00836
91 12D 0 0.00000 0.00000 0.02137 -0.03500 0.00000
92 12D+1 -0.00527 0.00268 0.00000 0.00000 0.01083
93 12D-1 0.03856 -0.02401 0.00000 0.00000 0.01902
94 12D+2 0.00000 0.00000 0.01467 -0.04580 0.00000
95 12D-2 0.00000 0.00000 0.03549 0.00372 0.00000
96 13D 0 0.00000 0.00000 -0.14625 -0.06423 0.00000
97 13D+1 0.01116 0.00298 0.00000 0.00000 -0.02585
98 13D-1 -0.24386 0.10094 0.00000 0.00000 -0.15006
99 13D+2 0.00000 0.00000 -0.16628 -0.15694 0.00000
100 13D-2 0.00000 0.00000 -0.01822 -0.30727 0.00000
101 14D 0 0.00000 0.00000 -0.01609 0.17332 0.00000
102 14D+1 -0.02298 0.00017 0.00000 0.00000 0.05688
103 14D-1 0.05707 -0.09382 0.00000 0.00000 0.10358
104 14D+2 0.00000 0.00000 -0.07782 0.14498 0.00000
105 14D-2 0.00000 0.00000 0.09021 0.08418 0.00000
106 15F 0 0.04876 -0.03595 0.00000 0.00000 0.05406
107 15F+1 0.00000 0.00000 0.00349 0.03536 0.00000
108 15F-1 0.00000 0.00000 -0.08172 -0.09289 0.00000
109 15F+2 0.06348 -0.06043 0.00000 0.00000 0.07608
110 15F-2 0.02296 0.02127 0.00000 0.00000 -0.02420
111 15F+3 0.00000 0.00000 0.03751 0.13228 0.00000
112 15F-3 0.00000 0.00000 -0.08511 -0.02645 0.00000
113 16F 0 0.06678 -0.03066 0.00000 0.00000 0.01726
114 16F+1 0.00000 0.00000 0.00423 0.01234 0.00000
115 16F-1 0.00000 0.00000 -0.03459 0.11960 0.00000
116 16F+2 0.08730 -0.00165 0.00000 0.00000 0.02266
117 16F-2 -0.01112 -0.00308 0.00000 0.00000 0.02856
118 16F+3 0.00000 0.00000 -0.03050 0.08362 0.00000
119 16F-3 0.00000 0.00000 0.01968 -0.03107 0.00000
116 117 118 119
V V V V
Eigenvalues -- 7.46336 7.56154 8.20097 14.41332
1 1 O 1S -0.26143 0.07831 -0.19478 1.75052
2 2S -0.71498 -0.17403 -0.41972 6.78918
3 3S 0.26503 -0.47003 0.24180 -2.53610
4 4S 3.98282 3.21949 6.29803 -3.15996
5 5S 1.53360 0.44167 2.19210 -3.26677
6 6PX 0.49217 0.33488 0.15224 0.31397
7 6PY -0.13701 -0.02508 0.03858 -0.09531
8 6PZ 0.00000 0.00000 0.00000 0.00000
9 7PX -1.53154 -0.72030 -1.59350 -2.77103
10 7PY 0.32306 0.21114 0.45420 0.42671
11 7PZ 0.00000 0.00000 0.00000 0.00000
12 8PX -2.25979 -1.10262 -0.82502 -0.53247
13 8PY -0.81998 -0.24835 -3.32917 4.84032
14 8PZ 0.00000 0.00000 0.00000 0.00000
15 9PX -0.07238 -0.01754 0.02755 0.11119
16 9PY -0.32120 0.05554 -0.59577 1.06042
17 9PZ 0.00000 0.00000 0.00000 0.00000
18 10D 0 -0.13045 0.78918 -0.05468 -0.30490
19 10D+1 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000
21 10D+2 -0.41132 0.12329 1.23881 0.09647
22 10D-2 -0.30483 0.84735 -0.26842 -0.13418
23 11D 0 -0.46764 -1.04318 -0.56207 -0.07357
24 11D+1 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000
26 11D+2 1.43418 -0.02437 -0.90638 1.26288
27 11D-2 0.05921 -1.23853 -0.13548 -0.27301
28 12D 0 -0.34932 -0.10061 -0.66436 1.05667
29 12D+1 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.39329 -0.06256 -0.85763 0.95294
32 12D-2 0.28185 -0.07584 0.11057 0.29001
33 13F 0 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.60353 0.26953 0.22878 0.32985
35 13F-1 -0.18193 -0.09152 -0.16235 -0.00033
36 13F+2 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000
38 13F+3 -0.80705 -0.03140 -0.30831 -0.38575
39 13F-3 0.46773 0.34100 0.15905 0.31512
40 14F 0 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.08747 0.04701 -0.12334 -0.26875
42 14F-1 0.04772 0.08434 0.43240 -0.32288
43 14F+2 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00729 -0.17573 0.40529 0.30791
46 14F-3 -0.28753 0.45002 0.39757 -0.72412
47 2 H 1S -1.07513 -0.73326 0.20455 0.01756
48 2S -3.17849 -1.90134 -3.10736 -3.86744
49 3S -0.31186 -0.17189 0.07251 -1.69274
50 4S 0.03381 -0.02552 0.09666 -0.28243
51 5PX -1.15902 -0.42077 -0.70832 -0.93370
52 5PY 0.36142 -0.11826 -0.00288 0.28286
53 5PZ 0.00000 0.00000 0.00000 0.00000
54 6PX -0.32052 -0.59340 -1.74108 -3.13388
55 6PY 0.83517 -0.48313 0.34369 0.71952
56 6PZ 0.00000 0.00000 0.00000 0.00000
57 7PX 0.01396 -0.17930 0.02916 -1.03615
58 7PY 0.03642 -0.25449 -0.09539 0.43175
59 7PZ 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.09006 -0.06478 0.48676 0.58136
61 8D+1 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.01200 0.02432 -0.61816 -0.91006
64 8D-2 0.24392 -0.33341 0.19824 0.49848
65 9D 0 -0.19483 -0.07552 0.07327 0.43324
66 9D+1 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.27652 -0.20476 -0.16459 -0.65025
69 9D-2 0.11480 -0.23099 -0.01609 0.30186
70 3 Cl 1S 0.02010 -0.01145 -0.01843 -0.00380
71 2S 0.48699 -0.40381 -0.59172 0.03865
72 3S 0.96585 -0.64837 -0.96404 -0.12937
73 4S -0.54738 0.68474 1.08940 -0.52516
74 5S -1.34495 -0.87587 -3.51588 5.62074
75 6S -1.01783 -0.18609 -1.61274 3.04775
76 7PX 0.01925 -0.01584 0.00982 -0.00127
77 7PY -0.01138 -0.06683 -0.13966 0.14897
78 7PZ 0.00000 0.00000 0.00000 0.00000
79 8PX 0.19989 -0.17318 0.15726 0.05494
80 8PY 0.16675 -1.06390 -2.36724 2.39225
81 8PZ 0.00000 0.00000 0.00000 0.00000
82 9PX -0.07783 0.07664 -0.04440 0.00547
83 9PY 0.00946 0.30843 0.60390 -0.62745
84 9PZ 0.00000 0.00000 0.00000 0.00000
85 10PX 0.23401 0.26859 0.10949 -0.01684
86 10PY -1.22882 -0.44288 -2.23215 4.03173
87 10PZ 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00694 0.01255 0.00874 -0.09528
89 11PY -0.18222 -0.02546 -0.21968 0.43123
90 11PZ 0.00000 0.00000 0.00000 0.00000
91 12D 0 -0.05723 0.01892 0.05767 0.00198
92 12D+1 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000
94 12D+2 -0.08381 0.05513 0.07495 -0.01653
95 12D-2 -0.03129 0.00079 0.00912 0.02536
96 13D 0 0.05662 0.30900 0.58462 -0.74869
97 13D+1 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.01205 0.48995 1.06287 -1.23630
100 13D-2 0.21839 -0.16402 0.15405 0.02307
101 14D 0 0.24310 0.01984 0.26429 -0.57547
102 14D+1 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.42475 0.01474 0.42072 -0.95171
105 14D-2 0.13766 0.22047 0.04444 -0.00180
106 15F 0 0.00000 0.00000 0.00000 0.00000
107 15F+1 -0.01964 0.04274 -0.02377 0.00293
108 15F-1 -0.08161 0.13074 0.17263 -0.09535
109 15F+2 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.02393 0.16886 -0.05466 -0.02669
112 15F-3 -0.17227 0.18067 0.23637 -0.13913
113 16F 0 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.01364 -0.01783 0.02286 0.01179
115 16F-1 0.12275 0.03185 0.08100 -0.26853
116 16F+2 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.14392 -0.02969 -0.04601 0.02530
119 16F-3 0.11432 0.00595 0.13351 -0.27872
Alpha Density Matrix:
1 2 3 4 5
1 1 O 1S 1.00034
2 2S -0.12277 0.28204
3 3S 0.01067 0.07808 0.02377
4 4S -0.08393 0.21570 0.06097 0.20445
5 5S -0.01189 0.03232 0.00928 0.03761 0.00951
6 6PX -0.01121 0.02842 0.00883 0.08166 0.02310
7 6PY -0.00980 0.02327 0.00799 0.02789 0.00585
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX -0.00899 0.03131 0.00999 0.09685 0.02774
10 7PY -0.00813 0.02508 0.00910 0.03330 0.00732
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX -0.00750 0.02213 0.00679 0.05413 0.01538
13 8PY -0.00803 0.01878 0.00658 0.02354 0.00573
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX -0.00015 0.00038 0.00014 0.00321 0.00129
16 9PY -0.00056 0.00080 0.00030 0.00039 -0.00015
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00010 -0.00004 0.00003 0.00120 0.00039
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 -0.00019 0.00072 0.00023 -0.00087 -0.00043
22 10D-2 0.00030 -0.00082 -0.00025 -0.00059 0.00003
23 11D 0 0.00163 -0.00260 -0.00060 0.00001 0.00034
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 -0.00010 -0.00013 0.00008 -0.00242 -0.00092
27 11D-2 0.00163 -0.00382 -0.00114 -0.00497 -0.00072
28 12D 0 -0.00019 -0.00020 -0.00004 -0.00101 -0.00028
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 -0.00088 0.00137 0.00052 0.00212 0.00063
32 12D-2 0.00129 -0.00352 -0.00103 -0.00500 -0.00097
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 -0.00011 0.00017 0.00004 -0.00042 -0.00016
35 13F-1 -0.00007 0.00008 0.00000 -0.00007 -0.00003
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 0.00018 -0.00041 -0.00011 -0.00023 0.00004
39 13F-3 -0.00029 0.00064 0.00016 0.00019 -0.00002
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 -0.00014 0.00018 0.00005 -0.00029 -0.00009
42 14F-1 -0.00016 0.00046 0.00010 0.00033 0.00007
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 0.00038 -0.00070 -0.00023 -0.00157 -0.00033
46 14F-3 -0.00077 0.00190 0.00050 0.00175 0.00029
47 2 H 1S -0.01162 0.02770 0.00741 -0.01145 -0.00785
48 2S 0.00061 -0.00151 -0.00111 -0.06001 -0.02028
49 3S 0.01010 -0.02636 -0.00765 -0.03384 -0.00934
50 4S 0.00036 -0.00067 -0.00022 -0.00047 -0.00008
51 5PX -0.00201 0.00537 0.00148 0.00078 -0.00049
52 5PY 0.00017 -0.00057 -0.00010 0.00091 0.00034
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX 0.00114 -0.00080 -0.00028 -0.00997 -0.00318
55 6PY -0.00047 0.00096 0.00046 0.00503 0.00135
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00229 -0.00517 -0.00144 -0.00354 -0.00072
58 7PY -0.00075 0.00212 0.00067 0.00263 0.00087
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00017 -0.00031 -0.00008 0.00052 0.00021
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 -0.00034 0.00059 0.00016 -0.00066 -0.00033
64 8D-2 0.00007 -0.00023 -0.00004 0.00057 0.00022
65 9D 0 -0.00029 0.00031 0.00008 0.00039 0.00003
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00036 0.00025 0.00011 0.00010 -0.00007
69 9D-2 -0.00022 0.00016 0.00009 0.00109 0.00036
70 3 Cl 1S 0.00062 -0.00179 -0.00067 -0.00436 -0.00012
71 2S -0.00259 0.00781 0.00277 0.01625 0.00010
72 3S 0.00556 -0.01617 -0.00583 -0.02755 0.00313
73 4S 0.00133 -0.00412 -0.00126 -0.00406 0.00050
74 5S 0.00903 -0.02584 -0.00760 -0.03166 0.00001
75 6S 0.00254 -0.00796 -0.00200 -0.00848 -0.00158
76 7PX -0.00078 0.00247 0.00079 0.00482 0.00977
77 7PY 0.00460 -0.01176 -0.00220 0.00554 0.00384
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00198 -0.00534 -0.00176 -0.01700 -0.02527
80 8PY -0.00666 0.01465 0.00207 -0.00202 -0.00417
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00096 -0.00273 -0.00090 -0.00842 -0.01197
83 9PY -0.00367 0.00751 0.00119 0.00166 -0.00128
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00321 -0.00939 -0.00292 -0.02173 -0.01827
86 10PY 0.00324 -0.01109 -0.00380 -0.01693 -0.00449
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00042 -0.00110 -0.00035 -0.00275 -0.00141
89 11PY 0.00076 -0.00213 -0.00057 -0.00233 -0.00061
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00148 -0.00347 -0.00084 -0.00201 -0.00016
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00262 -0.00620 -0.00152 -0.00398 -0.00036
95 12D-2 -0.00076 0.00216 0.00067 0.00489 0.00127
96 13D 0 0.00116 -0.00313 -0.00072 -0.00082 0.00014
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00211 -0.00571 -0.00135 -0.00213 0.00017
100 13D-2 -0.00094 0.00271 0.00085 0.00602 0.00156
101 14D 0 -0.00050 0.00164 0.00046 0.00188 0.00025
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 -0.00076 0.00278 0.00078 0.00292 0.00069
105 14D-2 0.00023 -0.00096 -0.00026 -0.00117 -0.00017
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00008 -0.00025 -0.00008 -0.00058 -0.00010
108 15F-1 0.00070 -0.00198 -0.00050 -0.00113 -0.00010
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00029 -0.00090 -0.00028 -0.00205 -0.00036
112 15F-3 0.00091 -0.00262 -0.00067 -0.00163 -0.00017
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00008 0.00002 0.00015 0.00010
115 16F-1 -0.00016 0.00026 0.00010 0.00081 0.00017
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00003 0.00014 0.00003 0.00011 0.00008
119 16F-3 -0.00011 0.00017 0.00008 0.00067 0.00023
6 7 8 9 10
6 6PX 0.09770
7 6PY 0.00693 0.06468
8 6PZ 0.00000 0.00000 0.13472
9 7PX 0.11843 0.00846 0.00000 0.14361
10 7PY 0.00984 0.08467 0.00000 0.01209 0.11098
11 7PZ 0.00000 0.00000 0.17142 0.00000 0.00000
12 8PX 0.06087 0.00458 0.00000 0.07374 0.00638
13 8PY 0.00694 0.05944 0.00000 0.00852 0.07786
14 8PZ 0.00000 0.00000 0.12873 0.00000 0.00000
15 9PX 0.00471 -0.00016 0.00000 0.00573 -0.00015
16 9PY -0.00094 0.00401 0.00000 -0.00114 0.00525
17 9PZ 0.00000 0.00000 0.01333 0.00000 0.00000
18 10D 0 0.00179 0.00081 0.00000 0.00218 0.00109
19 10D+1 0.00000 0.00000 -0.00182 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00077 0.00000 0.00000
21 10D+2 -0.00256 0.00170 0.00000 -0.00312 0.00219
22 10D-2 0.00011 -0.00100 0.00000 0.00015 -0.00129
23 11D 0 0.00227 0.00271 0.00000 0.00281 0.00366
24 11D+1 0.00000 0.00000 -0.00417 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.00472 0.00000 0.00000
26 11D+2 -0.00513 0.00673 0.00000 -0.00620 0.00879
27 11D-2 -0.00336 -0.00271 0.00000 -0.00404 -0.00354
28 12D 0 -0.00175 0.00171 0.00000 -0.00211 0.00224
29 12D+1 0.00000 0.00000 -0.00140 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.00625 0.00000 0.00000
31 12D+2 0.00073 0.00629 0.00000 0.00090 0.00825
32 12D-2 -0.00408 -0.00090 0.00000 -0.00491 -0.00117
33 13F 0 0.00000 0.00000 -0.00137 0.00000 0.00000
34 13F+1 -0.00087 0.00003 0.00000 -0.00106 0.00002
35 13F-1 -0.00001 -0.00097 0.00000 -0.00002 -0.00128
36 13F+2 0.00000 0.00000 -0.00007 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.00035 0.00000 0.00000
38 13F+3 0.00006 0.00010 0.00000 0.00008 0.00014
39 13F-3 -0.00029 -0.00056 0.00000 -0.00036 -0.00076
40 14F 0 0.00000 0.00000 -0.00209 0.00000 0.00000
41 14F+1 -0.00069 0.00019 0.00000 -0.00084 0.00024
42 14F-1 0.00025 -0.00110 0.00000 0.00029 -0.00145
43 14F+2 0.00000 0.00000 -0.00238 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00012 0.00000 0.00000
45 14F+3 -0.00153 -0.00112 0.00000 -0.00185 -0.00148
46 14F-3 0.00099 -0.00127 0.00000 0.00118 -0.00169
47 2 H 1S -0.05056 0.00935 0.00000 -0.06173 0.01103
48 2S -0.09483 0.00445 0.00000 -0.11521 0.00460
49 3S -0.02333 -0.00694 0.00000 -0.02810 -0.00889
50 4S 0.00037 -0.00154 0.00000 0.00045 -0.00200
51 5PX -0.00496 0.00140 0.00000 -0.00608 0.00166
52 5PY 0.00177 0.00178 0.00000 0.00216 0.00238
53 5PZ 0.00000 0.00000 0.00397 0.00000 0.00000
54 6PX -0.01528 0.00109 0.00000 -0.01855 0.00125
55 6PY 0.00581 0.00641 0.00000 0.00708 0.00848
56 6PZ 0.00000 0.00000 0.01148 0.00000 0.00000
57 7PX 0.00025 -0.00120 0.00000 0.00036 -0.00146
58 7PY 0.00133 0.00326 0.00000 0.00161 0.00426
59 7PZ 0.00000 0.00000 0.00553 0.00000 0.00000
60 8D 0 0.00121 -0.00020 0.00000 0.00147 -0.00024
61 8D+1 0.00000 0.00000 0.00194 0.00000 0.00000
62 8D-1 0.00000 0.00000 -0.00039 0.00000 0.00000
63 8D+2 -0.00186 0.00079 0.00000 -0.00227 0.00101
64 8D-2 0.00100 0.00089 0.00000 0.00122 0.00118
65 9D 0 0.00035 -0.00016 0.00000 0.00042 -0.00021
66 9D+1 0.00000 0.00000 0.00309 0.00000 0.00000
67 9D-1 0.00000 0.00000 -0.00041 0.00000 0.00000
68 9D+2 -0.00024 0.00097 0.00000 -0.00029 0.00127
69 9D-2 0.00117 0.00196 0.00000 0.00142 0.00259
70 3 Cl 1S -0.00010 -0.00203 0.00000 -0.00005 -0.00256
71 2S 0.00057 0.00652 0.00000 0.00045 0.00824
72 3S -0.00033 -0.01358 0.00000 -0.00011 -0.01820
73 4S 0.00049 0.00070 0.00000 0.00065 0.00088
74 5S -0.00928 0.01320 0.00000 -0.01079 0.01735
75 6S -0.00679 0.01201 0.00000 -0.00810 0.01587
76 7PX 0.00599 0.00081 0.00000 0.00753 0.00106
77 7PY 0.00163 0.04206 0.00000 0.00191 0.05473
78 7PZ 0.00000 0.00000 0.00805 0.00000 0.00000
79 8PX -0.01475 -0.00195 0.00000 -0.01812 -0.00256
80 8PY -0.00726 -0.08586 0.00000 -0.00944 -0.11322
81 8PZ 0.00000 0.00000 -0.02050 0.00000 0.00000
82 9PX -0.00711 -0.00104 0.00000 -0.00872 -0.00136
83 9PY -0.00118 -0.03894 0.00000 -0.00176 -0.05139
84 9PZ 0.00000 0.00000 -0.00958 0.00000 0.00000
85 10PX -0.02023 -0.00302 0.00000 -0.02464 -0.00399
86 10PY -0.01132 -0.02821 0.00000 -0.01377 -0.03698
87 10PZ 0.00000 0.00000 -0.03180 0.00000 0.00000
88 11PX -0.00285 -0.00082 0.00000 -0.00346 -0.00109
89 11PY -0.00170 0.00139 0.00000 -0.00203 0.00185
90 11PZ 0.00000 0.00000 -0.00514 0.00000 0.00000
91 12D 0 -0.00012 0.00494 0.00000 -0.00008 0.00656
92 12D+1 0.00000 0.00000 -0.00013 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00832 0.00000 0.00000
94 12D+2 -0.00078 0.00844 0.00000 -0.00083 0.01121
95 12D-2 0.00525 0.00109 0.00000 0.00636 0.00147
96 13D 0 0.00116 0.00614 0.00000 0.00147 0.00816
97 13D+1 0.00000 0.00000 -0.00018 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00936 0.00000 0.00000
99 13D+2 0.00132 0.01006 0.00000 0.00172 0.01335
100 13D-2 0.00630 0.00157 0.00000 0.00763 0.00209
101 14D 0 0.00139 -0.00033 0.00000 0.00166 -0.00045
102 14D+1 0.00000 0.00000 0.00017 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00240 0.00000 0.00000
104 14D+2 0.00189 -0.00063 0.00000 0.00227 -0.00087
105 14D-2 -0.00104 0.00056 0.00000 -0.00125 0.00074
106 15F 0 0.00000 0.00000 -0.00228 0.00000 0.00000
107 15F+1 -0.00064 -0.00010 0.00000 -0.00078 -0.00013
108 15F-1 0.00001 0.00221 0.00000 0.00004 0.00295
109 15F+2 0.00000 0.00000 -0.00296 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.00008 0.00000 0.00000
111 15F+3 -0.00228 -0.00033 0.00000 -0.00276 -0.00045
112 15F-3 -0.00018 0.00277 0.00000 -0.00017 0.00369
113 16F 0 0.00000 0.00000 0.00046 0.00000 0.00000
114 16F+1 0.00015 -0.00004 0.00000 0.00019 -0.00006
115 16F-1 0.00074 0.00111 0.00000 0.00090 0.00146
116 16F+2 0.00000 0.00000 0.00064 0.00000 0.00000
117 16F-2 0.00000 0.00000 -0.00004 0.00000 0.00000
118 16F+3 0.00008 -0.00022 0.00000 0.00009 -0.00029
119 16F-3 0.00064 0.00101 0.00000 0.00078 0.00133
11 12 13 14 15
11 7PZ 0.21811
12 8PX 0.00000 0.03826
13 8PY 0.00000 0.00457 0.05545
14 8PZ 0.16376 0.00000 0.00000 0.12381
15 9PX 0.00000 0.00303 -0.00003 0.00000 0.00029
16 9PY 0.00000 -0.00064 0.00366 0.00000 -0.00011
17 9PZ 0.01694 0.00000 0.00000 0.01327 0.00000
18 10D 0 0.00000 0.00111 0.00074 0.00000 0.00008
19 10D+1 -0.00232 0.00000 0.00000 -0.00174 0.00000
20 10D-1 -0.00098 0.00000 0.00000 -0.00066 0.00000
21 10D+2 0.00000 -0.00158 0.00150 0.00000 -0.00014
22 10D-2 0.00000 0.00010 -0.00089 0.00000 0.00004
23 11D 0 0.00000 0.00138 0.00249 0.00000 0.00011
24 11D+1 -0.00530 0.00000 0.00000 -0.00400 0.00000
25 11D-1 -0.00602 0.00000 0.00000 -0.00423 0.00000
26 11D+2 0.00000 -0.00319 0.00603 0.00000 -0.00031
27 11D-2 0.00000 -0.00196 -0.00242 0.00000 -0.00006
28 12D 0 0.00000 -0.00106 0.00156 0.00000 -0.00009
29 12D+1 -0.00178 0.00000 0.00000 -0.00135 0.00000
30 12D-1 -0.00796 0.00000 0.00000 -0.00584 0.00000
31 12D+2 0.00000 0.00051 0.00585 0.00000 0.00001
32 12D-2 0.00000 -0.00248 -0.00084 0.00000 -0.00014
33 13F 0 -0.00174 0.00000 0.00000 -0.00129 0.00000
34 13F+1 0.00000 -0.00053 0.00002 0.00000 -0.00004
35 13F-1 0.00000 -0.00001 -0.00088 0.00000 0.00001
36 13F+2 -0.00009 0.00000 0.00000 -0.00004 0.00000
37 13F-2 -0.00044 0.00000 0.00000 -0.00033 0.00000
38 13F+3 0.00000 0.00005 0.00011 0.00000 0.00001
39 13F-3 0.00000 -0.00017 -0.00052 0.00000 -0.00001
40 14F 0 -0.00266 0.00000 0.00000 -0.00195 0.00000
41 14F+1 0.00000 -0.00042 0.00018 0.00000 -0.00003
42 14F-1 0.00000 0.00016 -0.00099 0.00000 0.00002
43 14F+2 -0.00303 0.00000 0.00000 -0.00222 0.00000
44 14F-2 0.00016 0.00000 0.00000 0.00009 0.00000
45 14F+3 0.00000 -0.00092 -0.00101 0.00000 -0.00005
46 14F-3 0.00000 0.00062 -0.00115 0.00000 0.00004
47 2 H 1S 0.00000 -0.03091 0.00786 0.00000 -0.00270
48 2S 0.00000 -0.05890 0.00313 0.00000 -0.00484
49 3S 0.00000 -0.01556 -0.00684 0.00000 -0.00137
50 4S 0.00000 0.00019 -0.00136 0.00000 0.00002
51 5PX 0.00000 -0.00298 0.00118 0.00000 -0.00027
52 5PY 0.00000 0.00106 0.00165 0.00000 0.00007
53 5PZ 0.00505 0.00000 0.00000 0.00379 0.00000
54 6PX 0.00000 -0.00945 0.00087 0.00000 -0.00076
55 6PY 0.00000 0.00353 0.00589 0.00000 0.00021
56 6PZ 0.01460 0.00000 0.00000 0.01094 0.00000
57 7PX 0.00000 -0.00002 -0.00116 0.00000 -0.00001
58 7PY 0.00000 0.00094 0.00314 0.00000 0.00009
59 7PZ 0.00703 0.00000 0.00000 0.00533 0.00000
60 8D 0 0.00000 0.00074 -0.00017 0.00000 0.00006
61 8D+1 0.00247 0.00000 0.00000 0.00185 0.00000
62 8D-1 -0.00050 0.00000 0.00000 -0.00036 0.00000
63 8D+2 0.00000 -0.00115 0.00070 0.00000 -0.00010
64 8D-2 0.00000 0.00061 0.00082 0.00000 0.00004
65 9D 0 0.00000 0.00019 -0.00016 0.00000 0.00001
66 9D+1 0.00394 0.00000 0.00000 0.00292 0.00000
67 9D-1 -0.00052 0.00000 0.00000 -0.00035 0.00000
68 9D+2 0.00000 -0.00018 0.00090 0.00000 -0.00003
69 9D-2 0.00000 0.00074 0.00180 0.00000 0.00005
70 3 Cl 1S 0.00000 -0.00028 0.00113 0.00000 0.00008
71 2S 0.00000 0.00111 -0.00437 0.00000 -0.00032
72 3S 0.00000 -0.00170 0.00279 0.00000 0.00095
73 4S 0.00000 0.00007 0.00231 0.00000 0.00014
74 5S 0.00000 -0.00680 0.02239 0.00000 0.00016
75 6S 0.00000 -0.00431 0.01122 0.00000 -0.00037
76 7PX 0.00000 0.01199 0.00142 0.00000 0.00256
77 7PY 0.00000 0.00222 0.02968 0.00000 0.00046
78 7PZ 0.00996 0.00000 0.00000 0.01623 0.00000
79 8PX 0.00000 -0.01807 -0.00596 0.00000 -0.00472
80 8PY 0.00000 -0.00398 -0.08171 0.00000 0.00001
81 8PZ -0.02545 0.00000 0.00000 -0.03566 0.00000
82 9PX 0.00000 -0.00832 -0.00297 0.00000 -0.00219
83 9PY 0.00000 -0.00040 -0.03785 0.00000 0.00013
84 9PZ -0.01189 0.00000 0.00000 -0.01658 0.00000
85 10PX 0.00000 -0.01797 -0.00547 0.00000 -0.00339
86 10PY 0.00000 -0.00695 -0.02702 0.00000 -0.00036
87 10PZ -0.04008 0.00000 0.00000 -0.03992 0.00000
88 11PX 0.00000 -0.00206 -0.00090 0.00000 -0.00026
89 11PY 0.00000 -0.00111 0.00120 0.00000 -0.00011
90 11PZ -0.00652 0.00000 0.00000 -0.00547 0.00000
91 12D 0 0.00000 -0.00016 0.00468 0.00000 -0.00003
92 12D+1 -0.00017 0.00000 0.00000 -0.00010 0.00000
93 12D-1 0.01059 0.00000 0.00000 0.00797 0.00000
94 12D+2 0.00000 -0.00061 0.00802 0.00000 -0.00006
95 12D-2 0.00000 0.00326 0.00102 0.00000 0.00024
96 13D 0 0.00000 0.00062 0.00576 0.00000 0.00002
97 13D+1 -0.00022 0.00000 0.00000 -0.00012 0.00000
98 13D-1 0.01191 0.00000 0.00000 0.00898 0.00000
99 13D+2 0.00000 0.00069 0.00950 0.00000 0.00003
100 13D-2 0.00000 0.00391 0.00145 0.00000 0.00028
101 14D 0 0.00000 0.00080 -0.00029 0.00000 0.00003
102 14D+1 0.00022 0.00000 0.00000 0.00027 0.00000
103 14D-1 -0.00306 0.00000 0.00000 -0.00200 0.00000
104 14D+2 0.00000 0.00121 -0.00047 0.00000 0.00010
105 14D-2 0.00000 -0.00060 0.00048 0.00000 -0.00003
106 15F 0 -0.00291 0.00000 0.00000 -0.00208 0.00000
107 15F+1 0.00000 -0.00038 -0.00008 0.00000 -0.00002
108 15F-1 0.00000 -0.00003 0.00207 0.00000 -0.00001
109 15F+2 -0.00377 0.00000 0.00000 -0.00270 0.00000
110 15F-2 -0.00011 0.00000 0.00000 -0.00008 0.00000
111 15F+3 0.00000 -0.00134 -0.00028 0.00000 -0.00007
112 15F-3 0.00000 -0.00016 0.00260 0.00000 -0.00002
113 16F 0 0.00058 0.00000 0.00000 0.00049 0.00000
114 16F+1 0.00000 0.00012 -0.00002 0.00000 0.00002
115 16F-1 0.00000 0.00045 0.00097 0.00000 0.00002
116 16F+2 0.00082 0.00000 0.00000 0.00063 0.00000
117 16F-2 -0.00006 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00008 -0.00018 0.00000 0.00002
119 16F-3 0.00000 0.00042 0.00092 0.00000 0.00003
16 17 18 19 20
16 9PY 0.00029
17 9PZ 0.00000 0.00168
18 10D 0 0.00003 0.00000 0.00004
19 10D+1 0.00000 -0.00018 0.00000 0.00002
20 10D-1 0.00000 -0.00002 0.00000 0.00001 0.00001
21 10D+2 0.00015 0.00000 -0.00003 0.00000 0.00000
22 10D-2 -0.00008 0.00000 -0.00001 0.00000 0.00000
23 11D 0 0.00014 0.00000 0.00008 0.00000 0.00000
24 11D+1 0.00000 -0.00042 0.00000 0.00006 0.00002
25 11D-1 0.00000 -0.00028 0.00000 0.00006 0.00005
26 11D+2 0.00051 0.00000 -0.00001 0.00000 0.00000
27 11D-2 -0.00017 0.00000 -0.00008 0.00000 0.00000
28 12D 0 0.00013 0.00000 -0.00001 0.00000 0.00000
29 12D+1 0.00000 -0.00014 0.00000 0.00002 0.00001
30 12D-1 0.00000 -0.00053 0.00000 0.00008 0.00005
31 12D+2 0.00038 0.00000 0.00008 0.00000 0.00000
32 12D-2 -0.00003 0.00000 -0.00007 0.00000 0.00000
33 13F 0 0.00000 -0.00012 0.00000 0.00002 0.00001
34 13F+1 0.00001 0.00000 -0.00002 0.00000 0.00000
35 13F-1 -0.00006 0.00000 -0.00001 0.00000 0.00000
36 13F+2 0.00000 0.00001 0.00000 0.00000 0.00000
37 13F-2 0.00000 -0.00004 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.00003 0.00000 -0.00001 0.00000 0.00000
40 14F 0 0.00000 -0.00018 0.00000 0.00003 0.00002
41 14F+1 0.00002 0.00000 -0.00001 0.00000 0.00000
42 14F-1 -0.00008 0.00000 -0.00001 0.00000 0.00000
43 14F+2 0.00000 -0.00020 0.00000 0.00003 0.00002
44 14F-2 0.00000 -0.00001 0.00000 0.00000 0.00000
45 14F+3 -0.00006 0.00000 -0.00004 0.00000 0.00000
46 14F-3 -0.00009 0.00000 0.00000 0.00000 0.00000
47 2 H 1S 0.00129 0.00000 -0.00090 0.00000 0.00000
48 2S 0.00167 0.00000 -0.00168 0.00000 0.00000
49 3S 0.00011 0.00000 -0.00043 0.00000 0.00000
50 4S -0.00010 0.00000 -0.00001 0.00000 0.00000
51 5PX 0.00015 0.00000 -0.00009 0.00000 0.00000
52 5PY 0.00009 0.00000 0.00005 0.00000 0.00000
53 5PZ 0.00000 0.00039 0.00000 -0.00005 -0.00002
54 6PX 0.00028 0.00000 -0.00026 0.00000 0.00000
55 6PY 0.00034 0.00000 0.00018 0.00000 0.00000
56 6PZ 0.00000 0.00111 0.00000 -0.00016 -0.00007
57 7PX -0.00005 0.00000 0.00001 0.00000 0.00000
58 7PY 0.00016 0.00000 0.00005 0.00000 0.00000
59 7PZ 0.00000 0.00058 0.00000 -0.00007 -0.00003
60 8D 0 -0.00003 0.00000 0.00002 0.00000 0.00000
61 8D+1 0.00000 0.00019 0.00000 -0.00003 -0.00001
62 8D-1 0.00000 -0.00003 0.00000 0.00001 0.00000
63 8D+2 0.00008 0.00000 -0.00003 0.00000 0.00000
64 8D-2 0.00004 0.00000 0.00003 0.00000 0.00000
65 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00029 0.00000 -0.00004 -0.00002
67 9D-1 0.00000 -0.00002 0.00000 0.00001 0.00001
68 9D+2 0.00007 0.00000 0.00001 0.00000 0.00000
69 9D-2 0.00010 0.00000 0.00004 0.00000 0.00000
70 3 Cl 1S 0.00011 0.00000 -0.00009 0.00000 0.00000
71 2S -0.00029 0.00000 0.00032 0.00000 0.00000
72 3S -0.00104 0.00000 -0.00066 0.00000 0.00000
73 4S -0.00005 0.00000 -0.00004 0.00000 0.00000
74 5S 0.00083 0.00000 -0.00029 0.00000 0.00000
75 6S 0.00086 0.00000 0.00004 0.00000 0.00000
76 7PX -0.00066 0.00000 0.00013 0.00000 0.00000
77 7PY 0.00128 0.00000 0.00049 0.00000 0.00000
78 7PZ 0.00000 0.00589 0.00000 -0.00010 0.00068
79 8PX 0.00247 0.00000 -0.00035 0.00000 0.00000
80 8PY -0.00534 0.00000 -0.00108 0.00000 0.00000
81 8PZ 0.00000 -0.01272 0.00000 0.00026 -0.00144
82 9PX 0.00118 0.00000 -0.00017 0.00000 0.00000
83 9PY -0.00254 0.00000 -0.00046 0.00000 0.00000
84 9PZ 0.00000 -0.00592 0.00000 0.00012 -0.00067
85 10PX 0.00154 0.00000 -0.00041 0.00000 0.00000
86 10PY -0.00164 0.00000 -0.00046 0.00000 0.00000
87 10PZ 0.00000 -0.00950 0.00000 0.00042 -0.00074
88 11PX 0.00006 0.00000 -0.00006 0.00000 0.00000
89 11PY 0.00013 0.00000 -0.00001 0.00000 0.00000
90 11PZ 0.00000 -0.00088 0.00000 0.00007 -0.00002
91 12D 0 0.00032 0.00000 0.00006 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00084 0.00000 -0.00011 -0.00005
94 12D+2 0.00055 0.00000 0.00010 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00010 0.00000 0.00000
96 13D 0 0.00038 0.00000 0.00010 0.00000 0.00000
97 13D+1 0.00000 0.00002 0.00000 0.00000 0.00001
98 13D-1 0.00000 0.00095 0.00000 -0.00013 -0.00005
99 13D+2 0.00062 0.00000 0.00015 0.00000 0.00000
100 13D-2 0.00001 0.00000 0.00013 0.00000 0.00000
101 14D 0 -0.00002 0.00000 0.00001 0.00000 0.00000
102 14D+1 0.00000 0.00009 0.00000 0.00000 0.00001
103 14D-1 0.00000 -0.00004 0.00000 0.00003 0.00004
104 14D+2 -0.00007 0.00000 0.00001 0.00000 0.00000
105 14D-2 0.00004 0.00000 -0.00001 0.00000 0.00000
106 15F 0 0.00000 -0.00016 0.00000 0.00003 0.00002
107 15F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
108 15F-1 0.00014 0.00000 0.00003 0.00000 0.00000
109 15F+2 0.00000 -0.00021 0.00000 0.00004 0.00003
110 15F-2 0.00000 -0.00001 0.00000 0.00000 0.00000
111 15F+3 -0.00001 0.00000 -0.00004 0.00000 0.00000
112 15F-3 0.00018 0.00000 0.00004 0.00000 0.00000
113 16F 0 0.00000 0.00008 0.00000 -0.00001 0.00000
114 16F+1 -0.00001 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00006 0.00000 0.00003 0.00000 0.00000
116 16F+2 0.00000 0.00007 0.00000 -0.00001 0.00000
117 16F-2 0.00000 0.00002 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00005 0.00000 0.00002 0.00000 0.00000
21 22 23 24 25
21 10D+2 0.00013
22 10D-2 -0.00003 0.00003
23 11D 0 0.00001 -0.00003 0.00023
24 11D+1 0.00000 0.00000 0.00000 0.00013
25 11D-1 0.00000 0.00000 0.00000 0.00014 0.00027
26 11D+2 0.00035 -0.00012 0.00019 0.00000 0.00000
27 11D-2 0.00001 0.00007 -0.00013 0.00000 0.00000
28 12D 0 0.00010 -0.00003 0.00004 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00004 0.00005
30 12D-1 0.00000 0.00000 0.00000 0.00019 0.00027
31 12D+2 0.00016 -0.00008 0.00028 0.00000 0.00000
32 12D-2 0.00008 0.00003 -0.00008 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00004 0.00006
34 13F+1 0.00003 0.00000 -0.00002 0.00000 0.00000
35 13F-1 -0.00003 0.00001 -0.00005 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00001
37 13F-2 0.00000 0.00000 0.00000 0.00001 0.00001
38 13F+3 0.00000 0.00000 0.00001 0.00000 0.00000
39 13F-3 -0.00001 0.00001 -0.00004 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00006 0.00009
41 14F+1 0.00003 0.00000 -0.00001 0.00000 0.00000
42 14F-1 -0.00004 0.00002 -0.00005 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00007 0.00010
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00001
45 14F+3 0.00001 0.00002 -0.00008 0.00000 0.00000
46 14F-3 -0.00006 0.00001 -0.00007 0.00000 0.00000
47 2 H 1S 0.00183 -0.00035 -0.00125 0.00000 0.00000
48 2S 0.00289 -0.00038 -0.00212 0.00000 0.00000
49 3S 0.00042 -0.00005 -0.00051 0.00000 0.00000
50 4S -0.00006 0.00002 -0.00006 0.00000 0.00000
51 5PX 0.00020 -0.00005 -0.00014 0.00000 0.00000
52 5PY 0.00000 -0.00002 0.00013 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 -0.00012 -0.00014
54 6PX 0.00047 -0.00006 -0.00031 0.00000 0.00000
55 6PY 0.00002 -0.00010 0.00041 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 -0.00035 -0.00041
57 7PX -0.00005 0.00001 0.00003 0.00000 0.00000
58 7PY 0.00005 -0.00003 0.00014 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 -0.00017 -0.00018
60 8D 0 -0.00004 0.00001 0.00003 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 -0.00006 -0.00007
62 8D-1 0.00000 0.00000 0.00000 0.00001 0.00002
63 8D+2 0.00008 -0.00002 -0.00002 0.00000 0.00000
64 8D-2 0.00000 -0.00001 0.00007 0.00000 0.00000
65 9D 0 -0.00001 0.00000 -0.00001 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 -0.00010 -0.00012
67 9D-1 0.00000 0.00000 0.00000 0.00001 0.00003
68 9D+2 0.00003 -0.00002 0.00003 0.00000 0.00000
69 9D-2 0.00002 -0.00002 0.00012 0.00000 0.00000
70 3 Cl 1S -0.00018 0.00003 -0.00025 0.00000 0.00000
71 2S 0.00064 -0.00012 0.00093 0.00000 0.00000
72 3S -0.00140 0.00020 -0.00227 0.00000 0.00000
73 4S -0.00013 -0.00001 -0.00015 0.00000 0.00000
74 5S -0.00007 -0.00016 -0.00045 0.00000 0.00000
75 6S 0.00051 -0.00018 0.00049 0.00000 0.00000
76 7PX -0.00018 0.00076 0.00058 0.00000 0.00000
77 7PY 0.00100 -0.00063 0.00144 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 -0.00044 0.00221
79 8PX 0.00047 -0.00166 -0.00091 0.00000 0.00000
80 8PY -0.00202 0.00124 -0.00394 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00094 -0.00503
82 9PX 0.00022 -0.00077 -0.00042 0.00000 0.00000
83 9PY -0.00097 0.00056 -0.00178 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00044 -0.00235
85 10PX 0.00055 -0.00099 -0.00080 0.00000 0.00000
86 10PY -0.00043 0.00044 -0.00122 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00117 -0.00230
88 11PX 0.00006 -0.00005 -0.00011 0.00000 0.00000
89 11PY 0.00009 -0.00003 0.00006 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00017 -0.00002
91 12D 0 0.00013 -0.00007 0.00026 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
93 12D-1 0.00000 0.00000 0.00000 -0.00026 -0.00029
94 12D+2 0.00023 -0.00012 0.00044 0.00000 0.00000
95 12D-2 -0.00012 -0.00001 0.00014 0.00000 0.00000
96 13D 0 0.00012 -0.00009 0.00034 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00002
98 13D-1 0.00000 0.00000 0.00000 -0.00029 -0.00032
99 13D+2 0.00022 -0.00014 0.00054 0.00000 0.00000
100 13D-2 -0.00013 -0.00001 0.00018 0.00000 0.00000
101 14D 0 -0.00005 -0.00001 -0.00002 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 -0.00001 0.00003
103 14D-1 0.00000 0.00000 0.00000 0.00007 0.00019
104 14D+2 -0.00007 0.00001 -0.00004 0.00000 0.00000
105 14D-2 0.00005 0.00000 0.00002 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00007 0.00012
107 15F+1 0.00001 0.00000 -0.00001 0.00000 0.00000
108 15F-1 0.00006 -0.00003 0.00013 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00009 0.00015
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00005 0.00002 -0.00005 0.00000 0.00000
112 15F-3 0.00007 -0.00004 0.00016 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 -0.00002 0.00000
114 16F+1 -0.00001 0.00001 0.00000 0.00000 0.00000
115 16F-1 0.00001 -0.00002 0.00007 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 -0.00002 -0.00002
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00002
118 16F+3 -0.00001 0.00001 -0.00001 0.00000 0.00000
119 16F-3 0.00001 -0.00001 0.00006 0.00000 0.00000
26 27 28 29 30
26 11D+2 0.00109
27 11D-2 -0.00010 0.00034
28 12D 0 0.00030 0.00001 0.00009
29 12D+1 0.00000 0.00000 0.00000 0.00001
30 12D-1 0.00000 0.00000 0.00000 0.00006 0.00031
31 12D+2 0.00065 -0.00022 0.00017 0.00000 0.00000
32 12D-2 0.00016 0.00025 0.00007 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00001 0.00007
34 13F+1 0.00005 0.00003 0.00002 0.00000 0.00000
35 13F-1 -0.00011 0.00003 -0.00003 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00001
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00002
38 13F+3 0.00001 0.00001 0.00000 0.00000 0.00000
39 13F-3 -0.00005 0.00002 -0.00001 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00002 0.00010
41 14F+1 0.00006 0.00002 0.00002 0.00000 0.00000
42 14F-1 -0.00014 0.00003 -0.00004 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00002 0.00012
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00001
45 14F+3 -0.00004 0.00011 0.00000 0.00000 0.00000
46 14F-3 -0.00021 -0.00002 -0.00006 0.00000 0.00000
47 2 H 1S 0.00395 0.00089 0.00122 0.00000 0.00000
48 2S 0.00615 0.00248 0.00197 0.00000 0.00000
49 3S 0.00078 0.00063 0.00022 0.00000 0.00000
50 4S -0.00020 0.00003 -0.00006 0.00000 0.00000
51 5PX 0.00043 0.00006 0.00013 0.00000 0.00000
52 5PY 0.00010 -0.00012 0.00002 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 -0.00004 -0.00018
54 6PX 0.00103 0.00043 0.00033 0.00000 0.00000
55 6PY 0.00037 -0.00046 0.00006 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 -0.00012 -0.00054
57 7PX -0.00011 0.00001 -0.00004 0.00000 0.00000
58 7PY 0.00025 -0.00010 0.00007 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 -0.00006 -0.00025
60 8D 0 -0.00009 -0.00003 -0.00003 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 -0.00002 -0.00009
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00002
63 8D+2 0.00020 0.00002 0.00006 0.00000 0.00000
64 8D-2 0.00004 -0.00006 0.00001 0.00000 0.00000
65 9D 0 -0.00004 -0.00003 -0.00001 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 -0.00003 -0.00015
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002
68 9D+2 0.00012 -0.00005 0.00003 0.00000 0.00000
69 9D-2 0.00015 -0.00009 0.00004 0.00000 0.00000
70 3 Cl 1S -0.00057 0.00003 -0.00002 0.00000 0.00000
71 2S 0.00208 -0.00012 0.00017 0.00000 0.00000
72 3S -0.00471 0.00037 -0.00106 0.00000 0.00000
73 4S -0.00036 -0.00004 -0.00010 0.00000 0.00000
74 5S 0.00000 -0.00003 0.00018 0.00000 0.00000
75 6S 0.00176 -0.00014 0.00049 0.00000 0.00000
76 7PX -0.00075 0.00260 0.00052 0.00000 0.00000
77 7PY 0.00367 -0.00125 0.00007 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 -0.00033 -0.00009
79 8PX 0.00124 -0.00557 -0.00056 0.00000 0.00000
80 8PY -0.00868 0.00322 -0.00224 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00039 -0.00161
82 9PX 0.00056 -0.00258 -0.00025 0.00000 0.00000
83 9PY -0.00410 0.00139 -0.00114 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00017 -0.00080
85 10PX 0.00126 -0.00291 -0.00016 0.00000 0.00000
86 10PY -0.00220 0.00153 -0.00052 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00043 -0.00005
88 11PX 0.00010 -0.00007 0.00001 0.00000 0.00000
89 11PY 0.00028 -0.00001 0.00008 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00006 0.00015
91 12D 0 0.00055 -0.00016 0.00015 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
93 12D-1 0.00000 0.00000 0.00000 -0.00009 -0.00038
94 12D+2 0.00098 -0.00023 0.00026 0.00000 0.00000
95 12D-2 -0.00020 -0.00023 -0.00008 0.00000 0.00000
96 13D 0 0.00061 -0.00025 0.00015 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00002
98 13D-1 0.00000 0.00000 0.00000 -0.00010 -0.00043
99 13D+2 0.00102 -0.00037 0.00026 0.00000 0.00000
100 13D-2 -0.00020 -0.00027 -0.00008 0.00000 0.00000
101 14D 0 -0.00013 -0.00010 -0.00005 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00001
103 14D-1 0.00000 0.00000 0.00000 0.00002 0.00016
104 14D+2 -0.00022 -0.00005 -0.00007 0.00000 0.00000
105 14D-2 0.00014 0.00006 0.00004 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00002 0.00012
107 15F+1 0.00003 0.00004 0.00001 0.00000 0.00000
108 15F-1 0.00025 -0.00007 0.00007 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00003 0.00016
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00010 0.00014 0.00004 0.00000 0.00000
112 15F-3 0.00033 -0.00007 0.00009 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 -0.00001 -0.00001
114 16F+1 -0.00002 0.00001 0.00000 0.00000 0.00000
115 16F-1 0.00009 -0.00007 0.00002 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 -0.00001 -0.00003
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00001
118 16F+3 -0.00003 0.00002 -0.00001 0.00000 0.00000
119 16F-3 0.00007 -0.00004 0.00002 0.00000 0.00000
31 32 33 34 35
31 12D+2 0.00064
32 12D-2 -0.00006 0.00024
33 13F 0 0.00000 0.00000 0.00001
34 13F+1 0.00000 0.00003 0.00000 0.00001
35 13F-1 -0.00010 0.00001 0.00000 0.00000 0.00002
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 0.00002 0.00001 0.00000 0.00000 0.00000
39 13F-3 -0.00006 0.00001 0.00000 0.00000 0.00001
40 14F 0 0.00000 0.00000 0.00002 0.00000 0.00000
41 14F+1 0.00002 0.00003 0.00000 0.00001 0.00000
42 14F-1 -0.00011 -0.00001 0.00000 0.00000 0.00002
43 14F+2 0.00000 0.00000 0.00003 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00010 0.00009 0.00000 0.00001 0.00002
46 14F-3 -0.00013 -0.00006 0.00000 -0.00001 0.00002
47 2 H 1S 0.00073 0.00165 0.00000 0.00052 -0.00013
48 2S 0.00024 0.00357 0.00000 0.00089 -0.00012
49 3S -0.00081 0.00089 0.00000 0.00016 0.00005
50 4S -0.00015 -0.00001 0.00000 -0.00001 0.00002
51 5PX 0.00011 0.00014 0.00000 0.00006 -0.00002
52 5PY 0.00018 -0.00008 0.00000 -0.00002 -0.00003
53 5PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
54 6PX 0.00009 0.00060 0.00000 0.00014 -0.00003
55 6PY 0.00061 -0.00030 0.00000 -0.00005 -0.00010
56 6PZ 0.00000 0.00000 -0.00012 0.00000 0.00000
57 7PX -0.00013 0.00001 0.00000 -0.00001 0.00001
58 7PY 0.00034 -0.00006 0.00000 -0.00001 -0.00005
59 7PZ 0.00000 0.00000 -0.00005 0.00000 0.00000
60 8D 0 -0.00002 -0.00004 0.00000 -0.00001 0.00000
61 8D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00007 0.00006 0.00000 0.00002 -0.00001
64 8D-2 0.00009 -0.00004 0.00000 -0.00001 -0.00001
65 9D 0 -0.00002 -0.00003 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 -0.00003 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
68 9D+2 0.00009 -0.00002 0.00000 0.00000 -0.00001
69 9D-2 0.00020 -0.00005 0.00000 -0.00001 -0.00003
70 3 Cl 1S 0.00006 -0.00023 0.00000 -0.00001 0.00005
71 2S -0.00006 0.00074 0.00000 0.00002 -0.00017
72 3S -0.00131 -0.00083 0.00000 -0.00004 0.00041
73 4S 0.00001 -0.00009 0.00000 -0.00001 0.00001
74 5S 0.00144 -0.00015 0.00000 0.00006 -0.00011
75 6S 0.00122 0.00025 0.00000 0.00006 -0.00020
76 7PX -0.00049 0.00030 0.00000 0.00003 0.00001
77 7PY 0.00109 0.00108 0.00000 0.00003 -0.00068
78 7PZ 0.00000 0.00000 0.00015 0.00000 0.00000
79 8PX -0.00216 -0.00277 0.00000 0.00001 -0.00001
80 8PY -0.00846 0.00090 0.00000 0.00002 0.00132
81 8PZ 0.00000 0.00000 -0.00022 0.00000 0.00000
82 9PX -0.00111 -0.00135 0.00000 0.00001 0.00000
83 9PY -0.00406 0.00041 0.00000 -0.00001 0.00060
84 9PZ 0.00000 0.00000 -0.00010 0.00000 0.00000
85 10PX -0.00149 -0.00116 0.00000 0.00010 0.00001
86 10PY -0.00271 0.00084 0.00000 0.00007 0.00040
87 10PZ 0.00000 0.00000 0.00007 0.00000 0.00000
88 11PX -0.00014 0.00002 0.00000 0.00002 0.00001
89 11PY 0.00014 0.00006 0.00000 0.00001 -0.00003
90 11PZ 0.00000 0.00000 0.00004 0.00000 0.00000
91 12D 0 0.00050 -0.00001 0.00000 0.00000 -0.00008
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 -0.00008 0.00000 0.00000
94 12D+2 0.00085 0.00001 0.00000 0.00001 -0.00014
95 12D-2 0.00010 -0.00024 0.00000 -0.00005 -0.00001
96 13D 0 0.00060 -0.00008 0.00000 -0.00001 -0.00010
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.00009 0.00000 0.00000
99 13D+2 0.00100 -0.00009 0.00000 -0.00001 -0.00016
100 13D-2 0.00015 -0.00028 0.00000 -0.00005 -0.00002
101 14D 0 -0.00006 -0.00010 0.00000 -0.00001 0.00001
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00003 0.00000 0.00000
104 14D+2 -0.00007 -0.00010 0.00000 -0.00001 0.00002
105 14D-2 0.00007 0.00007 0.00000 0.00001 -0.00001
106 15F 0 0.00000 0.00000 0.00003 0.00000 0.00000
107 15F+1 0.00000 0.00004 0.00000 0.00001 0.00000
108 15F-1 0.00022 0.00000 0.00000 0.00000 -0.00004
109 15F+2 0.00000 0.00000 0.00003 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 -0.00001 0.00013 0.00000 0.00002 0.00000
112 15F-3 0.00028 0.00001 0.00000 0.00000 -0.00005
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00010 -0.00004 0.00000 -0.00001 -0.00002
116 16F+2 0.00000 0.00000 -0.00001 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00010 -0.00002 0.00000 0.00000 -0.00002
36 37 38 39 40
36 13F+2 0.00000
37 13F-2 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00001
40 14F 0 0.00000 0.00001 0.00000 0.00000 0.00003
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00001 0.00000
43 14F+2 0.00000 0.00001 0.00000 0.00000 0.00004
44 14F-2 0.00000 0.00000 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 -0.00001 0.00002 0.00000
47 2 H 1S 0.00000 0.00000 -0.00008 0.00017 0.00000
48 2S 0.00000 0.00000 -0.00010 0.00026 0.00000
49 3S 0.00000 0.00000 -0.00006 0.00006 0.00000
50 4S 0.00000 0.00000 0.00000 0.00001 0.00000
51 5PX 0.00000 0.00000 -0.00001 0.00002 0.00000
52 5PY 0.00000 0.00000 0.00000 -0.00002 0.00000
53 5PZ 0.00000 -0.00001 0.00000 0.00000 -0.00006
54 6PX 0.00000 0.00000 -0.00001 0.00004 0.00000
55 6PY 0.00000 0.00000 0.00001 -0.00008 0.00000
56 6PZ -0.00001 -0.00003 0.00000 0.00000 -0.00018
57 7PX 0.00000 0.00000 0.00000 -0.00001 0.00000
58 7PY 0.00000 0.00000 0.00001 -0.00003 0.00000
59 7PZ 0.00000 -0.00001 0.00000 0.00000 -0.00008
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 -0.00001 0.00000 0.00000 -0.00003
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00001
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 -0.00001 0.00000 0.00000 -0.00005
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001
68 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
69 9D-2 0.00000 0.00000 0.00001 -0.00002 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00001 0.00004 0.00000
71 2S 0.00000 0.00000 -0.00003 -0.00015 0.00000
72 3S 0.00000 0.00000 0.00002 0.00042 0.00000
73 4S 0.00000 0.00000 0.00001 0.00003 0.00000
74 5S 0.00000 0.00000 0.00009 0.00003 0.00000
75 6S 0.00000 0.00000 0.00004 -0.00012 0.00000
76 7PX 0.00000 0.00000 0.00040 -0.00010 0.00000
77 7PY 0.00000 0.00000 0.00007 -0.00035 0.00000
78 7PZ 0.00031 -0.00005 0.00000 0.00000 -0.00002
79 8PX 0.00000 0.00000 -0.00084 0.00013 0.00000
80 8PY 0.00000 0.00000 -0.00021 0.00084 0.00000
81 8PZ -0.00063 0.00008 0.00000 0.00000 -0.00051
82 9PX 0.00000 0.00000 -0.00039 0.00006 0.00000
83 9PY 0.00000 0.00000 -0.00010 0.00038 0.00000
84 9PZ -0.00029 0.00004 0.00000 0.00000 -0.00025
85 10PX 0.00000 0.00000 -0.00051 0.00011 0.00000
86 10PY 0.00000 0.00000 -0.00004 0.00024 0.00000
87 10PZ -0.00036 0.00010 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 -0.00003 0.00002 0.00000
89 11PY 0.00000 0.00000 0.00000 -0.00002 0.00000
90 11PZ -0.00002 0.00001 0.00000 0.00000 0.00005
91 12D 0 0.00000 0.00000 0.00002 -0.00006 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 -0.00002 0.00000 0.00000 -0.00013
94 12D+2 0.00000 0.00000 0.00003 -0.00010 0.00000
95 12D-2 0.00000 0.00000 0.00000 -0.00002 0.00000
96 13D 0 0.00000 0.00000 0.00002 -0.00007 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00001
98 13D-1 0.00000 -0.00002 0.00000 0.00000 -0.00014
99 13D+2 0.00000 0.00000 0.00003 -0.00011 0.00000
100 13D-2 0.00000 0.00000 0.00000 -0.00003 0.00000
101 14D 0 0.00000 0.00000 -0.00001 0.00001 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00001 0.00001 0.00000 0.00000 0.00005
104 14D+2 0.00000 0.00000 0.00000 0.00001 0.00000
105 14D-2 0.00000 0.00000 0.00001 -0.00001 0.00000
106 15F 0 0.00001 0.00001 0.00000 0.00000 0.00004
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00001 -0.00003 0.00000
109 15F+2 0.00001 0.00001 0.00000 0.00000 0.00005
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00001 0.00001 0.00000
112 15F-3 0.00000 0.00000 0.00001 -0.00003 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 -0.00001 0.00000
41 42 43 44 45
41 14F+1 0.00001
42 14F-1 0.00000 0.00002
43 14F+2 0.00000 0.00000 0.00005
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00001 0.00001 0.00000 0.00000 0.00005
46 14F-3 -0.00001 0.00003 0.00000 0.00000 0.00000
47 2 H 1S 0.00045 -0.00024 0.00000 0.00000 0.00059
48 2S 0.00073 -0.00037 0.00000 0.00000 0.00128
49 3S 0.00009 -0.00003 0.00000 0.00000 0.00033
50 4S -0.00001 0.00003 0.00000 0.00000 0.00002
51 5PX 0.00005 -0.00003 0.00000 0.00000 0.00005
52 5PY -0.00001 -0.00003 0.00000 0.00000 -0.00006
53 5PZ 0.00000 0.00000 -0.00007 0.00000 0.00000
54 6PX 0.00012 -0.00007 0.00000 0.00000 0.00021
55 6PY -0.00003 -0.00010 0.00000 0.00000 -0.00020
56 6PZ 0.00000 0.00000 -0.00020 0.00001 0.00000
57 7PX -0.00002 0.00001 0.00000 0.00000 0.00000
58 7PY 0.00001 -0.00005 0.00000 0.00000 -0.00005
59 7PZ 0.00000 0.00000 -0.00009 0.00000 0.00000
60 8D 0 -0.00001 0.00001 0.00000 0.00000 -0.00001
61 8D+1 0.00000 0.00000 -0.00003 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
63 8D+2 0.00002 -0.00002 0.00000 0.00000 0.00001
64 8D-2 -0.00001 -0.00001 0.00000 0.00000 -0.00003
65 9D 0 0.00000 0.00001 0.00000 0.00000 -0.00001
66 9D+1 0.00000 0.00000 -0.00006 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
68 9D+2 0.00000 -0.00002 0.00000 0.00000 -0.00002
69 9D-2 0.00000 -0.00003 0.00000 0.00000 -0.00005
70 3 Cl 1S 0.00001 0.00008 0.00000 0.00000 0.00008
71 2S -0.00005 -0.00033 0.00000 0.00000 -0.00030
72 3S 0.00012 0.00081 0.00000 0.00000 0.00051
73 4S 0.00002 0.00006 0.00000 0.00000 0.00001
74 5S 0.00022 0.00004 0.00000 0.00000 0.00014
75 6S 0.00009 -0.00026 0.00000 0.00000 -0.00009
76 7PX -0.00013 0.00007 0.00000 0.00000 0.00031
77 7PY 0.00007 -0.00036 0.00000 0.00000 -0.00068
78 7PZ 0.00000 0.00000 0.00011 -0.00020 0.00000
79 8PX -0.00028 -0.00010 0.00000 0.00000 -0.00100
80 8PY -0.00025 0.00149 0.00000 0.00000 0.00143
81 8PZ 0.00000 0.00000 -0.00065 0.00053 0.00000
82 9PX -0.00014 -0.00004 0.00000 0.00000 -0.00047
83 9PY -0.00013 0.00071 0.00000 0.00000 0.00061
84 9PZ 0.00000 0.00000 -0.00031 0.00025 0.00000
85 10PX -0.00010 -0.00008 0.00000 0.00000 -0.00041
86 10PY -0.00003 0.00041 0.00000 0.00000 0.00060
87 10PZ 0.00000 0.00000 -0.00004 0.00030 0.00000
88 11PX 0.00001 0.00000 0.00000 0.00000 0.00001
89 11PY 0.00001 -0.00004 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00006 0.00001 0.00000
91 12D 0 0.00001 -0.00010 0.00000 0.00000 -0.00008
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 -0.00015 0.00001 0.00000
94 12D+2 0.00003 -0.00017 0.00000 0.00000 -0.00012
95 12D-2 -0.00004 0.00000 0.00000 0.00000 -0.00010
96 13D 0 0.00001 -0.00011 0.00000 0.00000 -0.00012
97 13D+1 0.00000 0.00000 0.00001 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.00016 0.00001 0.00000
99 13D+2 0.00002 -0.00019 0.00000 0.00000 -0.00018
100 13D-2 -0.00004 0.00000 0.00000 0.00000 -0.00012
101 14D 0 -0.00001 0.00002 0.00000 0.00000 -0.00002
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00006 -0.00001 0.00000
104 14D+2 -0.00001 0.00003 0.00000 0.00000 -0.00001
105 14D-2 0.00001 -0.00002 0.00000 0.00000 0.00001
106 15F 0 0.00000 0.00000 0.00005 -0.00001 0.00000
107 15F+1 0.00001 0.00000 0.00000 0.00000 0.00001
108 15F-1 0.00001 -0.00005 0.00000 0.00000 -0.00004
109 15F+2 0.00000 0.00000 0.00006 -0.00001 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00002 0.00000 0.00000 0.00000 0.00005
112 15F-3 0.00001 -0.00006 0.00000 0.00000 -0.00004
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 -0.00002 0.00000 0.00000 -0.00003
116 16F+2 0.00000 0.00000 -0.00001 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00001 0.00000 0.00000 0.00001
119 16F-3 0.00000 -0.00002 0.00000 0.00000 -0.00002
46 47 48 49 50
46 14F-3 0.00006
47 2 H 1S -0.00048 0.03426
48 2S -0.00100 0.05462 0.09615
49 3S -0.00020 0.00871 0.02101 0.00948
50 4S 0.00004 -0.00053 -0.00063 0.00013 0.00005
51 5PX -0.00004 0.00381 0.00564 0.00062 -0.00007
52 5PY -0.00003 -0.00081 -0.00155 -0.00040 -0.00003
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX -0.00018 0.00876 0.01545 0.00324 -0.00012
55 6PY -0.00008 -0.00216 -0.00475 -0.00148 -0.00011
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00000 -0.00103 -0.00076 0.00068 0.00004
58 7PY -0.00005 0.00001 -0.00079 -0.00095 -0.00007
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00001 -0.00077 -0.00127 -0.00022 0.00001
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 -0.00003 0.00127 0.00205 0.00034 -0.00003
64 8D-2 -0.00001 -0.00046 -0.00089 -0.00025 -0.00002
65 9D 0 0.00001 -0.00017 -0.00032 0.00000 0.00001
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 -0.00002 0.00033 0.00044 0.00008 -0.00002
69 9D-2 -0.00004 -0.00035 -0.00089 -0.00042 -0.00004
70 3 Cl 1S 0.00018 -0.00049 -0.00045 -0.00024 0.00015
71 2S -0.00066 0.00169 0.00135 0.00084 -0.00058
72 3S 0.00107 -0.00397 -0.00317 -0.00086 0.00173
73 4S 0.00005 -0.00072 -0.00072 -0.00015 0.00019
74 5S -0.00005 0.00372 0.00874 0.00042 0.00053
75 6S -0.00041 0.00457 0.00787 0.00112 -0.00032
76 7PX -0.00030 -0.00441 -0.00602 -0.01158 -0.00045
77 7PY -0.00118 0.00401 0.00550 0.00089 -0.00075
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00074 0.01042 0.02322 0.03032 0.00091
80 8PY 0.00191 -0.00704 -0.00401 0.00624 0.00178
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00035 0.00493 0.01126 0.01436 0.00043
83 9PY 0.00088 -0.00425 -0.00369 0.00266 0.00083
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00033 0.01158 0.02463 0.02129 0.00052
86 10PY 0.00039 0.00046 0.00620 0.00473 0.00051
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00001 0.00144 0.00294 0.00158 0.00003
89 11PY -0.00007 0.00089 0.00177 0.00054 -0.00004
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 -0.00014 0.00034 0.00056 -0.00003 -0.00011
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 -0.00024 0.00086 0.00149 0.00002 -0.00019
95 12D-2 0.00004 -0.00251 -0.00491 -0.00127 0.00000
96 13D 0 -0.00015 -0.00015 -0.00049 -0.00032 -0.00013
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.00025 -0.00001 -0.00032 -0.00051 -0.00021
100 13D-2 0.00005 -0.00295 -0.00586 -0.00158 0.00000
101 14D 0 0.00004 -0.00058 -0.00122 -0.00016 0.00003
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00006 -0.00078 -0.00176 -0.00059 0.00004
105 14D-2 -0.00004 0.00052 0.00099 0.00010 -0.00003
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 -0.00001 0.00031 0.00059 0.00009 0.00000
108 15F-1 -0.00007 0.00005 0.00015 0.00000 -0.00005
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 -0.00003 0.00109 0.00208 0.00031 -0.00001
112 15F-3 -0.00009 0.00015 0.00036 0.00004 -0.00006
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 -0.00009 -0.00018 -0.00012 0.00000
115 16F-1 -0.00002 -0.00021 -0.00054 -0.00019 -0.00002
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00001 -0.00007 -0.00012 -0.00009 0.00000
119 16F-3 -0.00002 -0.00019 -0.00049 -0.00025 -0.00002
51 52 53 54 55
51 5PX 0.00044
52 5PY -0.00008 0.00009
53 5PZ 0.00000 0.00000 0.00012
54 6PX 0.00090 -0.00024 0.00000 0.00250
55 6PY -0.00020 0.00028 0.00000 -0.00074 0.00096
56 6PZ 0.00000 0.00000 0.00034 0.00000 0.00000
57 7PX -0.00016 0.00001 0.00000 -0.00014 -0.00002
58 7PY 0.00003 0.00009 0.00000 -0.00009 0.00034
59 7PZ 0.00000 0.00000 0.00016 0.00000 0.00000
60 8D 0 -0.00008 0.00002 0.00000 -0.00021 0.00005
61 8D+1 0.00000 0.00000 0.00006 0.00000 0.00000
62 8D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
63 8D+2 0.00014 -0.00001 0.00000 0.00033 -0.00003
64 8D-2 -0.00005 0.00004 0.00000 -0.00014 0.00014
65 9D 0 -0.00002 0.00000 0.00000 -0.00006 0.00001
66 9D+1 0.00000 0.00000 0.00009 0.00000 0.00000
67 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
68 9D+2 0.00004 0.00002 0.00000 0.00007 0.00009
69 9D-2 -0.00003 0.00007 0.00000 -0.00013 0.00025
70 3 Cl 1S -0.00009 -0.00005 0.00000 -0.00011 -0.00037
71 2S 0.00032 0.00018 0.00000 0.00038 0.00118
72 3S -0.00074 -0.00027 0.00000 -0.00085 -0.00139
73 4S -0.00013 0.00006 0.00000 -0.00014 0.00015
74 5S 0.00013 0.00035 0.00000 0.00142 0.00080
75 6S 0.00045 0.00026 0.00000 0.00137 0.00085
76 7PX -0.00018 -0.00023 0.00000 -0.00007 -0.00120
77 7PY 0.00046 0.00131 0.00000 0.00094 0.00561
78 7PZ 0.00000 0.00000 0.00027 0.00000 0.00000
79 8PX 0.00068 0.00034 0.00000 0.00184 0.00160
80 8PY -0.00089 -0.00261 0.00000 -0.00122 -0.00884
81 8PZ 0.00000 0.00000 -0.00064 0.00000 0.00000
82 9PX 0.00033 0.00015 0.00000 0.00093 0.00070
83 9PY -0.00050 -0.00115 0.00000 -0.00088 -0.00379
84 9PZ 0.00000 0.00000 -0.00030 0.00000 0.00000
85 10PX 0.00090 -0.00001 0.00000 0.00282 0.00022
86 10PY -0.00013 -0.00093 0.00000 0.00088 -0.00327
87 10PZ 0.00000 0.00000 -0.00096 0.00000 0.00000
88 11PX 0.00013 -0.00005 0.00000 0.00041 -0.00015
89 11PY 0.00008 0.00002 0.00000 0.00029 0.00007
90 11PZ 0.00000 0.00000 -0.00015 0.00000 0.00000
91 12D 0 0.00002 0.00016 0.00000 0.00013 0.00051
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00025 0.00000 0.00000
94 12D+2 0.00006 0.00026 0.00000 0.00031 0.00083
95 12D-2 -0.00024 0.00011 0.00000 -0.00079 0.00038
96 13D 0 -0.00002 0.00021 0.00000 -0.00004 0.00070
97 13D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00028 0.00000 0.00000
99 13D+2 -0.00002 0.00034 0.00000 0.00002 0.00111
100 13D-2 -0.00028 0.00014 0.00000 -0.00094 0.00048
101 14D 0 -0.00005 0.00001 0.00000 -0.00022 0.00005
102 14D+1 0.00000 0.00000 0.00001 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00007 0.00000 0.00000
104 14D+2 -0.00006 0.00000 0.00000 -0.00030 0.00001
105 14D-2 0.00005 0.00000 0.00000 0.00018 -0.00001
106 15F 0 0.00000 0.00000 -0.00007 0.00000 0.00000
107 15F+1 0.00003 -0.00001 0.00000 0.00010 -0.00005
108 15F-1 0.00000 0.00007 0.00000 0.00004 0.00023
109 15F+2 0.00000 0.00000 -0.00009 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00011 -0.00005 0.00000 0.00035 -0.00017
112 15F-3 0.00000 0.00009 0.00000 0.00008 0.00028
113 16F 0 0.00000 0.00000 0.00001 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00002 0.00000
115 16F-1 -0.00002 0.00004 0.00000 -0.00008 0.00015
116 16F+2 0.00000 0.00000 0.00002 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00001 -0.00001 0.00000 -0.00002 -0.00003
119 16F-3 -0.00001 0.00004 0.00000 -0.00007 0.00013
56 57 58 59 60
56 6PZ 0.00098
57 7PX 0.00000 0.00016
58 7PY 0.00000 -0.00012 0.00023
59 7PZ 0.00047 0.00000 0.00000 0.00023
60 8D 0 0.00000 0.00002 0.00000 0.00000 0.00002
61 8D+1 0.00017 0.00000 0.00000 0.00008 0.00000
62 8D-1 -0.00003 0.00000 0.00000 -0.00002 0.00000
63 8D+2 0.00000 -0.00003 0.00002 0.00000 -0.00003
64 8D-2 0.00000 0.00000 0.00005 0.00000 0.00001
65 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
66 9D+1 0.00026 0.00000 0.00000 0.00012 0.00000
67 9D-1 -0.00004 0.00000 0.00000 -0.00001 0.00000
68 9D+2 0.00000 -0.00001 0.00003 0.00000 -0.00001
69 9D-2 0.00000 -0.00002 0.00011 0.00000 0.00001
70 3 Cl 1S 0.00000 -0.00015 0.00014 0.00000 0.00000
71 2S 0.00000 0.00052 -0.00062 0.00000 -0.00002
72 3S 0.00000 -0.00074 0.00163 0.00000 0.00006
73 4S 0.00000 -0.00006 0.00033 0.00000 0.00001
74 5S 0.00000 -0.00066 0.00208 0.00000 -0.00013
75 6S 0.00000 -0.00010 0.00053 0.00000 -0.00012
76 7PX 0.00000 -0.00141 0.00100 0.00000 -0.00001
77 7PY 0.00000 0.00041 0.00237 0.00000 -0.00010
78 7PZ 0.00015 0.00000 0.00000 0.00064 0.00000
79 8PX 0.00000 0.00362 -0.00384 0.00000 -0.00012
80 8PY 0.00000 0.00098 -0.00459 0.00000 0.00020
81 8PZ -0.00112 0.00000 0.00000 -0.00182 0.00000
82 9PX 0.00000 0.00171 -0.00185 0.00000 -0.00006
83 9PY 0.00000 0.00052 -0.00207 0.00000 0.00012
84 9PZ -0.00054 0.00000 0.00000 -0.00086 0.00000
85 10PX 0.00000 0.00223 -0.00255 0.00000 -0.00020
86 10PY 0.00000 0.00051 -0.00163 0.00000 -0.00002
87 10PZ -0.00234 0.00000 0.00000 -0.00189 0.00000
88 11PX 0.00000 0.00012 -0.00018 0.00000 -0.00003
89 11PY 0.00000 0.00002 0.00002 0.00000 -0.00002
90 11PZ -0.00042 0.00000 0.00000 -0.00024 0.00000
91 12D 0 0.00000 -0.00001 0.00024 0.00000 -0.00001
92 12D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00071 0.00000 0.00000 0.00034 0.00000
94 12D+2 0.00000 -0.00002 0.00041 0.00000 -0.00003
95 12D-2 0.00000 0.00000 0.00010 0.00000 0.00006
96 13D 0 0.00000 0.00000 0.00030 0.00000 0.00000
97 13D+1 -0.00002 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00080 0.00000 0.00000 0.00039 0.00000
99 13D+2 0.00000 -0.00002 0.00051 0.00000 -0.00001
100 13D-2 0.00000 -0.00001 0.00013 0.00000 0.00007
101 14D 0 0.00000 0.00002 -0.00002 0.00000 0.00002
102 14D+1 0.00001 0.00000 0.00000 0.00001 0.00000
103 14D-1 -0.00022 0.00000 0.00000 -0.00008 0.00000
104 14D+2 0.00000 -0.00004 0.00002 0.00000 0.00002
105 14D-2 0.00000 -0.00002 0.00003 0.00000 -0.00001
106 15F 0 -0.00020 0.00000 0.00000 -0.00009 0.00000
107 15F+1 0.00000 -0.00001 0.00000 0.00000 -0.00001
108 15F-1 0.00000 0.00001 0.00010 0.00000 0.00000
109 15F+2 -0.00026 0.00000 0.00000 -0.00011 0.00000
110 15F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 -0.00003 -0.00001 0.00000 -0.00003
112 15F-3 0.00000 0.00001 0.00013 0.00000 -0.00001
113 16F 0 0.00004 0.00000 0.00000 0.00002 0.00000
114 16F+1 0.00000 -0.00001 0.00001 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00005 0.00000 0.00001
116 16F+2 0.00005 0.00000 0.00000 0.00003 0.00000
117 16F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 -0.00001 0.00000 0.00000 0.00000
119 16F-3 0.00000 -0.00002 0.00006 0.00000 0.00000
61 62 63 64 65
61 8D+1 0.00003
62 8D-1 -0.00001 0.00000
63 8D+2 0.00000 0.00000 0.00005
64 8D-2 0.00000 0.00000 -0.00001 0.00002
65 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00001
66 9D+1 0.00004 -0.00001 0.00000 0.00000 0.00000
67 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00002 0.00001 0.00000
69 9D-2 0.00000 0.00000 0.00000 0.00004 0.00000
70 3 Cl 1S 0.00000 0.00000 -0.00007 -0.00005 0.00000
71 2S 0.00000 0.00000 0.00024 0.00017 -0.00004
72 3S 0.00000 0.00000 -0.00044 -0.00022 0.00022
73 4S 0.00000 0.00000 -0.00004 0.00002 0.00003
74 5S 0.00000 0.00000 0.00015 0.00011 0.00000
75 6S 0.00000 0.00000 0.00028 0.00012 -0.00007
76 7PX 0.00000 0.00000 -0.00021 0.00010 -0.00009
77 7PY 0.00000 0.00000 0.00054 0.00076 0.00013
78 7PZ 0.00004 0.00007 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00052 -0.00015 0.00096
80 8PY 0.00000 0.00000 -0.00092 -0.00128 0.00023
81 8PZ -0.00019 -0.00014 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00025 -0.00007 0.00047
83 9PY 0.00000 0.00000 -0.00045 -0.00055 0.00013
84 9PZ -0.00009 -0.00006 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00051 -0.00021 0.00054
86 10PY 0.00000 0.00000 -0.00016 -0.00046 0.00001
87 10PZ -0.00039 -0.00002 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00005 -0.00004 0.00002
89 11PY 0.00000 0.00000 0.00005 0.00001 -0.00001
90 11PZ -0.00007 0.00001 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00006 0.00008 -0.00002
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00012 -0.00002 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00011 0.00012 -0.00003
95 12D-2 0.00000 0.00000 -0.00009 0.00006 0.00002
96 13D 0 0.00000 0.00000 0.00005 0.00010 -0.00001
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00013 -0.00003 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00009 0.00017 -0.00003
100 13D-2 0.00000 0.00000 -0.00010 0.00008 0.00002
101 14D 0 0.00000 0.00000 -0.00003 0.00000 0.00002
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.00004 0.00001 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 -0.00004 0.00000 0.00001
105 14D-2 0.00000 0.00000 0.00003 0.00000 -0.00001
106 15F 0 -0.00003 0.00001 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00001 -0.00001 0.00000
108 15F-1 0.00000 0.00000 0.00002 0.00004 -0.00001
109 15F+2 -0.00004 0.00001 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00004 -0.00002 -0.00002
112 15F-3 0.00000 0.00000 0.00003 0.00004 -0.00001
113 16F 0 0.00001 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00002 0.00000
116 16F+2 0.00001 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00002 0.00000
66 67 68 69 70
66 9D+1 0.00007
67 9D-1 -0.00001 0.00000
68 9D+2 0.00000 0.00000 0.00002
69 9D-2 0.00000 0.00000 0.00002 0.00007
70 3 Cl 1S 0.00000 0.00000 0.00003 -0.00016 1.08528
71 2S 0.00000 0.00000 -0.00014 0.00053 -0.29968
72 3S 0.00000 0.00000 0.00039 -0.00087 0.05433
73 4S 0.00000 0.00000 0.00009 -0.00001 -0.01639
74 5S 0.00000 0.00000 0.00060 0.00006 0.03310
75 6S 0.00000 0.00000 0.00021 0.00031 0.00060
76 7PX 0.00000 0.00000 -0.00054 0.00042 -0.00020
77 7PY 0.00000 0.00000 0.00050 0.00168 0.00303
78 7PZ -0.00014 0.00051 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00129 -0.00078 0.00039
80 8PY 0.00000 0.00000 -0.00139 -0.00264 -0.00524
81 8PZ 0.00014 -0.00065 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00061 -0.00036 0.00026
83 9PY 0.00000 0.00000 -0.00065 -0.00115 -0.00335
84 9PZ 0.00006 -0.00029 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00079 -0.00062 -0.00011
86 10PY 0.00000 0.00000 -0.00046 -0.00090 -0.00244
87 10PZ -0.00036 -0.00032 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00004 -0.00007 0.00002
89 11PY 0.00000 0.00000 0.00003 0.00003 -0.00020
90 11PZ -0.00010 -0.00001 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00008 0.00015 0.00032
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00019 -0.00002 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00014 0.00026 0.00058
95 12D-2 0.00000 0.00000 0.00000 0.00008 -0.00001
96 13D 0 0.00000 0.00000 0.00010 0.00020 -0.00015
97 13D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00021 -0.00003 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00016 0.00033 -0.00007
100 13D-2 0.00000 0.00000 0.00000 0.00011 -0.00012
101 14D 0 0.00000 0.00000 0.00000 -0.00001 0.00020
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.00007 0.00002 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 -0.00001 -0.00001 0.00043
105 14D-2 0.00000 0.00000 0.00000 0.00001 -0.00019
106 15F 0 -0.00006 0.00001 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 -0.00001 0.00000
108 15F-1 0.00000 0.00000 0.00003 0.00007 -0.00002
109 15F+2 -0.00007 0.00001 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 -0.00001 -0.00003 0.00000
112 15F-3 0.00000 0.00000 0.00004 0.00009 -0.00001
113 16F 0 0.00001 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00003
115 16F-1 0.00000 0.00000 0.00002 0.00004 -0.00021
116 16F+2 0.00001 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 -0.00001 -0.00001 0.00006
119 16F-3 0.00000 0.00000 0.00001 0.00004 -0.00017
71 72 73 74 75
71 2S 1.05566
72 3S -0.19972 0.38092
73 4S 0.05419 0.04589 0.01210
74 5S -0.12254 0.24245 0.03056 0.16502
75 6S -0.00209 -0.00031 0.00031 0.00566 0.00332
76 7PX 0.00046 -0.00225 -0.00050 0.00051 0.00055
77 7PY -0.01225 0.02222 0.00661 0.01797 0.00670
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX -0.00080 0.00501 0.00096 -0.00314 -0.00067
80 8PY 0.02154 -0.04546 -0.00942 -0.06211 -0.01809
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX -0.00061 0.00255 0.00045 -0.00140 -0.00030
83 9PY 0.01269 -0.02173 -0.00407 -0.03009 -0.00858
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00081 0.00014 0.00014 -0.00289 0.00026
86 10PY 0.00974 -0.02254 -0.00400 -0.02314 -0.00470
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX -0.00003 0.00012 -0.00001 -0.00010 0.00003
89 11PY 0.00077 -0.00200 -0.00020 -0.00047 0.00048
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 -0.00128 0.00141 0.00036 0.00305 0.00118
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 -0.00229 0.00265 0.00065 0.00546 0.00207
95 12D-2 0.00005 -0.00011 0.00003 -0.00036 -0.00024
96 13D 0 0.00027 0.00119 0.00051 0.00317 0.00131
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.00021 0.00328 0.00101 0.00618 0.00222
100 13D-2 0.00043 -0.00067 -0.00001 -0.00068 -0.00024
101 14D 0 -0.00071 0.00155 0.00018 0.00054 -0.00024
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 -0.00160 0.00355 0.00041 0.00164 -0.00036
105 14D-2 0.00069 -0.00148 -0.00016 -0.00053 0.00023
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 -0.00004 -0.00001 0.00004 0.00004
108 15F-1 0.00001 -0.00004 0.00011 0.00096 0.00054
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 -0.00006 -0.00003 0.00020 0.00015
112 15F-3 -0.00006 0.00004 0.00014 0.00130 0.00069
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 -0.00010 0.00023 0.00003 0.00014 -0.00002
115 16F-1 0.00075 -0.00107 -0.00007 -0.00039 0.00016
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00022 0.00043 0.00004 0.00020 -0.00005
119 16F-3 0.00056 -0.00048 0.00001 -0.00001 0.00015
76 77 78 79 80
76 7PX 1.01710
77 7PY 0.00067 0.97588
78 7PZ 0.00000 0.00000 1.01761
79 8PX -0.15441 -0.00131 0.00000 0.32033
80 8PY -0.00117 -0.07640 0.00000 0.00219 0.13181
81 8PZ 0.00000 0.00000 -0.15540 0.00000 0.00000
82 9PX -0.01392 -0.00079 0.00000 0.14912 0.00112
83 9PY -0.00084 0.03124 0.00000 0.00183 0.05927
84 9PZ 0.00000 0.00000 -0.01461 0.00000 0.00000
85 10PX -0.08912 -0.00124 0.00000 0.19485 0.00364
86 10PY 0.00037 -0.02505 0.00000 -0.00226 0.04217
87 10PZ 0.00000 0.00000 -0.08897 0.00000 0.00000
88 11PX -0.00527 -0.00061 0.00000 0.01050 0.00105
89 11PY -0.00059 0.00045 0.00000 0.00144 -0.00194
90 11PZ 0.00000 0.00000 -0.00602 0.00000 0.00000
91 12D 0 -0.00012 0.00318 0.00000 0.00035 -0.00778
92 12D+1 0.00000 0.00000 0.00016 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00162 0.00000 0.00000
94 12D+2 0.00002 0.00549 0.00000 -0.00013 -0.01336
95 12D-2 0.00098 0.00049 0.00000 0.00001 -0.00129
96 13D 0 -0.00049 0.00664 0.00000 0.00091 -0.00946
97 13D+1 0.00000 0.00000 0.00051 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.00022 0.00000 0.00000
99 13D+2 0.00012 0.01117 0.00000 0.00007 -0.01579
100 13D-2 -0.00137 0.00087 0.00000 -0.00035 -0.00181
101 14D 0 -0.00103 0.00048 0.00000 0.00265 0.00044
102 14D+1 0.00000 0.00000 0.00095 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00234 0.00000 0.00000
104 14D+2 0.00038 0.00103 0.00000 -0.00038 0.00071
105 14D-2 0.00070 0.00068 0.00000 -0.00180 -0.00069
106 15F 0 0.00000 0.00000 0.00056 0.00000 0.00000
107 15F+1 0.00025 -0.00005 0.00000 -0.00072 0.00012
108 15F-1 0.00000 0.00154 0.00000 -0.00001 -0.00345
109 15F+2 0.00000 0.00000 0.00070 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00003 0.00000 0.00000
111 15F+3 0.00091 -0.00011 0.00000 -0.00270 0.00037
112 15F-3 0.00000 0.00186 0.00000 -0.00003 -0.00435
113 16F 0 0.00000 0.00000 0.00097 0.00000 0.00000
114 16F+1 0.00064 -0.00001 0.00000 -0.00095 0.00003
115 16F-1 -0.00022 0.00164 0.00000 0.00044 -0.00138
116 16F+2 0.00000 0.00000 0.00077 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00037 0.00000 0.00000
118 16F+3 0.00128 -0.00022 0.00000 -0.00087 0.00026
119 16F-3 0.00042 0.00200 0.00000 -0.00072 -0.00136
81 82 83 84 85
81 8PZ 0.32409
82 9PX 0.00000 0.07298
83 9PY 0.00000 0.00089 0.03133
84 9PZ 0.15069 0.00000 0.00000 0.07359
85 10PX 0.00000 0.09102 0.00195 0.00000 0.11992
86 10PY 0.00000 -0.00104 0.01869 0.00000 0.00062
87 10PZ 0.19553 0.00000 0.00000 0.09120 0.00000
88 11PX 0.00000 0.00488 0.00045 0.00000 0.00667
89 11PY 0.00000 0.00068 -0.00095 0.00000 0.00107
90 11PZ 0.01194 0.00000 0.00000 0.00553 0.00000
91 12D 0 0.00000 0.00016 -0.00360 0.00000 0.00018
92 12D+1 -0.00043 0.00000 0.00000 -0.00020 0.00000
93 12D-1 -0.00166 0.00000 0.00000 -0.00072 0.00000
94 12D+2 0.00000 -0.00007 -0.00621 0.00000 -0.00008
95 12D-2 0.00000 0.00005 -0.00047 0.00000 -0.00062
96 13D 0 0.00000 0.00041 -0.00415 0.00000 0.00035
97 13D+1 -0.00101 0.00000 0.00000 -0.00047 0.00000
98 13D-1 -0.00215 0.00000 0.00000 -0.00107 0.00000
99 13D+2 0.00000 0.00003 -0.00694 0.00000 -0.00023
100 13D-2 0.00000 -0.00027 -0.00067 0.00000 -0.00097
101 14D 0 0.00000 0.00125 0.00029 0.00000 0.00142
102 14D+1 -0.00218 0.00000 0.00000 -0.00102 0.00000
103 14D-1 -0.00543 0.00000 0.00000 -0.00254 0.00000
104 14D+2 0.00000 -0.00017 0.00046 0.00000 -0.00049
105 14D-2 0.00000 -0.00085 -0.00032 0.00000 -0.00096
106 15F 0 -0.00162 0.00000 0.00000 -0.00077 0.00000
107 15F+1 0.00000 -0.00034 0.00004 0.00000 -0.00036
108 15F-1 0.00000 -0.00001 -0.00159 0.00000 -0.00002
109 15F+2 -0.00206 0.00000 0.00000 -0.00098 0.00000
110 15F-2 -0.00004 0.00000 0.00000 -0.00002 0.00000
111 15F+3 0.00000 -0.00128 0.00011 0.00000 -0.00136
112 15F-3 0.00000 -0.00002 -0.00201 0.00000 -0.00001
113 16F 0 -0.00117 0.00000 0.00000 -0.00052 0.00000
114 16F+1 0.00000 -0.00043 0.00001 0.00000 -0.00059
115 16F-1 0.00000 0.00020 -0.00054 0.00000 0.00017
116 16F+2 -0.00037 0.00000 0.00000 -0.00013 0.00000
117 16F-2 -0.00084 0.00000 0.00000 -0.00039 0.00000
118 16F+3 0.00000 -0.00035 0.00011 0.00000 -0.00053
119 16F-3 0.00000 -0.00034 -0.00051 0.00000 -0.00052
86 87 88 89 90
86 10PY 0.01523
87 10PZ 0.00000 0.12082
88 11PX 0.00047 0.00000 0.00041
89 11PY -0.00034 0.00000 0.00007 0.00010
90 11PZ 0.00000 0.00784 0.00000 0.00000 0.00058
91 12D 0 -0.00229 0.00000 -0.00003 0.00015 0.00000
92 12D+1 0.00000 -0.00024 0.00000 0.00000 -0.00001
93 12D-1 0.00000 -0.00219 0.00000 0.00000 -0.00033
94 12D+2 -0.00387 0.00000 -0.00006 0.00026 0.00000
95 12D-2 -0.00093 0.00000 -0.00013 -0.00007 0.00000
96 13D 0 -0.00294 0.00000 -0.00006 0.00016 0.00000
97 13D+1 0.00000 -0.00058 0.00000 0.00000 -0.00003
98 13D-1 0.00000 -0.00264 0.00000 0.00000 -0.00038
99 13D+2 -0.00485 0.00000 -0.00012 0.00026 0.00000
100 13D-2 -0.00118 0.00000 -0.00017 -0.00008 0.00000
101 14D 0 -0.00013 0.00000 0.00005 -0.00004 0.00000
102 14D+1 0.00000 -0.00132 0.00000 0.00000 -0.00008
103 14D-1 0.00000 -0.00288 0.00000 0.00000 -0.00011
104 14D+2 -0.00015 0.00000 -0.00005 -0.00009 0.00000
105 14D-2 -0.00003 0.00000 -0.00004 0.00004 0.00000
106 15F 0 0.00000 -0.00063 0.00000 0.00000 0.00002
107 15F+1 0.00011 0.00000 -0.00001 0.00001 0.00000
108 15F-1 -0.00098 0.00000 -0.00002 0.00007 0.00000
109 15F+2 0.00000 -0.00079 0.00000 0.00000 0.00003
110 15F-2 0.00000 -0.00001 0.00000 0.00000 0.00000
111 15F+3 0.00038 0.00000 -0.00003 0.00003 0.00000
112 15F-3 -0.00122 0.00000 -0.00002 0.00009 0.00000
113 16F 0 0.00000 -0.00076 0.00000 0.00000 -0.00006
114 16F+1 0.00000 0.00000 -0.00003 -0.00001 0.00000
115 16F-1 -0.00049 0.00000 -0.00001 0.00002 0.00000
116 16F+2 0.00000 -0.00031 0.00000 0.00000 -0.00003
117 16F-2 0.00000 -0.00049 0.00000 0.00000 -0.00003
118 16F+3 0.00007 0.00000 -0.00003 -0.00001 0.00000
119 16F-3 -0.00047 0.00000 -0.00005 0.00001 0.00000
91 92 93 94 95
91 12D 0 0.00049
92 12D+1 0.00000 0.00000
93 12D-1 0.00000 -0.00001 0.00052
94 12D+2 0.00085 0.00000 0.00000 0.00146
95 12D-2 0.00004 0.00000 0.00000 0.00004 0.00029
96 13D 0 0.00058 0.00000 0.00000 0.00099 0.00013
97 13D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
98 13D-1 0.00000 -0.00001 0.00058 0.00000 0.00000
99 13D+2 0.00097 0.00000 0.00000 0.00166 0.00017
100 13D-2 0.00007 0.00000 0.00000 0.00008 0.00035
101 14D 0 -0.00005 0.00000 0.00000 -0.00010 0.00008
102 14D+1 0.00000 0.00000 0.00001 0.00000 0.00000
103 14D-1 0.00000 0.00001 -0.00014 0.00000 0.00000
104 14D+2 -0.00009 0.00000 0.00000 -0.00016 0.00010
105 14D-2 0.00006 0.00000 0.00000 0.00011 -0.00006
106 15F 0 0.00000 0.00000 -0.00014 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 -0.00004
108 15F-1 0.00022 0.00000 0.00000 0.00039 0.00002
109 15F+2 0.00000 0.00001 -0.00018 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 15F+3 -0.00001 0.00000 0.00000 0.00000 -0.00013
112 15F-3 0.00028 0.00000 0.00000 0.00049 0.00002
113 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00001 0.00001
115 16F-1 0.00008 0.00000 0.00000 0.00013 0.00005
116 16F+2 0.00000 0.00000 0.00004 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 -0.00003 0.00000
119 16F-3 0.00008 0.00000 0.00000 0.00013 0.00004
96 97 98 99 100
96 13D 0 0.00072
97 13D+1 0.00000 0.00000
98 13D-1 0.00000 -0.00001 0.00065
99 13D+2 0.00119 0.00000 0.00000 0.00198
100 13D-2 0.00017 0.00000 0.00000 0.00024 0.00043
101 14D 0 -0.00003 0.00000 0.00000 -0.00007 0.00009
102 14D+1 0.00000 0.00001 0.00002 0.00000 0.00000
103 14D-1 0.00000 0.00002 -0.00015 0.00000 0.00000
104 14D+2 -0.00008 0.00000 0.00000 -0.00013 0.00011
105 14D-2 0.00005 0.00000 0.00000 0.00010 -0.00006
106 15F 0 0.00000 0.00001 -0.00015 0.00000 0.00000
107 15F+1 -0.00001 0.00000 0.00000 -0.00002 -0.00004
108 15F-1 0.00027 0.00000 0.00000 0.00044 0.00003
109 15F+2 0.00000 0.00001 -0.00020 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 15F+3 -0.00005 0.00000 0.00000 -0.00005 -0.00016
112 15F-3 0.00033 0.00000 0.00000 0.00056 0.00003
113 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00001 0.00001
115 16F-1 0.00011 0.00000 0.00000 0.00018 0.00007
116 16F+2 0.00000 0.00000 0.00004 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00003 0.00000 0.00000 -0.00004 0.00000
119 16F-3 0.00010 0.00000 0.00000 0.00017 0.00006
101 102 103 104 105
101 14D 0 0.00006
102 14D+1 0.00000 0.00001
103 14D-1 0.00000 0.00004 0.00015
104 14D+2 0.00006 0.00000 0.00000 0.00010
105 14D-2 -0.00005 0.00000 0.00000 -0.00005 0.00004
106 15F 0 0.00000 0.00001 0.00008 0.00000 0.00000
107 15F+1 -0.00002 0.00000 0.00000 -0.00001 0.00001
108 15F-1 -0.00003 0.00000 0.00000 -0.00005 0.00003
109 15F+2 0.00000 0.00001 0.00010 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 -0.00006 0.00000 0.00000 -0.00004 0.00004
112 15F-3 -0.00004 0.00000 0.00000 -0.00007 0.00004
113 16F 0 0.00000 0.00001 0.00001 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00001 0.00000
115 16F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
116 16F+2 0.00000 0.00000 -0.00001 0.00000 0.00000
117 16F-2 0.00000 0.00001 0.00002 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00001 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00001
106 107 108 109 110
106 15F 0 0.00005
107 15F+1 0.00000 0.00001
108 15F-1 0.00000 0.00000 0.00010
109 15F+2 0.00007 0.00000 0.00000 0.00008
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00002 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00013 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 -0.00001 0.00004 0.00000 0.00000
116 16F+2 -0.00001 0.00000 0.00000 -0.00001 0.00000
117 16F-2 0.00001 0.00000 0.00000 0.00001 0.00000
118 16F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00004 0.00000 0.00000
111 112 113 114 115
111 15F+3 0.00008
112 15F-3 0.00000 0.00017
113 16F 0 0.00000 0.00000 0.00001
114 16F+1 0.00001 0.00000 0.00000 0.00000
115 16F-1 -0.00003 0.00005 0.00000 0.00000 0.00003
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00001 -0.00001 0.00000 0.00000 -0.00001
119 16F-3 -0.00001 0.00004 0.00000 0.00000 0.00002
116 117 118 119
116 16F+2 0.00000
117 16F-2 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00002
Beta Density Matrix:
1 2 3 4 5
1 1 O 1S 1.00034
2 2S -0.12277 0.28204
3 3S 0.01067 0.07808 0.02377
4 4S -0.08393 0.21570 0.06097 0.20445
5 5S -0.01189 0.03232 0.00928 0.03761 0.00951
6 6PX -0.01121 0.02842 0.00883 0.08166 0.02310
7 6PY -0.00980 0.02327 0.00799 0.02789 0.00585
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX -0.00899 0.03131 0.00999 0.09685 0.02774
10 7PY -0.00813 0.02508 0.00910 0.03330 0.00732
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX -0.00750 0.02213 0.00679 0.05413 0.01538
13 8PY -0.00803 0.01878 0.00658 0.02354 0.00573
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX -0.00015 0.00038 0.00014 0.00321 0.00129
16 9PY -0.00056 0.00080 0.00030 0.00039 -0.00015
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00010 -0.00004 0.00003 0.00120 0.00039
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 -0.00019 0.00072 0.00023 -0.00087 -0.00043
22 10D-2 0.00030 -0.00082 -0.00025 -0.00059 0.00003
23 11D 0 0.00163 -0.00260 -0.00060 0.00001 0.00034
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 -0.00010 -0.00013 0.00008 -0.00242 -0.00092
27 11D-2 0.00163 -0.00382 -0.00114 -0.00497 -0.00072
28 12D 0 -0.00019 -0.00020 -0.00004 -0.00101 -0.00028
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 -0.00088 0.00137 0.00052 0.00212 0.00063
32 12D-2 0.00129 -0.00352 -0.00103 -0.00500 -0.00097
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 -0.00011 0.00017 0.00004 -0.00042 -0.00016
35 13F-1 -0.00007 0.00008 0.00000 -0.00007 -0.00003
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 0.00018 -0.00041 -0.00011 -0.00023 0.00004
39 13F-3 -0.00029 0.00064 0.00016 0.00019 -0.00002
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 -0.00014 0.00018 0.00005 -0.00029 -0.00009
42 14F-1 -0.00016 0.00046 0.00010 0.00033 0.00007
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 0.00038 -0.00070 -0.00023 -0.00157 -0.00033
46 14F-3 -0.00077 0.00190 0.00050 0.00175 0.00029
47 2 H 1S -0.01162 0.02770 0.00741 -0.01145 -0.00785
48 2S 0.00061 -0.00151 -0.00111 -0.06001 -0.02028
49 3S 0.01010 -0.02636 -0.00765 -0.03384 -0.00934
50 4S 0.00036 -0.00067 -0.00022 -0.00047 -0.00008
51 5PX -0.00201 0.00537 0.00148 0.00078 -0.00049
52 5PY 0.00017 -0.00057 -0.00010 0.00091 0.00034
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX 0.00114 -0.00080 -0.00028 -0.00997 -0.00318
55 6PY -0.00047 0.00096 0.00046 0.00503 0.00135
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00229 -0.00517 -0.00144 -0.00354 -0.00072
58 7PY -0.00075 0.00212 0.00067 0.00263 0.00087
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00017 -0.00031 -0.00008 0.00052 0.00021
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 -0.00034 0.00059 0.00016 -0.00066 -0.00033
64 8D-2 0.00007 -0.00023 -0.00004 0.00057 0.00022
65 9D 0 -0.00029 0.00031 0.00008 0.00039 0.00003
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00036 0.00025 0.00011 0.00010 -0.00007
69 9D-2 -0.00022 0.00016 0.00009 0.00109 0.00036
70 3 Cl 1S 0.00062 -0.00179 -0.00067 -0.00436 -0.00012
71 2S -0.00259 0.00781 0.00277 0.01625 0.00010
72 3S 0.00556 -0.01617 -0.00583 -0.02755 0.00313
73 4S 0.00133 -0.00412 -0.00126 -0.00406 0.00050
74 5S 0.00903 -0.02584 -0.00760 -0.03166 0.00001
75 6S 0.00254 -0.00796 -0.00200 -0.00848 -0.00158
76 7PX -0.00078 0.00247 0.00079 0.00482 0.00977
77 7PY 0.00460 -0.01176 -0.00220 0.00554 0.00384
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00198 -0.00534 -0.00176 -0.01700 -0.02527
80 8PY -0.00666 0.01465 0.00207 -0.00202 -0.00417
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00096 -0.00273 -0.00090 -0.00842 -0.01197
83 9PY -0.00367 0.00751 0.00119 0.00166 -0.00128
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00321 -0.00939 -0.00292 -0.02173 -0.01827
86 10PY 0.00324 -0.01109 -0.00380 -0.01693 -0.00449
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00042 -0.00110 -0.00035 -0.00275 -0.00141
89 11PY 0.00076 -0.00213 -0.00057 -0.00233 -0.00061
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00148 -0.00347 -0.00084 -0.00201 -0.00016
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00262 -0.00620 -0.00152 -0.00398 -0.00036
95 12D-2 -0.00076 0.00216 0.00067 0.00489 0.00127
96 13D 0 0.00116 -0.00313 -0.00072 -0.00082 0.00014
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00211 -0.00571 -0.00135 -0.00213 0.00017
100 13D-2 -0.00094 0.00271 0.00085 0.00602 0.00156
101 14D 0 -0.00050 0.00164 0.00046 0.00188 0.00025
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 -0.00076 0.00278 0.00078 0.00292 0.00069
105 14D-2 0.00023 -0.00096 -0.00026 -0.00117 -0.00017
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00008 -0.00025 -0.00008 -0.00058 -0.00010
108 15F-1 0.00070 -0.00198 -0.00050 -0.00113 -0.00010
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00029 -0.00090 -0.00028 -0.00205 -0.00036
112 15F-3 0.00091 -0.00262 -0.00067 -0.00163 -0.00017
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00008 0.00002 0.00015 0.00010
115 16F-1 -0.00016 0.00026 0.00010 0.00081 0.00017
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00003 0.00014 0.00003 0.00011 0.00008
119 16F-3 -0.00011 0.00017 0.00008 0.00067 0.00023
6 7 8 9 10
6 6PX 0.09770
7 6PY 0.00693 0.06468
8 6PZ 0.00000 0.00000 0.13472
9 7PX 0.11843 0.00846 0.00000 0.14361
10 7PY 0.00984 0.08467 0.00000 0.01209 0.11098
11 7PZ 0.00000 0.00000 0.17142 0.00000 0.00000
12 8PX 0.06087 0.00458 0.00000 0.07374 0.00638
13 8PY 0.00694 0.05944 0.00000 0.00852 0.07786
14 8PZ 0.00000 0.00000 0.12873 0.00000 0.00000
15 9PX 0.00471 -0.00016 0.00000 0.00573 -0.00015
16 9PY -0.00094 0.00401 0.00000 -0.00114 0.00525
17 9PZ 0.00000 0.00000 0.01333 0.00000 0.00000
18 10D 0 0.00179 0.00081 0.00000 0.00218 0.00109
19 10D+1 0.00000 0.00000 -0.00182 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00077 0.00000 0.00000
21 10D+2 -0.00256 0.00170 0.00000 -0.00312 0.00219
22 10D-2 0.00011 -0.00100 0.00000 0.00015 -0.00129
23 11D 0 0.00227 0.00271 0.00000 0.00281 0.00366
24 11D+1 0.00000 0.00000 -0.00417 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.00472 0.00000 0.00000
26 11D+2 -0.00513 0.00673 0.00000 -0.00620 0.00879
27 11D-2 -0.00336 -0.00271 0.00000 -0.00404 -0.00354
28 12D 0 -0.00175 0.00171 0.00000 -0.00211 0.00224
29 12D+1 0.00000 0.00000 -0.00140 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.00625 0.00000 0.00000
31 12D+2 0.00073 0.00629 0.00000 0.00090 0.00825
32 12D-2 -0.00408 -0.00090 0.00000 -0.00491 -0.00117
33 13F 0 0.00000 0.00000 -0.00137 0.00000 0.00000
34 13F+1 -0.00087 0.00003 0.00000 -0.00106 0.00002
35 13F-1 -0.00001 -0.00097 0.00000 -0.00002 -0.00128
36 13F+2 0.00000 0.00000 -0.00007 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.00035 0.00000 0.00000
38 13F+3 0.00006 0.00010 0.00000 0.00008 0.00014
39 13F-3 -0.00029 -0.00056 0.00000 -0.00036 -0.00076
40 14F 0 0.00000 0.00000 -0.00209 0.00000 0.00000
41 14F+1 -0.00069 0.00019 0.00000 -0.00084 0.00024
42 14F-1 0.00025 -0.00110 0.00000 0.00029 -0.00145
43 14F+2 0.00000 0.00000 -0.00238 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00012 0.00000 0.00000
45 14F+3 -0.00153 -0.00112 0.00000 -0.00185 -0.00148
46 14F-3 0.00099 -0.00127 0.00000 0.00118 -0.00169
47 2 H 1S -0.05056 0.00935 0.00000 -0.06173 0.01103
48 2S -0.09483 0.00445 0.00000 -0.11521 0.00460
49 3S -0.02333 -0.00694 0.00000 -0.02810 -0.00889
50 4S 0.00037 -0.00154 0.00000 0.00045 -0.00200
51 5PX -0.00496 0.00140 0.00000 -0.00608 0.00166
52 5PY 0.00177 0.00178 0.00000 0.00216 0.00238
53 5PZ 0.00000 0.00000 0.00397 0.00000 0.00000
54 6PX -0.01528 0.00109 0.00000 -0.01855 0.00125
55 6PY 0.00581 0.00641 0.00000 0.00708 0.00848
56 6PZ 0.00000 0.00000 0.01148 0.00000 0.00000
57 7PX 0.00025 -0.00120 0.00000 0.00036 -0.00146
58 7PY 0.00133 0.00326 0.00000 0.00161 0.00426
59 7PZ 0.00000 0.00000 0.00553 0.00000 0.00000
60 8D 0 0.00121 -0.00020 0.00000 0.00147 -0.00024
61 8D+1 0.00000 0.00000 0.00194 0.00000 0.00000
62 8D-1 0.00000 0.00000 -0.00039 0.00000 0.00000
63 8D+2 -0.00186 0.00079 0.00000 -0.00227 0.00101
64 8D-2 0.00100 0.00089 0.00000 0.00122 0.00118
65 9D 0 0.00035 -0.00016 0.00000 0.00042 -0.00021
66 9D+1 0.00000 0.00000 0.00309 0.00000 0.00000
67 9D-1 0.00000 0.00000 -0.00041 0.00000 0.00000
68 9D+2 -0.00024 0.00097 0.00000 -0.00029 0.00127
69 9D-2 0.00117 0.00196 0.00000 0.00142 0.00259
70 3 Cl 1S -0.00010 -0.00203 0.00000 -0.00005 -0.00256
71 2S 0.00057 0.00652 0.00000 0.00045 0.00824
72 3S -0.00033 -0.01358 0.00000 -0.00011 -0.01820
73 4S 0.00049 0.00070 0.00000 0.00065 0.00088
74 5S -0.00928 0.01320 0.00000 -0.01079 0.01735
75 6S -0.00679 0.01201 0.00000 -0.00810 0.01587
76 7PX 0.00599 0.00081 0.00000 0.00753 0.00106
77 7PY 0.00163 0.04206 0.00000 0.00191 0.05473
78 7PZ 0.00000 0.00000 0.00805 0.00000 0.00000
79 8PX -0.01475 -0.00195 0.00000 -0.01812 -0.00256
80 8PY -0.00726 -0.08586 0.00000 -0.00944 -0.11322
81 8PZ 0.00000 0.00000 -0.02050 0.00000 0.00000
82 9PX -0.00711 -0.00104 0.00000 -0.00872 -0.00136
83 9PY -0.00118 -0.03894 0.00000 -0.00176 -0.05139
84 9PZ 0.00000 0.00000 -0.00958 0.00000 0.00000
85 10PX -0.02023 -0.00302 0.00000 -0.02464 -0.00399
86 10PY -0.01132 -0.02821 0.00000 -0.01377 -0.03698
87 10PZ 0.00000 0.00000 -0.03180 0.00000 0.00000
88 11PX -0.00285 -0.00082 0.00000 -0.00346 -0.00109
89 11PY -0.00170 0.00139 0.00000 -0.00203 0.00185
90 11PZ 0.00000 0.00000 -0.00514 0.00000 0.00000
91 12D 0 -0.00012 0.00494 0.00000 -0.00008 0.00656
92 12D+1 0.00000 0.00000 -0.00013 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00832 0.00000 0.00000
94 12D+2 -0.00078 0.00844 0.00000 -0.00083 0.01121
95 12D-2 0.00525 0.00109 0.00000 0.00636 0.00147
96 13D 0 0.00116 0.00614 0.00000 0.00147 0.00816
97 13D+1 0.00000 0.00000 -0.00018 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00936 0.00000 0.00000
99 13D+2 0.00132 0.01006 0.00000 0.00172 0.01335
100 13D-2 0.00630 0.00157 0.00000 0.00763 0.00209
101 14D 0 0.00139 -0.00033 0.00000 0.00166 -0.00045
102 14D+1 0.00000 0.00000 0.00017 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00240 0.00000 0.00000
104 14D+2 0.00189 -0.00063 0.00000 0.00227 -0.00087
105 14D-2 -0.00104 0.00056 0.00000 -0.00125 0.00074
106 15F 0 0.00000 0.00000 -0.00228 0.00000 0.00000
107 15F+1 -0.00064 -0.00010 0.00000 -0.00078 -0.00013
108 15F-1 0.00001 0.00221 0.00000 0.00004 0.00295
109 15F+2 0.00000 0.00000 -0.00296 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.00008 0.00000 0.00000
111 15F+3 -0.00228 -0.00033 0.00000 -0.00276 -0.00045
112 15F-3 -0.00018 0.00277 0.00000 -0.00017 0.00369
113 16F 0 0.00000 0.00000 0.00046 0.00000 0.00000
114 16F+1 0.00015 -0.00004 0.00000 0.00019 -0.00006
115 16F-1 0.00074 0.00111 0.00000 0.00090 0.00146
116 16F+2 0.00000 0.00000 0.00064 0.00000 0.00000
117 16F-2 0.00000 0.00000 -0.00004 0.00000 0.00000
118 16F+3 0.00008 -0.00022 0.00000 0.00009 -0.00029
119 16F-3 0.00064 0.00101 0.00000 0.00078 0.00133
11 12 13 14 15
11 7PZ 0.21811
12 8PX 0.00000 0.03826
13 8PY 0.00000 0.00457 0.05545
14 8PZ 0.16376 0.00000 0.00000 0.12381
15 9PX 0.00000 0.00303 -0.00003 0.00000 0.00029
16 9PY 0.00000 -0.00064 0.00366 0.00000 -0.00011
17 9PZ 0.01694 0.00000 0.00000 0.01327 0.00000
18 10D 0 0.00000 0.00111 0.00074 0.00000 0.00008
19 10D+1 -0.00232 0.00000 0.00000 -0.00174 0.00000
20 10D-1 -0.00098 0.00000 0.00000 -0.00066 0.00000
21 10D+2 0.00000 -0.00158 0.00150 0.00000 -0.00014
22 10D-2 0.00000 0.00010 -0.00089 0.00000 0.00004
23 11D 0 0.00000 0.00138 0.00249 0.00000 0.00011
24 11D+1 -0.00530 0.00000 0.00000 -0.00400 0.00000
25 11D-1 -0.00602 0.00000 0.00000 -0.00423 0.00000
26 11D+2 0.00000 -0.00319 0.00603 0.00000 -0.00031
27 11D-2 0.00000 -0.00196 -0.00242 0.00000 -0.00006
28 12D 0 0.00000 -0.00106 0.00156 0.00000 -0.00009
29 12D+1 -0.00178 0.00000 0.00000 -0.00135 0.00000
30 12D-1 -0.00796 0.00000 0.00000 -0.00584 0.00000
31 12D+2 0.00000 0.00051 0.00585 0.00000 0.00001
32 12D-2 0.00000 -0.00248 -0.00084 0.00000 -0.00014
33 13F 0 -0.00174 0.00000 0.00000 -0.00129 0.00000
34 13F+1 0.00000 -0.00053 0.00002 0.00000 -0.00004
35 13F-1 0.00000 -0.00001 -0.00088 0.00000 0.00001
36 13F+2 -0.00009 0.00000 0.00000 -0.00004 0.00000
37 13F-2 -0.00044 0.00000 0.00000 -0.00033 0.00000
38 13F+3 0.00000 0.00005 0.00011 0.00000 0.00001
39 13F-3 0.00000 -0.00017 -0.00052 0.00000 -0.00001
40 14F 0 -0.00266 0.00000 0.00000 -0.00195 0.00000
41 14F+1 0.00000 -0.00042 0.00018 0.00000 -0.00003
42 14F-1 0.00000 0.00016 -0.00099 0.00000 0.00002
43 14F+2 -0.00303 0.00000 0.00000 -0.00222 0.00000
44 14F-2 0.00016 0.00000 0.00000 0.00009 0.00000
45 14F+3 0.00000 -0.00092 -0.00101 0.00000 -0.00005
46 14F-3 0.00000 0.00062 -0.00115 0.00000 0.00004
47 2 H 1S 0.00000 -0.03091 0.00786 0.00000 -0.00270
48 2S 0.00000 -0.05890 0.00313 0.00000 -0.00484
49 3S 0.00000 -0.01556 -0.00684 0.00000 -0.00137
50 4S 0.00000 0.00019 -0.00136 0.00000 0.00002
51 5PX 0.00000 -0.00298 0.00118 0.00000 -0.00027
52 5PY 0.00000 0.00106 0.00165 0.00000 0.00007
53 5PZ 0.00505 0.00000 0.00000 0.00379 0.00000
54 6PX 0.00000 -0.00945 0.00087 0.00000 -0.00076
55 6PY 0.00000 0.00353 0.00589 0.00000 0.00021
56 6PZ 0.01460 0.00000 0.00000 0.01094 0.00000
57 7PX 0.00000 -0.00002 -0.00116 0.00000 -0.00001
58 7PY 0.00000 0.00094 0.00314 0.00000 0.00009
59 7PZ 0.00703 0.00000 0.00000 0.00533 0.00000
60 8D 0 0.00000 0.00074 -0.00017 0.00000 0.00006
61 8D+1 0.00247 0.00000 0.00000 0.00185 0.00000
62 8D-1 -0.00050 0.00000 0.00000 -0.00036 0.00000
63 8D+2 0.00000 -0.00115 0.00070 0.00000 -0.00010
64 8D-2 0.00000 0.00061 0.00082 0.00000 0.00004
65 9D 0 0.00000 0.00019 -0.00016 0.00000 0.00001
66 9D+1 0.00394 0.00000 0.00000 0.00292 0.00000
67 9D-1 -0.00052 0.00000 0.00000 -0.00035 0.00000
68 9D+2 0.00000 -0.00018 0.00090 0.00000 -0.00003
69 9D-2 0.00000 0.00074 0.00180 0.00000 0.00005
70 3 Cl 1S 0.00000 -0.00028 0.00113 0.00000 0.00008
71 2S 0.00000 0.00111 -0.00437 0.00000 -0.00032
72 3S 0.00000 -0.00170 0.00279 0.00000 0.00095
73 4S 0.00000 0.00007 0.00231 0.00000 0.00014
74 5S 0.00000 -0.00680 0.02239 0.00000 0.00016
75 6S 0.00000 -0.00431 0.01122 0.00000 -0.00037
76 7PX 0.00000 0.01199 0.00142 0.00000 0.00256
77 7PY 0.00000 0.00222 0.02968 0.00000 0.00046
78 7PZ 0.00996 0.00000 0.00000 0.01623 0.00000
79 8PX 0.00000 -0.01807 -0.00596 0.00000 -0.00472
80 8PY 0.00000 -0.00398 -0.08171 0.00000 0.00001
81 8PZ -0.02545 0.00000 0.00000 -0.03566 0.00000
82 9PX 0.00000 -0.00832 -0.00297 0.00000 -0.00219
83 9PY 0.00000 -0.00040 -0.03785 0.00000 0.00013
84 9PZ -0.01189 0.00000 0.00000 -0.01658 0.00000
85 10PX 0.00000 -0.01797 -0.00547 0.00000 -0.00339
86 10PY 0.00000 -0.00695 -0.02702 0.00000 -0.00036
87 10PZ -0.04008 0.00000 0.00000 -0.03992 0.00000
88 11PX 0.00000 -0.00206 -0.00090 0.00000 -0.00026
89 11PY 0.00000 -0.00111 0.00120 0.00000 -0.00011
90 11PZ -0.00652 0.00000 0.00000 -0.00547 0.00000
91 12D 0 0.00000 -0.00016 0.00468 0.00000 -0.00003
92 12D+1 -0.00017 0.00000 0.00000 -0.00010 0.00000
93 12D-1 0.01059 0.00000 0.00000 0.00797 0.00000
94 12D+2 0.00000 -0.00061 0.00802 0.00000 -0.00006
95 12D-2 0.00000 0.00326 0.00102 0.00000 0.00024
96 13D 0 0.00000 0.00062 0.00576 0.00000 0.00002
97 13D+1 -0.00022 0.00000 0.00000 -0.00012 0.00000
98 13D-1 0.01191 0.00000 0.00000 0.00898 0.00000
99 13D+2 0.00000 0.00069 0.00950 0.00000 0.00003
100 13D-2 0.00000 0.00391 0.00145 0.00000 0.00028
101 14D 0 0.00000 0.00080 -0.00029 0.00000 0.00003
102 14D+1 0.00022 0.00000 0.00000 0.00027 0.00000
103 14D-1 -0.00306 0.00000 0.00000 -0.00200 0.00000
104 14D+2 0.00000 0.00121 -0.00047 0.00000 0.00010
105 14D-2 0.00000 -0.00060 0.00048 0.00000 -0.00003
106 15F 0 -0.00291 0.00000 0.00000 -0.00208 0.00000
107 15F+1 0.00000 -0.00038 -0.00008 0.00000 -0.00002
108 15F-1 0.00000 -0.00003 0.00207 0.00000 -0.00001
109 15F+2 -0.00377 0.00000 0.00000 -0.00270 0.00000
110 15F-2 -0.00011 0.00000 0.00000 -0.00008 0.00000
111 15F+3 0.00000 -0.00134 -0.00028 0.00000 -0.00007
112 15F-3 0.00000 -0.00016 0.00260 0.00000 -0.00002
113 16F 0 0.00058 0.00000 0.00000 0.00049 0.00000
114 16F+1 0.00000 0.00012 -0.00002 0.00000 0.00002
115 16F-1 0.00000 0.00045 0.00097 0.00000 0.00002
116 16F+2 0.00082 0.00000 0.00000 0.00063 0.00000
117 16F-2 -0.00006 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00008 -0.00018 0.00000 0.00002
119 16F-3 0.00000 0.00042 0.00092 0.00000 0.00003
16 17 18 19 20
16 9PY 0.00029
17 9PZ 0.00000 0.00168
18 10D 0 0.00003 0.00000 0.00004
19 10D+1 0.00000 -0.00018 0.00000 0.00002
20 10D-1 0.00000 -0.00002 0.00000 0.00001 0.00001
21 10D+2 0.00015 0.00000 -0.00003 0.00000 0.00000
22 10D-2 -0.00008 0.00000 -0.00001 0.00000 0.00000
23 11D 0 0.00014 0.00000 0.00008 0.00000 0.00000
24 11D+1 0.00000 -0.00042 0.00000 0.00006 0.00002
25 11D-1 0.00000 -0.00028 0.00000 0.00006 0.00005
26 11D+2 0.00051 0.00000 -0.00001 0.00000 0.00000
27 11D-2 -0.00017 0.00000 -0.00008 0.00000 0.00000
28 12D 0 0.00013 0.00000 -0.00001 0.00000 0.00000
29 12D+1 0.00000 -0.00014 0.00000 0.00002 0.00001
30 12D-1 0.00000 -0.00053 0.00000 0.00008 0.00005
31 12D+2 0.00038 0.00000 0.00008 0.00000 0.00000
32 12D-2 -0.00003 0.00000 -0.00007 0.00000 0.00000
33 13F 0 0.00000 -0.00012 0.00000 0.00002 0.00001
34 13F+1 0.00001 0.00000 -0.00002 0.00000 0.00000
35 13F-1 -0.00006 0.00000 -0.00001 0.00000 0.00000
36 13F+2 0.00000 0.00001 0.00000 0.00000 0.00000
37 13F-2 0.00000 -0.00004 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.00003 0.00000 -0.00001 0.00000 0.00000
40 14F 0 0.00000 -0.00018 0.00000 0.00003 0.00002
41 14F+1 0.00002 0.00000 -0.00001 0.00000 0.00000
42 14F-1 -0.00008 0.00000 -0.00001 0.00000 0.00000
43 14F+2 0.00000 -0.00020 0.00000 0.00003 0.00002
44 14F-2 0.00000 -0.00001 0.00000 0.00000 0.00000
45 14F+3 -0.00006 0.00000 -0.00004 0.00000 0.00000
46 14F-3 -0.00009 0.00000 0.00000 0.00000 0.00000
47 2 H 1S 0.00129 0.00000 -0.00090 0.00000 0.00000
48 2S 0.00167 0.00000 -0.00168 0.00000 0.00000
49 3S 0.00011 0.00000 -0.00043 0.00000 0.00000
50 4S -0.00010 0.00000 -0.00001 0.00000 0.00000
51 5PX 0.00015 0.00000 -0.00009 0.00000 0.00000
52 5PY 0.00009 0.00000 0.00005 0.00000 0.00000
53 5PZ 0.00000 0.00039 0.00000 -0.00005 -0.00002
54 6PX 0.00028 0.00000 -0.00026 0.00000 0.00000
55 6PY 0.00034 0.00000 0.00018 0.00000 0.00000
56 6PZ 0.00000 0.00111 0.00000 -0.00016 -0.00007
57 7PX -0.00005 0.00000 0.00001 0.00000 0.00000
58 7PY 0.00016 0.00000 0.00005 0.00000 0.00000
59 7PZ 0.00000 0.00058 0.00000 -0.00007 -0.00003
60 8D 0 -0.00003 0.00000 0.00002 0.00000 0.00000
61 8D+1 0.00000 0.00019 0.00000 -0.00003 -0.00001
62 8D-1 0.00000 -0.00003 0.00000 0.00001 0.00000
63 8D+2 0.00008 0.00000 -0.00003 0.00000 0.00000
64 8D-2 0.00004 0.00000 0.00003 0.00000 0.00000
65 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00029 0.00000 -0.00004 -0.00002
67 9D-1 0.00000 -0.00002 0.00000 0.00001 0.00001
68 9D+2 0.00007 0.00000 0.00001 0.00000 0.00000
69 9D-2 0.00010 0.00000 0.00004 0.00000 0.00000
70 3 Cl 1S 0.00011 0.00000 -0.00009 0.00000 0.00000
71 2S -0.00029 0.00000 0.00032 0.00000 0.00000
72 3S -0.00104 0.00000 -0.00066 0.00000 0.00000
73 4S -0.00005 0.00000 -0.00004 0.00000 0.00000
74 5S 0.00083 0.00000 -0.00029 0.00000 0.00000
75 6S 0.00086 0.00000 0.00004 0.00000 0.00000
76 7PX -0.00066 0.00000 0.00013 0.00000 0.00000
77 7PY 0.00128 0.00000 0.00049 0.00000 0.00000
78 7PZ 0.00000 0.00589 0.00000 -0.00010 0.00068
79 8PX 0.00247 0.00000 -0.00035 0.00000 0.00000
80 8PY -0.00534 0.00000 -0.00108 0.00000 0.00000
81 8PZ 0.00000 -0.01272 0.00000 0.00026 -0.00144
82 9PX 0.00118 0.00000 -0.00017 0.00000 0.00000
83 9PY -0.00254 0.00000 -0.00046 0.00000 0.00000
84 9PZ 0.00000 -0.00592 0.00000 0.00012 -0.00067
85 10PX 0.00154 0.00000 -0.00041 0.00000 0.00000
86 10PY -0.00164 0.00000 -0.00046 0.00000 0.00000
87 10PZ 0.00000 -0.00950 0.00000 0.00042 -0.00074
88 11PX 0.00006 0.00000 -0.00006 0.00000 0.00000
89 11PY 0.00013 0.00000 -0.00001 0.00000 0.00000
90 11PZ 0.00000 -0.00088 0.00000 0.00007 -0.00002
91 12D 0 0.00032 0.00000 0.00006 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00084 0.00000 -0.00011 -0.00005
94 12D+2 0.00055 0.00000 0.00010 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00010 0.00000 0.00000
96 13D 0 0.00038 0.00000 0.00010 0.00000 0.00000
97 13D+1 0.00000 0.00002 0.00000 0.00000 0.00001
98 13D-1 0.00000 0.00095 0.00000 -0.00013 -0.00005
99 13D+2 0.00062 0.00000 0.00015 0.00000 0.00000
100 13D-2 0.00001 0.00000 0.00013 0.00000 0.00000
101 14D 0 -0.00002 0.00000 0.00001 0.00000 0.00000
102 14D+1 0.00000 0.00009 0.00000 0.00000 0.00001
103 14D-1 0.00000 -0.00004 0.00000 0.00003 0.00004
104 14D+2 -0.00007 0.00000 0.00001 0.00000 0.00000
105 14D-2 0.00004 0.00000 -0.00001 0.00000 0.00000
106 15F 0 0.00000 -0.00016 0.00000 0.00003 0.00002
107 15F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
108 15F-1 0.00014 0.00000 0.00003 0.00000 0.00000
109 15F+2 0.00000 -0.00021 0.00000 0.00004 0.00003
110 15F-2 0.00000 -0.00001 0.00000 0.00000 0.00000
111 15F+3 -0.00001 0.00000 -0.00004 0.00000 0.00000
112 15F-3 0.00018 0.00000 0.00004 0.00000 0.00000
113 16F 0 0.00000 0.00008 0.00000 -0.00001 0.00000
114 16F+1 -0.00001 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00006 0.00000 0.00003 0.00000 0.00000
116 16F+2 0.00000 0.00007 0.00000 -0.00001 0.00000
117 16F-2 0.00000 0.00002 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00005 0.00000 0.00002 0.00000 0.00000
21 22 23 24 25
21 10D+2 0.00013
22 10D-2 -0.00003 0.00003
23 11D 0 0.00001 -0.00003 0.00023
24 11D+1 0.00000 0.00000 0.00000 0.00013
25 11D-1 0.00000 0.00000 0.00000 0.00014 0.00027
26 11D+2 0.00035 -0.00012 0.00019 0.00000 0.00000
27 11D-2 0.00001 0.00007 -0.00013 0.00000 0.00000
28 12D 0 0.00010 -0.00003 0.00004 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00004 0.00005
30 12D-1 0.00000 0.00000 0.00000 0.00019 0.00027
31 12D+2 0.00016 -0.00008 0.00028 0.00000 0.00000
32 12D-2 0.00008 0.00003 -0.00008 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00004 0.00006
34 13F+1 0.00003 0.00000 -0.00002 0.00000 0.00000
35 13F-1 -0.00003 0.00001 -0.00005 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00001
37 13F-2 0.00000 0.00000 0.00000 0.00001 0.00001
38 13F+3 0.00000 0.00000 0.00001 0.00000 0.00000
39 13F-3 -0.00001 0.00001 -0.00004 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00006 0.00009
41 14F+1 0.00003 0.00000 -0.00001 0.00000 0.00000
42 14F-1 -0.00004 0.00002 -0.00005 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00007 0.00010
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00001
45 14F+3 0.00001 0.00002 -0.00008 0.00000 0.00000
46 14F-3 -0.00006 0.00001 -0.00007 0.00000 0.00000
47 2 H 1S 0.00183 -0.00035 -0.00125 0.00000 0.00000
48 2S 0.00289 -0.00038 -0.00212 0.00000 0.00000
49 3S 0.00042 -0.00005 -0.00051 0.00000 0.00000
50 4S -0.00006 0.00002 -0.00006 0.00000 0.00000
51 5PX 0.00020 -0.00005 -0.00014 0.00000 0.00000
52 5PY 0.00000 -0.00002 0.00013 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 -0.00012 -0.00014
54 6PX 0.00047 -0.00006 -0.00031 0.00000 0.00000
55 6PY 0.00002 -0.00010 0.00041 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 -0.00035 -0.00041
57 7PX -0.00005 0.00001 0.00003 0.00000 0.00000
58 7PY 0.00005 -0.00003 0.00014 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 -0.00017 -0.00018
60 8D 0 -0.00004 0.00001 0.00003 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 -0.00006 -0.00007
62 8D-1 0.00000 0.00000 0.00000 0.00001 0.00002
63 8D+2 0.00008 -0.00002 -0.00002 0.00000 0.00000
64 8D-2 0.00000 -0.00001 0.00007 0.00000 0.00000
65 9D 0 -0.00001 0.00000 -0.00001 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 -0.00010 -0.00012
67 9D-1 0.00000 0.00000 0.00000 0.00001 0.00003
68 9D+2 0.00003 -0.00002 0.00003 0.00000 0.00000
69 9D-2 0.00002 -0.00002 0.00012 0.00000 0.00000
70 3 Cl 1S -0.00018 0.00003 -0.00025 0.00000 0.00000
71 2S 0.00064 -0.00012 0.00093 0.00000 0.00000
72 3S -0.00140 0.00020 -0.00227 0.00000 0.00000
73 4S -0.00013 -0.00001 -0.00015 0.00000 0.00000
74 5S -0.00007 -0.00016 -0.00045 0.00000 0.00000
75 6S 0.00051 -0.00018 0.00049 0.00000 0.00000
76 7PX -0.00018 0.00076 0.00058 0.00000 0.00000
77 7PY 0.00100 -0.00063 0.00144 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 -0.00044 0.00221
79 8PX 0.00047 -0.00166 -0.00091 0.00000 0.00000
80 8PY -0.00202 0.00124 -0.00394 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00094 -0.00503
82 9PX 0.00022 -0.00077 -0.00042 0.00000 0.00000
83 9PY -0.00097 0.00056 -0.00178 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00044 -0.00235
85 10PX 0.00055 -0.00099 -0.00080 0.00000 0.00000
86 10PY -0.00043 0.00044 -0.00122 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00117 -0.00230
88 11PX 0.00006 -0.00005 -0.00011 0.00000 0.00000
89 11PY 0.00009 -0.00003 0.00006 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00017 -0.00002
91 12D 0 0.00013 -0.00007 0.00026 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
93 12D-1 0.00000 0.00000 0.00000 -0.00026 -0.00029
94 12D+2 0.00023 -0.00012 0.00044 0.00000 0.00000
95 12D-2 -0.00012 -0.00001 0.00014 0.00000 0.00000
96 13D 0 0.00012 -0.00009 0.00034 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00002
98 13D-1 0.00000 0.00000 0.00000 -0.00029 -0.00032
99 13D+2 0.00022 -0.00014 0.00054 0.00000 0.00000
100 13D-2 -0.00013 -0.00001 0.00018 0.00000 0.00000
101 14D 0 -0.00005 -0.00001 -0.00002 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 -0.00001 0.00003
103 14D-1 0.00000 0.00000 0.00000 0.00007 0.00019
104 14D+2 -0.00007 0.00001 -0.00004 0.00000 0.00000
105 14D-2 0.00005 0.00000 0.00002 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00007 0.00012
107 15F+1 0.00001 0.00000 -0.00001 0.00000 0.00000
108 15F-1 0.00006 -0.00003 0.00013 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00009 0.00015
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00005 0.00002 -0.00005 0.00000 0.00000
112 15F-3 0.00007 -0.00004 0.00016 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 -0.00002 0.00000
114 16F+1 -0.00001 0.00001 0.00000 0.00000 0.00000
115 16F-1 0.00001 -0.00002 0.00007 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 -0.00002 -0.00002
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00002
118 16F+3 -0.00001 0.00001 -0.00001 0.00000 0.00000
119 16F-3 0.00001 -0.00001 0.00006 0.00000 0.00000
26 27 28 29 30
26 11D+2 0.00109
27 11D-2 -0.00010 0.00034
28 12D 0 0.00030 0.00001 0.00009
29 12D+1 0.00000 0.00000 0.00000 0.00001
30 12D-1 0.00000 0.00000 0.00000 0.00006 0.00031
31 12D+2 0.00065 -0.00022 0.00017 0.00000 0.00000
32 12D-2 0.00016 0.00025 0.00007 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00001 0.00007
34 13F+1 0.00005 0.00003 0.00002 0.00000 0.00000
35 13F-1 -0.00011 0.00003 -0.00003 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00001
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00002
38 13F+3 0.00001 0.00001 0.00000 0.00000 0.00000
39 13F-3 -0.00005 0.00002 -0.00001 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00002 0.00010
41 14F+1 0.00006 0.00002 0.00002 0.00000 0.00000
42 14F-1 -0.00014 0.00003 -0.00004 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00002 0.00012
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00001
45 14F+3 -0.00004 0.00011 0.00000 0.00000 0.00000
46 14F-3 -0.00021 -0.00002 -0.00006 0.00000 0.00000
47 2 H 1S 0.00395 0.00089 0.00122 0.00000 0.00000
48 2S 0.00615 0.00248 0.00197 0.00000 0.00000
49 3S 0.00078 0.00063 0.00022 0.00000 0.00000
50 4S -0.00020 0.00003 -0.00006 0.00000 0.00000
51 5PX 0.00043 0.00006 0.00013 0.00000 0.00000
52 5PY 0.00010 -0.00012 0.00002 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 -0.00004 -0.00018
54 6PX 0.00103 0.00043 0.00033 0.00000 0.00000
55 6PY 0.00037 -0.00046 0.00006 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 -0.00012 -0.00054
57 7PX -0.00011 0.00001 -0.00004 0.00000 0.00000
58 7PY 0.00025 -0.00010 0.00007 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 -0.00006 -0.00025
60 8D 0 -0.00009 -0.00003 -0.00003 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 -0.00002 -0.00009
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00002
63 8D+2 0.00020 0.00002 0.00006 0.00000 0.00000
64 8D-2 0.00004 -0.00006 0.00001 0.00000 0.00000
65 9D 0 -0.00004 -0.00003 -0.00001 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 -0.00003 -0.00015
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002
68 9D+2 0.00012 -0.00005 0.00003 0.00000 0.00000
69 9D-2 0.00015 -0.00009 0.00004 0.00000 0.00000
70 3 Cl 1S -0.00057 0.00003 -0.00002 0.00000 0.00000
71 2S 0.00208 -0.00012 0.00017 0.00000 0.00000
72 3S -0.00471 0.00037 -0.00106 0.00000 0.00000
73 4S -0.00036 -0.00004 -0.00010 0.00000 0.00000
74 5S 0.00000 -0.00003 0.00018 0.00000 0.00000
75 6S 0.00176 -0.00014 0.00049 0.00000 0.00000
76 7PX -0.00075 0.00260 0.00052 0.00000 0.00000
77 7PY 0.00367 -0.00125 0.00007 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 -0.00033 -0.00009
79 8PX 0.00124 -0.00557 -0.00056 0.00000 0.00000
80 8PY -0.00868 0.00322 -0.00224 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00039 -0.00161
82 9PX 0.00056 -0.00258 -0.00025 0.00000 0.00000
83 9PY -0.00410 0.00139 -0.00114 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00017 -0.00080
85 10PX 0.00126 -0.00291 -0.00016 0.00000 0.00000
86 10PY -0.00220 0.00153 -0.00052 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00043 -0.00005
88 11PX 0.00010 -0.00007 0.00001 0.00000 0.00000
89 11PY 0.00028 -0.00001 0.00008 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00006 0.00015
91 12D 0 0.00055 -0.00016 0.00015 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
93 12D-1 0.00000 0.00000 0.00000 -0.00009 -0.00038
94 12D+2 0.00098 -0.00023 0.00026 0.00000 0.00000
95 12D-2 -0.00020 -0.00023 -0.00008 0.00000 0.00000
96 13D 0 0.00061 -0.00025 0.00015 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00002
98 13D-1 0.00000 0.00000 0.00000 -0.00010 -0.00043
99 13D+2 0.00102 -0.00037 0.00026 0.00000 0.00000
100 13D-2 -0.00020 -0.00027 -0.00008 0.00000 0.00000
101 14D 0 -0.00013 -0.00010 -0.00005 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00001
103 14D-1 0.00000 0.00000 0.00000 0.00002 0.00016
104 14D+2 -0.00022 -0.00005 -0.00007 0.00000 0.00000
105 14D-2 0.00014 0.00006 0.00004 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00002 0.00012
107 15F+1 0.00003 0.00004 0.00001 0.00000 0.00000
108 15F-1 0.00025 -0.00007 0.00007 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00003 0.00016
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00010 0.00014 0.00004 0.00000 0.00000
112 15F-3 0.00033 -0.00007 0.00009 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 -0.00001 -0.00001
114 16F+1 -0.00002 0.00001 0.00000 0.00000 0.00000
115 16F-1 0.00009 -0.00007 0.00002 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 -0.00001 -0.00003
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00001
118 16F+3 -0.00003 0.00002 -0.00001 0.00000 0.00000
119 16F-3 0.00007 -0.00004 0.00002 0.00000 0.00000
31 32 33 34 35
31 12D+2 0.00064
32 12D-2 -0.00006 0.00024
33 13F 0 0.00000 0.00000 0.00001
34 13F+1 0.00000 0.00003 0.00000 0.00001
35 13F-1 -0.00010 0.00001 0.00000 0.00000 0.00002
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 0.00002 0.00001 0.00000 0.00000 0.00000
39 13F-3 -0.00006 0.00001 0.00000 0.00000 0.00001
40 14F 0 0.00000 0.00000 0.00002 0.00000 0.00000
41 14F+1 0.00002 0.00003 0.00000 0.00001 0.00000
42 14F-1 -0.00011 -0.00001 0.00000 0.00000 0.00002
43 14F+2 0.00000 0.00000 0.00003 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00010 0.00009 0.00000 0.00001 0.00002
46 14F-3 -0.00013 -0.00006 0.00000 -0.00001 0.00002
47 2 H 1S 0.00073 0.00165 0.00000 0.00052 -0.00013
48 2S 0.00024 0.00357 0.00000 0.00089 -0.00012
49 3S -0.00081 0.00089 0.00000 0.00016 0.00005
50 4S -0.00015 -0.00001 0.00000 -0.00001 0.00002
51 5PX 0.00011 0.00014 0.00000 0.00006 -0.00002
52 5PY 0.00018 -0.00008 0.00000 -0.00002 -0.00003
53 5PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
54 6PX 0.00009 0.00060 0.00000 0.00014 -0.00003
55 6PY 0.00061 -0.00030 0.00000 -0.00005 -0.00010
56 6PZ 0.00000 0.00000 -0.00012 0.00000 0.00000
57 7PX -0.00013 0.00001 0.00000 -0.00001 0.00001
58 7PY 0.00034 -0.00006 0.00000 -0.00001 -0.00005
59 7PZ 0.00000 0.00000 -0.00005 0.00000 0.00000
60 8D 0 -0.00002 -0.00004 0.00000 -0.00001 0.00000
61 8D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00007 0.00006 0.00000 0.00002 -0.00001
64 8D-2 0.00009 -0.00004 0.00000 -0.00001 -0.00001
65 9D 0 -0.00002 -0.00003 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 -0.00003 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
68 9D+2 0.00009 -0.00002 0.00000 0.00000 -0.00001
69 9D-2 0.00020 -0.00005 0.00000 -0.00001 -0.00003
70 3 Cl 1S 0.00006 -0.00023 0.00000 -0.00001 0.00005
71 2S -0.00006 0.00074 0.00000 0.00002 -0.00017
72 3S -0.00131 -0.00083 0.00000 -0.00004 0.00041
73 4S 0.00001 -0.00009 0.00000 -0.00001 0.00001
74 5S 0.00144 -0.00015 0.00000 0.00006 -0.00011
75 6S 0.00122 0.00025 0.00000 0.00006 -0.00020
76 7PX -0.00049 0.00030 0.00000 0.00003 0.00001
77 7PY 0.00109 0.00108 0.00000 0.00003 -0.00068
78 7PZ 0.00000 0.00000 0.00015 0.00000 0.00000
79 8PX -0.00216 -0.00277 0.00000 0.00001 -0.00001
80 8PY -0.00846 0.00090 0.00000 0.00002 0.00132
81 8PZ 0.00000 0.00000 -0.00022 0.00000 0.00000
82 9PX -0.00111 -0.00135 0.00000 0.00001 0.00000
83 9PY -0.00406 0.00041 0.00000 -0.00001 0.00060
84 9PZ 0.00000 0.00000 -0.00010 0.00000 0.00000
85 10PX -0.00149 -0.00116 0.00000 0.00010 0.00001
86 10PY -0.00271 0.00084 0.00000 0.00007 0.00040
87 10PZ 0.00000 0.00000 0.00007 0.00000 0.00000
88 11PX -0.00014 0.00002 0.00000 0.00002 0.00001
89 11PY 0.00014 0.00006 0.00000 0.00001 -0.00003
90 11PZ 0.00000 0.00000 0.00004 0.00000 0.00000
91 12D 0 0.00050 -0.00001 0.00000 0.00000 -0.00008
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 -0.00008 0.00000 0.00000
94 12D+2 0.00085 0.00001 0.00000 0.00001 -0.00014
95 12D-2 0.00010 -0.00024 0.00000 -0.00005 -0.00001
96 13D 0 0.00060 -0.00008 0.00000 -0.00001 -0.00010
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.00009 0.00000 0.00000
99 13D+2 0.00100 -0.00009 0.00000 -0.00001 -0.00016
100 13D-2 0.00015 -0.00028 0.00000 -0.00005 -0.00002
101 14D 0 -0.00006 -0.00010 0.00000 -0.00001 0.00001
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00003 0.00000 0.00000
104 14D+2 -0.00007 -0.00010 0.00000 -0.00001 0.00002
105 14D-2 0.00007 0.00007 0.00000 0.00001 -0.00001
106 15F 0 0.00000 0.00000 0.00003 0.00000 0.00000
107 15F+1 0.00000 0.00004 0.00000 0.00001 0.00000
108 15F-1 0.00022 0.00000 0.00000 0.00000 -0.00004
109 15F+2 0.00000 0.00000 0.00003 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 -0.00001 0.00013 0.00000 0.00002 0.00000
112 15F-3 0.00028 0.00001 0.00000 0.00000 -0.00005
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00010 -0.00004 0.00000 -0.00001 -0.00002
116 16F+2 0.00000 0.00000 -0.00001 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00010 -0.00002 0.00000 0.00000 -0.00002
36 37 38 39 40
36 13F+2 0.00000
37 13F-2 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00001
40 14F 0 0.00000 0.00001 0.00000 0.00000 0.00003
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00001 0.00000
43 14F+2 0.00000 0.00001 0.00000 0.00000 0.00004
44 14F-2 0.00000 0.00000 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 -0.00001 0.00002 0.00000
47 2 H 1S 0.00000 0.00000 -0.00008 0.00017 0.00000
48 2S 0.00000 0.00000 -0.00010 0.00026 0.00000
49 3S 0.00000 0.00000 -0.00006 0.00006 0.00000
50 4S 0.00000 0.00000 0.00000 0.00001 0.00000
51 5PX 0.00000 0.00000 -0.00001 0.00002 0.00000
52 5PY 0.00000 0.00000 0.00000 -0.00002 0.00000
53 5PZ 0.00000 -0.00001 0.00000 0.00000 -0.00006
54 6PX 0.00000 0.00000 -0.00001 0.00004 0.00000
55 6PY 0.00000 0.00000 0.00001 -0.00008 0.00000
56 6PZ -0.00001 -0.00003 0.00000 0.00000 -0.00018
57 7PX 0.00000 0.00000 0.00000 -0.00001 0.00000
58 7PY 0.00000 0.00000 0.00001 -0.00003 0.00000
59 7PZ 0.00000 -0.00001 0.00000 0.00000 -0.00008
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 -0.00001 0.00000 0.00000 -0.00003
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00001
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 -0.00001 0.00000 0.00000 -0.00005
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001
68 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
69 9D-2 0.00000 0.00000 0.00001 -0.00002 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00001 0.00004 0.00000
71 2S 0.00000 0.00000 -0.00003 -0.00015 0.00000
72 3S 0.00000 0.00000 0.00002 0.00042 0.00000
73 4S 0.00000 0.00000 0.00001 0.00003 0.00000
74 5S 0.00000 0.00000 0.00009 0.00003 0.00000
75 6S 0.00000 0.00000 0.00004 -0.00012 0.00000
76 7PX 0.00000 0.00000 0.00040 -0.00010 0.00000
77 7PY 0.00000 0.00000 0.00007 -0.00035 0.00000
78 7PZ 0.00031 -0.00005 0.00000 0.00000 -0.00002
79 8PX 0.00000 0.00000 -0.00084 0.00013 0.00000
80 8PY 0.00000 0.00000 -0.00021 0.00084 0.00000
81 8PZ -0.00063 0.00008 0.00000 0.00000 -0.00051
82 9PX 0.00000 0.00000 -0.00039 0.00006 0.00000
83 9PY 0.00000 0.00000 -0.00010 0.00038 0.00000
84 9PZ -0.00029 0.00004 0.00000 0.00000 -0.00025
85 10PX 0.00000 0.00000 -0.00051 0.00011 0.00000
86 10PY 0.00000 0.00000 -0.00004 0.00024 0.00000
87 10PZ -0.00036 0.00010 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 -0.00003 0.00002 0.00000
89 11PY 0.00000 0.00000 0.00000 -0.00002 0.00000
90 11PZ -0.00002 0.00001 0.00000 0.00000 0.00005
91 12D 0 0.00000 0.00000 0.00002 -0.00006 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 -0.00002 0.00000 0.00000 -0.00013
94 12D+2 0.00000 0.00000 0.00003 -0.00010 0.00000
95 12D-2 0.00000 0.00000 0.00000 -0.00002 0.00000
96 13D 0 0.00000 0.00000 0.00002 -0.00007 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00001
98 13D-1 0.00000 -0.00002 0.00000 0.00000 -0.00014
99 13D+2 0.00000 0.00000 0.00003 -0.00011 0.00000
100 13D-2 0.00000 0.00000 0.00000 -0.00003 0.00000
101 14D 0 0.00000 0.00000 -0.00001 0.00001 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00001 0.00001 0.00000 0.00000 0.00005
104 14D+2 0.00000 0.00000 0.00000 0.00001 0.00000
105 14D-2 0.00000 0.00000 0.00001 -0.00001 0.00000
106 15F 0 0.00001 0.00001 0.00000 0.00000 0.00004
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00001 -0.00003 0.00000
109 15F+2 0.00001 0.00001 0.00000 0.00000 0.00005
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00001 0.00001 0.00000
112 15F-3 0.00000 0.00000 0.00001 -0.00003 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 -0.00001 0.00000
41 42 43 44 45
41 14F+1 0.00001
42 14F-1 0.00000 0.00002
43 14F+2 0.00000 0.00000 0.00005
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00001 0.00001 0.00000 0.00000 0.00005
46 14F-3 -0.00001 0.00003 0.00000 0.00000 0.00000
47 2 H 1S 0.00045 -0.00024 0.00000 0.00000 0.00059
48 2S 0.00073 -0.00037 0.00000 0.00000 0.00128
49 3S 0.00009 -0.00003 0.00000 0.00000 0.00033
50 4S -0.00001 0.00003 0.00000 0.00000 0.00002
51 5PX 0.00005 -0.00003 0.00000 0.00000 0.00005
52 5PY -0.00001 -0.00003 0.00000 0.00000 -0.00006
53 5PZ 0.00000 0.00000 -0.00007 0.00000 0.00000
54 6PX 0.00012 -0.00007 0.00000 0.00000 0.00021
55 6PY -0.00003 -0.00010 0.00000 0.00000 -0.00020
56 6PZ 0.00000 0.00000 -0.00020 0.00001 0.00000
57 7PX -0.00002 0.00001 0.00000 0.00000 0.00000
58 7PY 0.00001 -0.00005 0.00000 0.00000 -0.00005
59 7PZ 0.00000 0.00000 -0.00009 0.00000 0.00000
60 8D 0 -0.00001 0.00001 0.00000 0.00000 -0.00001
61 8D+1 0.00000 0.00000 -0.00003 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
63 8D+2 0.00002 -0.00002 0.00000 0.00000 0.00001
64 8D-2 -0.00001 -0.00001 0.00000 0.00000 -0.00003
65 9D 0 0.00000 0.00001 0.00000 0.00000 -0.00001
66 9D+1 0.00000 0.00000 -0.00006 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
68 9D+2 0.00000 -0.00002 0.00000 0.00000 -0.00002
69 9D-2 0.00000 -0.00003 0.00000 0.00000 -0.00005
70 3 Cl 1S 0.00001 0.00008 0.00000 0.00000 0.00008
71 2S -0.00005 -0.00033 0.00000 0.00000 -0.00030
72 3S 0.00012 0.00081 0.00000 0.00000 0.00051
73 4S 0.00002 0.00006 0.00000 0.00000 0.00001
74 5S 0.00022 0.00004 0.00000 0.00000 0.00014
75 6S 0.00009 -0.00026 0.00000 0.00000 -0.00009
76 7PX -0.00013 0.00007 0.00000 0.00000 0.00031
77 7PY 0.00007 -0.00036 0.00000 0.00000 -0.00068
78 7PZ 0.00000 0.00000 0.00011 -0.00020 0.00000
79 8PX -0.00028 -0.00010 0.00000 0.00000 -0.00100
80 8PY -0.00025 0.00149 0.00000 0.00000 0.00143
81 8PZ 0.00000 0.00000 -0.00065 0.00053 0.00000
82 9PX -0.00014 -0.00004 0.00000 0.00000 -0.00047
83 9PY -0.00013 0.00071 0.00000 0.00000 0.00061
84 9PZ 0.00000 0.00000 -0.00031 0.00025 0.00000
85 10PX -0.00010 -0.00008 0.00000 0.00000 -0.00041
86 10PY -0.00003 0.00041 0.00000 0.00000 0.00060
87 10PZ 0.00000 0.00000 -0.00004 0.00030 0.00000
88 11PX 0.00001 0.00000 0.00000 0.00000 0.00001
89 11PY 0.00001 -0.00004 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00006 0.00001 0.00000
91 12D 0 0.00001 -0.00010 0.00000 0.00000 -0.00008
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 -0.00015 0.00001 0.00000
94 12D+2 0.00003 -0.00017 0.00000 0.00000 -0.00012
95 12D-2 -0.00004 0.00000 0.00000 0.00000 -0.00010
96 13D 0 0.00001 -0.00011 0.00000 0.00000 -0.00012
97 13D+1 0.00000 0.00000 0.00001 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.00016 0.00001 0.00000
99 13D+2 0.00002 -0.00019 0.00000 0.00000 -0.00018
100 13D-2 -0.00004 0.00000 0.00000 0.00000 -0.00012
101 14D 0 -0.00001 0.00002 0.00000 0.00000 -0.00002
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00006 -0.00001 0.00000
104 14D+2 -0.00001 0.00003 0.00000 0.00000 -0.00001
105 14D-2 0.00001 -0.00002 0.00000 0.00000 0.00001
106 15F 0 0.00000 0.00000 0.00005 -0.00001 0.00000
107 15F+1 0.00001 0.00000 0.00000 0.00000 0.00001
108 15F-1 0.00001 -0.00005 0.00000 0.00000 -0.00004
109 15F+2 0.00000 0.00000 0.00006 -0.00001 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00002 0.00000 0.00000 0.00000 0.00005
112 15F-3 0.00001 -0.00006 0.00000 0.00000 -0.00004
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 -0.00002 0.00000 0.00000 -0.00003
116 16F+2 0.00000 0.00000 -0.00001 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00001 0.00000 0.00000 0.00001
119 16F-3 0.00000 -0.00002 0.00000 0.00000 -0.00002
46 47 48 49 50
46 14F-3 0.00006
47 2 H 1S -0.00048 0.03426
48 2S -0.00100 0.05462 0.09615
49 3S -0.00020 0.00871 0.02101 0.00948
50 4S 0.00004 -0.00053 -0.00063 0.00013 0.00005
51 5PX -0.00004 0.00381 0.00564 0.00062 -0.00007
52 5PY -0.00003 -0.00081 -0.00155 -0.00040 -0.00003
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX -0.00018 0.00876 0.01545 0.00324 -0.00012
55 6PY -0.00008 -0.00216 -0.00475 -0.00148 -0.00011
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00000 -0.00103 -0.00076 0.00068 0.00004
58 7PY -0.00005 0.00001 -0.00079 -0.00095 -0.00007
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00001 -0.00077 -0.00127 -0.00022 0.00001
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 -0.00003 0.00127 0.00205 0.00034 -0.00003
64 8D-2 -0.00001 -0.00046 -0.00089 -0.00025 -0.00002
65 9D 0 0.00001 -0.00017 -0.00032 0.00000 0.00001
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 -0.00002 0.00033 0.00044 0.00008 -0.00002
69 9D-2 -0.00004 -0.00035 -0.00089 -0.00042 -0.00004
70 3 Cl 1S 0.00018 -0.00049 -0.00045 -0.00024 0.00015
71 2S -0.00066 0.00169 0.00135 0.00084 -0.00058
72 3S 0.00107 -0.00397 -0.00317 -0.00086 0.00173
73 4S 0.00005 -0.00072 -0.00072 -0.00015 0.00019
74 5S -0.00005 0.00372 0.00874 0.00042 0.00053
75 6S -0.00041 0.00457 0.00787 0.00112 -0.00032
76 7PX -0.00030 -0.00441 -0.00602 -0.01158 -0.00045
77 7PY -0.00118 0.00401 0.00550 0.00089 -0.00075
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00074 0.01042 0.02322 0.03032 0.00091
80 8PY 0.00191 -0.00704 -0.00401 0.00624 0.00178
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00035 0.00493 0.01126 0.01436 0.00043
83 9PY 0.00088 -0.00425 -0.00369 0.00266 0.00083
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00033 0.01158 0.02463 0.02129 0.00052
86 10PY 0.00039 0.00046 0.00620 0.00473 0.00051
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00001 0.00144 0.00294 0.00158 0.00003
89 11PY -0.00007 0.00089 0.00177 0.00054 -0.00004
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 -0.00014 0.00034 0.00056 -0.00003 -0.00011
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 -0.00024 0.00086 0.00149 0.00002 -0.00019
95 12D-2 0.00004 -0.00251 -0.00491 -0.00127 0.00000
96 13D 0 -0.00015 -0.00015 -0.00049 -0.00032 -0.00013
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.00025 -0.00001 -0.00032 -0.00051 -0.00021
100 13D-2 0.00005 -0.00295 -0.00586 -0.00158 0.00000
101 14D 0 0.00004 -0.00058 -0.00122 -0.00016 0.00003
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00006 -0.00078 -0.00176 -0.00059 0.00004
105 14D-2 -0.00004 0.00052 0.00099 0.00010 -0.00003
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 -0.00001 0.00031 0.00059 0.00009 0.00000
108 15F-1 -0.00007 0.00005 0.00015 0.00000 -0.00005
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 -0.00003 0.00109 0.00208 0.00031 -0.00001
112 15F-3 -0.00009 0.00015 0.00036 0.00004 -0.00006
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 -0.00009 -0.00018 -0.00012 0.00000
115 16F-1 -0.00002 -0.00021 -0.00054 -0.00019 -0.00002
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00001 -0.00007 -0.00012 -0.00009 0.00000
119 16F-3 -0.00002 -0.00019 -0.00049 -0.00025 -0.00002
51 52 53 54 55
51 5PX 0.00044
52 5PY -0.00008 0.00009
53 5PZ 0.00000 0.00000 0.00012
54 6PX 0.00090 -0.00024 0.00000 0.00250
55 6PY -0.00020 0.00028 0.00000 -0.00074 0.00096
56 6PZ 0.00000 0.00000 0.00034 0.00000 0.00000
57 7PX -0.00016 0.00001 0.00000 -0.00014 -0.00002
58 7PY 0.00003 0.00009 0.00000 -0.00009 0.00034
59 7PZ 0.00000 0.00000 0.00016 0.00000 0.00000
60 8D 0 -0.00008 0.00002 0.00000 -0.00021 0.00005
61 8D+1 0.00000 0.00000 0.00006 0.00000 0.00000
62 8D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
63 8D+2 0.00014 -0.00001 0.00000 0.00033 -0.00003
64 8D-2 -0.00005 0.00004 0.00000 -0.00014 0.00014
65 9D 0 -0.00002 0.00000 0.00000 -0.00006 0.00001
66 9D+1 0.00000 0.00000 0.00009 0.00000 0.00000
67 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
68 9D+2 0.00004 0.00002 0.00000 0.00007 0.00009
69 9D-2 -0.00003 0.00007 0.00000 -0.00013 0.00025
70 3 Cl 1S -0.00009 -0.00005 0.00000 -0.00011 -0.00037
71 2S 0.00032 0.00018 0.00000 0.00038 0.00118
72 3S -0.00074 -0.00027 0.00000 -0.00085 -0.00139
73 4S -0.00013 0.00006 0.00000 -0.00014 0.00015
74 5S 0.00013 0.00035 0.00000 0.00142 0.00080
75 6S 0.00045 0.00026 0.00000 0.00137 0.00085
76 7PX -0.00018 -0.00023 0.00000 -0.00007 -0.00120
77 7PY 0.00046 0.00131 0.00000 0.00094 0.00561
78 7PZ 0.00000 0.00000 0.00027 0.00000 0.00000
79 8PX 0.00068 0.00034 0.00000 0.00184 0.00160
80 8PY -0.00089 -0.00261 0.00000 -0.00122 -0.00884
81 8PZ 0.00000 0.00000 -0.00064 0.00000 0.00000
82 9PX 0.00033 0.00015 0.00000 0.00093 0.00070
83 9PY -0.00050 -0.00115 0.00000 -0.00088 -0.00379
84 9PZ 0.00000 0.00000 -0.00030 0.00000 0.00000
85 10PX 0.00090 -0.00001 0.00000 0.00282 0.00022
86 10PY -0.00013 -0.00093 0.00000 0.00088 -0.00327
87 10PZ 0.00000 0.00000 -0.00096 0.00000 0.00000
88 11PX 0.00013 -0.00005 0.00000 0.00041 -0.00015
89 11PY 0.00008 0.00002 0.00000 0.00029 0.00007
90 11PZ 0.00000 0.00000 -0.00015 0.00000 0.00000
91 12D 0 0.00002 0.00016 0.00000 0.00013 0.00051
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00025 0.00000 0.00000
94 12D+2 0.00006 0.00026 0.00000 0.00031 0.00083
95 12D-2 -0.00024 0.00011 0.00000 -0.00079 0.00038
96 13D 0 -0.00002 0.00021 0.00000 -0.00004 0.00070
97 13D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00028 0.00000 0.00000
99 13D+2 -0.00002 0.00034 0.00000 0.00002 0.00111
100 13D-2 -0.00028 0.00014 0.00000 -0.00094 0.00048
101 14D 0 -0.00005 0.00001 0.00000 -0.00022 0.00005
102 14D+1 0.00000 0.00000 0.00001 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00007 0.00000 0.00000
104 14D+2 -0.00006 0.00000 0.00000 -0.00030 0.00001
105 14D-2 0.00005 0.00000 0.00000 0.00018 -0.00001
106 15F 0 0.00000 0.00000 -0.00007 0.00000 0.00000
107 15F+1 0.00003 -0.00001 0.00000 0.00010 -0.00005
108 15F-1 0.00000 0.00007 0.00000 0.00004 0.00023
109 15F+2 0.00000 0.00000 -0.00009 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00011 -0.00005 0.00000 0.00035 -0.00017
112 15F-3 0.00000 0.00009 0.00000 0.00008 0.00028
113 16F 0 0.00000 0.00000 0.00001 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00002 0.00000
115 16F-1 -0.00002 0.00004 0.00000 -0.00008 0.00015
116 16F+2 0.00000 0.00000 0.00002 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00001 -0.00001 0.00000 -0.00002 -0.00003
119 16F-3 -0.00001 0.00004 0.00000 -0.00007 0.00013
56 57 58 59 60
56 6PZ 0.00098
57 7PX 0.00000 0.00016
58 7PY 0.00000 -0.00012 0.00023
59 7PZ 0.00047 0.00000 0.00000 0.00023
60 8D 0 0.00000 0.00002 0.00000 0.00000 0.00002
61 8D+1 0.00017 0.00000 0.00000 0.00008 0.00000
62 8D-1 -0.00003 0.00000 0.00000 -0.00002 0.00000
63 8D+2 0.00000 -0.00003 0.00002 0.00000 -0.00003
64 8D-2 0.00000 0.00000 0.00005 0.00000 0.00001
65 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
66 9D+1 0.00026 0.00000 0.00000 0.00012 0.00000
67 9D-1 -0.00004 0.00000 0.00000 -0.00001 0.00000
68 9D+2 0.00000 -0.00001 0.00003 0.00000 -0.00001
69 9D-2 0.00000 -0.00002 0.00011 0.00000 0.00001
70 3 Cl 1S 0.00000 -0.00015 0.00014 0.00000 0.00000
71 2S 0.00000 0.00052 -0.00062 0.00000 -0.00002
72 3S 0.00000 -0.00074 0.00163 0.00000 0.00006
73 4S 0.00000 -0.00006 0.00033 0.00000 0.00001
74 5S 0.00000 -0.00066 0.00208 0.00000 -0.00013
75 6S 0.00000 -0.00010 0.00053 0.00000 -0.00012
76 7PX 0.00000 -0.00141 0.00100 0.00000 -0.00001
77 7PY 0.00000 0.00041 0.00237 0.00000 -0.00010
78 7PZ 0.00015 0.00000 0.00000 0.00064 0.00000
79 8PX 0.00000 0.00362 -0.00384 0.00000 -0.00012
80 8PY 0.00000 0.00098 -0.00459 0.00000 0.00020
81 8PZ -0.00112 0.00000 0.00000 -0.00182 0.00000
82 9PX 0.00000 0.00171 -0.00185 0.00000 -0.00006
83 9PY 0.00000 0.00052 -0.00207 0.00000 0.00012
84 9PZ -0.00054 0.00000 0.00000 -0.00086 0.00000
85 10PX 0.00000 0.00223 -0.00255 0.00000 -0.00020
86 10PY 0.00000 0.00051 -0.00163 0.00000 -0.00002
87 10PZ -0.00234 0.00000 0.00000 -0.00189 0.00000
88 11PX 0.00000 0.00012 -0.00018 0.00000 -0.00003
89 11PY 0.00000 0.00002 0.00002 0.00000 -0.00002
90 11PZ -0.00042 0.00000 0.00000 -0.00024 0.00000
91 12D 0 0.00000 -0.00001 0.00024 0.00000 -0.00001
92 12D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00071 0.00000 0.00000 0.00034 0.00000
94 12D+2 0.00000 -0.00002 0.00041 0.00000 -0.00003
95 12D-2 0.00000 0.00000 0.00010 0.00000 0.00006
96 13D 0 0.00000 0.00000 0.00030 0.00000 0.00000
97 13D+1 -0.00002 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00080 0.00000 0.00000 0.00039 0.00000
99 13D+2 0.00000 -0.00002 0.00051 0.00000 -0.00001
100 13D-2 0.00000 -0.00001 0.00013 0.00000 0.00007
101 14D 0 0.00000 0.00002 -0.00002 0.00000 0.00002
102 14D+1 0.00001 0.00000 0.00000 0.00001 0.00000
103 14D-1 -0.00022 0.00000 0.00000 -0.00008 0.00000
104 14D+2 0.00000 -0.00004 0.00002 0.00000 0.00002
105 14D-2 0.00000 -0.00002 0.00003 0.00000 -0.00001
106 15F 0 -0.00020 0.00000 0.00000 -0.00009 0.00000
107 15F+1 0.00000 -0.00001 0.00000 0.00000 -0.00001
108 15F-1 0.00000 0.00001 0.00010 0.00000 0.00000
109 15F+2 -0.00026 0.00000 0.00000 -0.00011 0.00000
110 15F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 -0.00003 -0.00001 0.00000 -0.00003
112 15F-3 0.00000 0.00001 0.00013 0.00000 -0.00001
113 16F 0 0.00004 0.00000 0.00000 0.00002 0.00000
114 16F+1 0.00000 -0.00001 0.00001 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00005 0.00000 0.00001
116 16F+2 0.00005 0.00000 0.00000 0.00003 0.00000
117 16F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 -0.00001 0.00000 0.00000 0.00000
119 16F-3 0.00000 -0.00002 0.00006 0.00000 0.00000
61 62 63 64 65
61 8D+1 0.00003
62 8D-1 -0.00001 0.00000
63 8D+2 0.00000 0.00000 0.00005
64 8D-2 0.00000 0.00000 -0.00001 0.00002
65 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00001
66 9D+1 0.00004 -0.00001 0.00000 0.00000 0.00000
67 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00002 0.00001 0.00000
69 9D-2 0.00000 0.00000 0.00000 0.00004 0.00000
70 3 Cl 1S 0.00000 0.00000 -0.00007 -0.00005 0.00000
71 2S 0.00000 0.00000 0.00024 0.00017 -0.00004
72 3S 0.00000 0.00000 -0.00044 -0.00022 0.00022
73 4S 0.00000 0.00000 -0.00004 0.00002 0.00003
74 5S 0.00000 0.00000 0.00015 0.00011 0.00000
75 6S 0.00000 0.00000 0.00028 0.00012 -0.00007
76 7PX 0.00000 0.00000 -0.00021 0.00010 -0.00009
77 7PY 0.00000 0.00000 0.00054 0.00076 0.00013
78 7PZ 0.00004 0.00007 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00052 -0.00015 0.00096
80 8PY 0.00000 0.00000 -0.00092 -0.00128 0.00023
81 8PZ -0.00019 -0.00014 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00025 -0.00007 0.00047
83 9PY 0.00000 0.00000 -0.00045 -0.00055 0.00013
84 9PZ -0.00009 -0.00006 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00051 -0.00021 0.00054
86 10PY 0.00000 0.00000 -0.00016 -0.00046 0.00001
87 10PZ -0.00039 -0.00002 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00005 -0.00004 0.00002
89 11PY 0.00000 0.00000 0.00005 0.00001 -0.00001
90 11PZ -0.00007 0.00001 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00006 0.00008 -0.00002
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00012 -0.00002 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00011 0.00012 -0.00003
95 12D-2 0.00000 0.00000 -0.00009 0.00006 0.00002
96 13D 0 0.00000 0.00000 0.00005 0.00010 -0.00001
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00013 -0.00003 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00009 0.00017 -0.00003
100 13D-2 0.00000 0.00000 -0.00010 0.00008 0.00002
101 14D 0 0.00000 0.00000 -0.00003 0.00000 0.00002
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.00004 0.00001 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 -0.00004 0.00000 0.00001
105 14D-2 0.00000 0.00000 0.00003 0.00000 -0.00001
106 15F 0 -0.00003 0.00001 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00001 -0.00001 0.00000
108 15F-1 0.00000 0.00000 0.00002 0.00004 -0.00001
109 15F+2 -0.00004 0.00001 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00004 -0.00002 -0.00002
112 15F-3 0.00000 0.00000 0.00003 0.00004 -0.00001
113 16F 0 0.00001 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00002 0.00000
116 16F+2 0.00001 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00002 0.00000
66 67 68 69 70
66 9D+1 0.00007
67 9D-1 -0.00001 0.00000
68 9D+2 0.00000 0.00000 0.00002
69 9D-2 0.00000 0.00000 0.00002 0.00007
70 3 Cl 1S 0.00000 0.00000 0.00003 -0.00016 1.08528
71 2S 0.00000 0.00000 -0.00014 0.00053 -0.29968
72 3S 0.00000 0.00000 0.00039 -0.00087 0.05433
73 4S 0.00000 0.00000 0.00009 -0.00001 -0.01639
74 5S 0.00000 0.00000 0.00060 0.00006 0.03310
75 6S 0.00000 0.00000 0.00021 0.00031 0.00060
76 7PX 0.00000 0.00000 -0.00054 0.00042 -0.00020
77 7PY 0.00000 0.00000 0.00050 0.00168 0.00303
78 7PZ -0.00014 0.00051 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00129 -0.00078 0.00039
80 8PY 0.00000 0.00000 -0.00139 -0.00264 -0.00524
81 8PZ 0.00014 -0.00065 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00061 -0.00036 0.00026
83 9PY 0.00000 0.00000 -0.00065 -0.00115 -0.00335
84 9PZ 0.00006 -0.00029 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00079 -0.00062 -0.00011
86 10PY 0.00000 0.00000 -0.00046 -0.00090 -0.00244
87 10PZ -0.00036 -0.00032 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00004 -0.00007 0.00002
89 11PY 0.00000 0.00000 0.00003 0.00003 -0.00020
90 11PZ -0.00010 -0.00001 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00008 0.00015 0.00032
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00019 -0.00002 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00014 0.00026 0.00058
95 12D-2 0.00000 0.00000 0.00000 0.00008 -0.00001
96 13D 0 0.00000 0.00000 0.00010 0.00020 -0.00015
97 13D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00021 -0.00003 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00016 0.00033 -0.00007
100 13D-2 0.00000 0.00000 0.00000 0.00011 -0.00012
101 14D 0 0.00000 0.00000 0.00000 -0.00001 0.00020
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.00007 0.00002 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 -0.00001 -0.00001 0.00043
105 14D-2 0.00000 0.00000 0.00000 0.00001 -0.00019
106 15F 0 -0.00006 0.00001 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 -0.00001 0.00000
108 15F-1 0.00000 0.00000 0.00003 0.00007 -0.00002
109 15F+2 -0.00007 0.00001 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 -0.00001 -0.00003 0.00000
112 15F-3 0.00000 0.00000 0.00004 0.00009 -0.00001
113 16F 0 0.00001 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00003
115 16F-1 0.00000 0.00000 0.00002 0.00004 -0.00021
116 16F+2 0.00001 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 -0.00001 -0.00001 0.00006
119 16F-3 0.00000 0.00000 0.00001 0.00004 -0.00017
71 72 73 74 75
71 2S 1.05566
72 3S -0.19972 0.38092
73 4S 0.05419 0.04589 0.01210
74 5S -0.12254 0.24245 0.03056 0.16502
75 6S -0.00209 -0.00031 0.00031 0.00566 0.00332
76 7PX 0.00046 -0.00225 -0.00050 0.00051 0.00055
77 7PY -0.01225 0.02222 0.00661 0.01797 0.00670
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX -0.00080 0.00501 0.00096 -0.00314 -0.00067
80 8PY 0.02154 -0.04546 -0.00942 -0.06211 -0.01809
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX -0.00061 0.00255 0.00045 -0.00140 -0.00030
83 9PY 0.01269 -0.02173 -0.00407 -0.03009 -0.00858
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00081 0.00014 0.00014 -0.00289 0.00026
86 10PY 0.00974 -0.02254 -0.00400 -0.02314 -0.00470
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX -0.00003 0.00012 -0.00001 -0.00010 0.00003
89 11PY 0.00077 -0.00200 -0.00020 -0.00047 0.00048
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 -0.00128 0.00141 0.00036 0.00305 0.00118
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 -0.00229 0.00265 0.00065 0.00546 0.00207
95 12D-2 0.00005 -0.00011 0.00003 -0.00036 -0.00024
96 13D 0 0.00027 0.00119 0.00051 0.00317 0.00131
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.00021 0.00328 0.00101 0.00618 0.00222
100 13D-2 0.00043 -0.00067 -0.00001 -0.00068 -0.00024
101 14D 0 -0.00071 0.00155 0.00018 0.00054 -0.00024
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 -0.00160 0.00355 0.00041 0.00164 -0.00036
105 14D-2 0.00069 -0.00148 -0.00016 -0.00053 0.00023
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 -0.00004 -0.00001 0.00004 0.00004
108 15F-1 0.00001 -0.00004 0.00011 0.00096 0.00054
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 -0.00006 -0.00003 0.00020 0.00015
112 15F-3 -0.00006 0.00004 0.00014 0.00130 0.00069
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 -0.00010 0.00023 0.00003 0.00014 -0.00002
115 16F-1 0.00075 -0.00107 -0.00007 -0.00039 0.00016
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00022 0.00043 0.00004 0.00020 -0.00005
119 16F-3 0.00056 -0.00048 0.00001 -0.00001 0.00015
76 77 78 79 80
76 7PX 1.01710
77 7PY 0.00067 0.97588
78 7PZ 0.00000 0.00000 1.01761
79 8PX -0.15441 -0.00131 0.00000 0.32033
80 8PY -0.00117 -0.07640 0.00000 0.00219 0.13181
81 8PZ 0.00000 0.00000 -0.15540 0.00000 0.00000
82 9PX -0.01392 -0.00079 0.00000 0.14912 0.00112
83 9PY -0.00084 0.03124 0.00000 0.00183 0.05927
84 9PZ 0.00000 0.00000 -0.01461 0.00000 0.00000
85 10PX -0.08912 -0.00124 0.00000 0.19485 0.00364
86 10PY 0.00037 -0.02505 0.00000 -0.00226 0.04217
87 10PZ 0.00000 0.00000 -0.08897 0.00000 0.00000
88 11PX -0.00527 -0.00061 0.00000 0.01050 0.00105
89 11PY -0.00059 0.00045 0.00000 0.00144 -0.00194
90 11PZ 0.00000 0.00000 -0.00602 0.00000 0.00000
91 12D 0 -0.00012 0.00318 0.00000 0.00035 -0.00778
92 12D+1 0.00000 0.00000 0.00016 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00162 0.00000 0.00000
94 12D+2 0.00002 0.00549 0.00000 -0.00013 -0.01336
95 12D-2 0.00098 0.00049 0.00000 0.00001 -0.00129
96 13D 0 -0.00049 0.00664 0.00000 0.00091 -0.00946
97 13D+1 0.00000 0.00000 0.00051 0.00000 0.00000
98 13D-1 0.00000 0.00000 -0.00022 0.00000 0.00000
99 13D+2 0.00012 0.01117 0.00000 0.00007 -0.01579
100 13D-2 -0.00137 0.00087 0.00000 -0.00035 -0.00181
101 14D 0 -0.00103 0.00048 0.00000 0.00265 0.00044
102 14D+1 0.00000 0.00000 0.00095 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00234 0.00000 0.00000
104 14D+2 0.00038 0.00103 0.00000 -0.00038 0.00071
105 14D-2 0.00070 0.00068 0.00000 -0.00180 -0.00069
106 15F 0 0.00000 0.00000 0.00056 0.00000 0.00000
107 15F+1 0.00025 -0.00005 0.00000 -0.00072 0.00012
108 15F-1 0.00000 0.00154 0.00000 -0.00001 -0.00345
109 15F+2 0.00000 0.00000 0.00070 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00003 0.00000 0.00000
111 15F+3 0.00091 -0.00011 0.00000 -0.00270 0.00037
112 15F-3 0.00000 0.00186 0.00000 -0.00003 -0.00435
113 16F 0 0.00000 0.00000 0.00097 0.00000 0.00000
114 16F+1 0.00064 -0.00001 0.00000 -0.00095 0.00003
115 16F-1 -0.00022 0.00164 0.00000 0.00044 -0.00138
116 16F+2 0.00000 0.00000 0.00077 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00037 0.00000 0.00000
118 16F+3 0.00128 -0.00022 0.00000 -0.00087 0.00026
119 16F-3 0.00042 0.00200 0.00000 -0.00072 -0.00136
81 82 83 84 85
81 8PZ 0.32409
82 9PX 0.00000 0.07298
83 9PY 0.00000 0.00089 0.03133
84 9PZ 0.15069 0.00000 0.00000 0.07359
85 10PX 0.00000 0.09102 0.00195 0.00000 0.11992
86 10PY 0.00000 -0.00104 0.01869 0.00000 0.00062
87 10PZ 0.19553 0.00000 0.00000 0.09120 0.00000
88 11PX 0.00000 0.00488 0.00045 0.00000 0.00667
89 11PY 0.00000 0.00068 -0.00095 0.00000 0.00107
90 11PZ 0.01194 0.00000 0.00000 0.00553 0.00000
91 12D 0 0.00000 0.00016 -0.00360 0.00000 0.00018
92 12D+1 -0.00043 0.00000 0.00000 -0.00020 0.00000
93 12D-1 -0.00166 0.00000 0.00000 -0.00072 0.00000
94 12D+2 0.00000 -0.00007 -0.00621 0.00000 -0.00008
95 12D-2 0.00000 0.00005 -0.00047 0.00000 -0.00062
96 13D 0 0.00000 0.00041 -0.00415 0.00000 0.00035
97 13D+1 -0.00101 0.00000 0.00000 -0.00047 0.00000
98 13D-1 -0.00215 0.00000 0.00000 -0.00107 0.00000
99 13D+2 0.00000 0.00003 -0.00694 0.00000 -0.00023
100 13D-2 0.00000 -0.00027 -0.00067 0.00000 -0.00097
101 14D 0 0.00000 0.00125 0.00029 0.00000 0.00142
102 14D+1 -0.00218 0.00000 0.00000 -0.00102 0.00000
103 14D-1 -0.00543 0.00000 0.00000 -0.00254 0.00000
104 14D+2 0.00000 -0.00017 0.00046 0.00000 -0.00049
105 14D-2 0.00000 -0.00085 -0.00032 0.00000 -0.00096
106 15F 0 -0.00162 0.00000 0.00000 -0.00077 0.00000
107 15F+1 0.00000 -0.00034 0.00004 0.00000 -0.00036
108 15F-1 0.00000 -0.00001 -0.00159 0.00000 -0.00002
109 15F+2 -0.00206 0.00000 0.00000 -0.00098 0.00000
110 15F-2 -0.00004 0.00000 0.00000 -0.00002 0.00000
111 15F+3 0.00000 -0.00128 0.00011 0.00000 -0.00136
112 15F-3 0.00000 -0.00002 -0.00201 0.00000 -0.00001
113 16F 0 -0.00117 0.00000 0.00000 -0.00052 0.00000
114 16F+1 0.00000 -0.00043 0.00001 0.00000 -0.00059
115 16F-1 0.00000 0.00020 -0.00054 0.00000 0.00017
116 16F+2 -0.00037 0.00000 0.00000 -0.00013 0.00000
117 16F-2 -0.00084 0.00000 0.00000 -0.00039 0.00000
118 16F+3 0.00000 -0.00035 0.00011 0.00000 -0.00053
119 16F-3 0.00000 -0.00034 -0.00051 0.00000 -0.00052
86 87 88 89 90
86 10PY 0.01523
87 10PZ 0.00000 0.12082
88 11PX 0.00047 0.00000 0.00041
89 11PY -0.00034 0.00000 0.00007 0.00010
90 11PZ 0.00000 0.00784 0.00000 0.00000 0.00058
91 12D 0 -0.00229 0.00000 -0.00003 0.00015 0.00000
92 12D+1 0.00000 -0.00024 0.00000 0.00000 -0.00001
93 12D-1 0.00000 -0.00219 0.00000 0.00000 -0.00033
94 12D+2 -0.00387 0.00000 -0.00006 0.00026 0.00000
95 12D-2 -0.00093 0.00000 -0.00013 -0.00007 0.00000
96 13D 0 -0.00294 0.00000 -0.00006 0.00016 0.00000
97 13D+1 0.00000 -0.00058 0.00000 0.00000 -0.00003
98 13D-1 0.00000 -0.00264 0.00000 0.00000 -0.00038
99 13D+2 -0.00485 0.00000 -0.00012 0.00026 0.00000
100 13D-2 -0.00118 0.00000 -0.00017 -0.00008 0.00000
101 14D 0 -0.00013 0.00000 0.00005 -0.00004 0.00000
102 14D+1 0.00000 -0.00132 0.00000 0.00000 -0.00008
103 14D-1 0.00000 -0.00288 0.00000 0.00000 -0.00011
104 14D+2 -0.00015 0.00000 -0.00005 -0.00009 0.00000
105 14D-2 -0.00003 0.00000 -0.00004 0.00004 0.00000
106 15F 0 0.00000 -0.00063 0.00000 0.00000 0.00002
107 15F+1 0.00011 0.00000 -0.00001 0.00001 0.00000
108 15F-1 -0.00098 0.00000 -0.00002 0.00007 0.00000
109 15F+2 0.00000 -0.00079 0.00000 0.00000 0.00003
110 15F-2 0.00000 -0.00001 0.00000 0.00000 0.00000
111 15F+3 0.00038 0.00000 -0.00003 0.00003 0.00000
112 15F-3 -0.00122 0.00000 -0.00002 0.00009 0.00000
113 16F 0 0.00000 -0.00076 0.00000 0.00000 -0.00006
114 16F+1 0.00000 0.00000 -0.00003 -0.00001 0.00000
115 16F-1 -0.00049 0.00000 -0.00001 0.00002 0.00000
116 16F+2 0.00000 -0.00031 0.00000 0.00000 -0.00003
117 16F-2 0.00000 -0.00049 0.00000 0.00000 -0.00003
118 16F+3 0.00007 0.00000 -0.00003 -0.00001 0.00000
119 16F-3 -0.00047 0.00000 -0.00005 0.00001 0.00000
91 92 93 94 95
91 12D 0 0.00049
92 12D+1 0.00000 0.00000
93 12D-1 0.00000 -0.00001 0.00052
94 12D+2 0.00085 0.00000 0.00000 0.00146
95 12D-2 0.00004 0.00000 0.00000 0.00004 0.00029
96 13D 0 0.00058 0.00000 0.00000 0.00099 0.00013
97 13D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
98 13D-1 0.00000 -0.00001 0.00058 0.00000 0.00000
99 13D+2 0.00097 0.00000 0.00000 0.00166 0.00017
100 13D-2 0.00007 0.00000 0.00000 0.00008 0.00035
101 14D 0 -0.00005 0.00000 0.00000 -0.00010 0.00008
102 14D+1 0.00000 0.00000 0.00001 0.00000 0.00000
103 14D-1 0.00000 0.00001 -0.00014 0.00000 0.00000
104 14D+2 -0.00009 0.00000 0.00000 -0.00016 0.00010
105 14D-2 0.00006 0.00000 0.00000 0.00011 -0.00006
106 15F 0 0.00000 0.00000 -0.00014 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 -0.00004
108 15F-1 0.00022 0.00000 0.00000 0.00039 0.00002
109 15F+2 0.00000 0.00001 -0.00018 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 15F+3 -0.00001 0.00000 0.00000 0.00000 -0.00013
112 15F-3 0.00028 0.00000 0.00000 0.00049 0.00002
113 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00001 0.00001
115 16F-1 0.00008 0.00000 0.00000 0.00013 0.00005
116 16F+2 0.00000 0.00000 0.00004 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 -0.00003 0.00000
119 16F-3 0.00008 0.00000 0.00000 0.00013 0.00004
96 97 98 99 100
96 13D 0 0.00072
97 13D+1 0.00000 0.00000
98 13D-1 0.00000 -0.00001 0.00065
99 13D+2 0.00119 0.00000 0.00000 0.00198
100 13D-2 0.00017 0.00000 0.00000 0.00024 0.00043
101 14D 0 -0.00003 0.00000 0.00000 -0.00007 0.00009
102 14D+1 0.00000 0.00001 0.00002 0.00000 0.00000
103 14D-1 0.00000 0.00002 -0.00015 0.00000 0.00000
104 14D+2 -0.00008 0.00000 0.00000 -0.00013 0.00011
105 14D-2 0.00005 0.00000 0.00000 0.00010 -0.00006
106 15F 0 0.00000 0.00001 -0.00015 0.00000 0.00000
107 15F+1 -0.00001 0.00000 0.00000 -0.00002 -0.00004
108 15F-1 0.00027 0.00000 0.00000 0.00044 0.00003
109 15F+2 0.00000 0.00001 -0.00020 0.00000 0.00000
110 15F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 15F+3 -0.00005 0.00000 0.00000 -0.00005 -0.00016
112 15F-3 0.00033 0.00000 0.00000 0.00056 0.00003
113 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00001 0.00001
115 16F-1 0.00011 0.00000 0.00000 0.00018 0.00007
116 16F+2 0.00000 0.00000 0.00004 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00003 0.00000 0.00000 -0.00004 0.00000
119 16F-3 0.00010 0.00000 0.00000 0.00017 0.00006
101 102 103 104 105
101 14D 0 0.00006
102 14D+1 0.00000 0.00001
103 14D-1 0.00000 0.00004 0.00015
104 14D+2 0.00006 0.00000 0.00000 0.00010
105 14D-2 -0.00005 0.00000 0.00000 -0.00005 0.00004
106 15F 0 0.00000 0.00001 0.00008 0.00000 0.00000
107 15F+1 -0.00002 0.00000 0.00000 -0.00001 0.00001
108 15F-1 -0.00003 0.00000 0.00000 -0.00005 0.00003
109 15F+2 0.00000 0.00001 0.00010 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 -0.00006 0.00000 0.00000 -0.00004 0.00004
112 15F-3 -0.00004 0.00000 0.00000 -0.00007 0.00004
113 16F 0 0.00000 0.00001 0.00001 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00001 0.00000
115 16F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
116 16F+2 0.00000 0.00000 -0.00001 0.00000 0.00000
117 16F-2 0.00000 0.00001 0.00002 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00001 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00001
106 107 108 109 110
106 15F 0 0.00005
107 15F+1 0.00000 0.00001
108 15F-1 0.00000 0.00000 0.00010
109 15F+2 0.00007 0.00000 0.00000 0.00008
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00002 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00013 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 -0.00001 0.00004 0.00000 0.00000
116 16F+2 -0.00001 0.00000 0.00000 -0.00001 0.00000
117 16F-2 0.00001 0.00000 0.00000 0.00001 0.00000
118 16F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00004 0.00000 0.00000
111 112 113 114 115
111 15F+3 0.00008
112 15F-3 0.00000 0.00017
113 16F 0 0.00000 0.00000 0.00001
114 16F+1 0.00001 0.00000 0.00000 0.00000
115 16F-1 -0.00003 0.00005 0.00000 0.00000 0.00003
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00001 -0.00001 0.00000 0.00000 -0.00001
119 16F-3 -0.00001 0.00004 0.00000 0.00000 0.00002
116 117 118 119
116 16F+2 0.00000
117 16F-2 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00002
Full Mulliken population analysis:
1 2 3 4 5
1 1 O 1S 2.00068
2 2S -0.02519 0.56407
3 3S 0.01130 0.11783 0.04754
4 4S -0.02481 0.35781 0.06381 0.40890
5 5S -0.00150 0.03022 0.00459 0.05891 0.01901
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 H 1S -0.00027 0.01194 0.00122 -0.00713 -0.00374
48 2S 0.00008 -0.00134 -0.00055 -0.07434 -0.02267
49 3S 0.00116 -0.02214 -0.00342 -0.04677 -0.01585
50 4S 0.00002 -0.00029 -0.00005 -0.00039 -0.00013
51 5PX -0.00012 0.00300 0.00051 0.00028 -0.00005
52 5PY 0.00000 0.00007 0.00001 -0.00007 -0.00001
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX 0.00029 -0.00094 -0.00024 -0.00986 -0.00115
55 6PY 0.00003 -0.00025 -0.00009 -0.00110 -0.00011
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00029 -0.00428 -0.00069 -0.00391 -0.00059
58 7PY 0.00002 -0.00039 -0.00007 -0.00064 -0.00016
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 -0.00002 0.00009 0.00003 -0.00005 0.00000
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 -0.00006 0.00027 0.00008 -0.00010 0.00000
64 8D-2 -0.00001 0.00005 0.00001 -0.00004 0.00000
65 9D 0 0.00004 -0.00014 -0.00003 -0.00012 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00007 0.00018 0.00006 0.00005 -0.00001
69 9D-2 0.00002 -0.00005 -0.00003 -0.00024 -0.00002
70 3 Cl 1S 0.00000 0.00000 0.00000 -0.00004 0.00000
71 2S 0.00000 0.00003 0.00000 0.00110 0.00001
72 3S 0.00004 -0.00239 -0.00026 -0.01127 0.00203
73 4S 0.00000 -0.00013 0.00000 -0.00078 0.00018
74 5S 0.00039 -0.00948 -0.00134 -0.02253 0.00001
75 6S 0.00015 -0.00369 -0.00047 -0.00738 -0.00223
76 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
77 7PY 0.00000 -0.00005 0.00000 0.00019 0.00009
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
80 8PY -0.00023 0.00572 0.00035 -0.00129 -0.00179
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
83 9PY 0.00000 0.00057 0.00001 0.00038 -0.00020
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
86 10PY 0.00037 -0.00891 -0.00169 -0.01984 -0.00437
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00005 -0.00115 -0.00016 -0.00217 -0.00073
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00019 0.00001 0.00016 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00058 0.00003 0.00054 0.00001
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 -0.00005 0.00099 0.00013 0.00025 -0.00001
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 -0.00017 0.00313 0.00043 0.00115 -0.00003
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00004 -0.00074 -0.00013 -0.00096 -0.00006
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00010 -0.00219 -0.00038 -0.00257 -0.00027
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 -0.00001 0.00033 0.00004 0.00012 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 -0.00002 0.00057 0.00007 0.00022 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00002 -0.00012 -0.00004 -0.00023 -0.00001
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00001 -0.00010 -0.00003 -0.00025 -0.00001
6 7 8 9 10
6 6PX 0.19541
7 6PY 0.00000 0.12935
8 6PZ 0.00000 0.00000 0.26944
9 7PX 0.14216 0.00000 0.00000 0.28722
10 7PY 0.00000 0.10163 0.00000 0.00000 0.22195
11 7PZ 0.00000 0.00000 0.20576 0.00000 0.00000
12 8PX 0.02485 0.00000 0.00000 0.09592 0.00000
13 8PY 0.00000 0.02427 0.00000 0.00000 0.10128
14 8PZ 0.00000 0.00000 0.05257 0.00000 0.00000
15 9PX 0.00045 0.00000 0.00000 0.00238 0.00000
16 9PY 0.00000 0.00039 0.00000 0.00000 0.00218
17 9PZ 0.00000 0.00000 0.00128 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 H 1S 0.00965 0.00039 0.00000 0.04703 0.00186
48 2S 0.02302 0.00024 0.00000 0.09196 0.00081
49 3S 0.00175 -0.00011 0.00000 0.00851 -0.00060
50 4S 0.00000 0.00000 0.00000 -0.00002 -0.00002
51 5PX 0.00197 0.00015 0.00000 0.00438 0.00039
52 5PY 0.00019 0.00011 0.00000 0.00051 0.00072
53 5PZ 0.00000 0.00000 0.00034 0.00000 0.00000
54 6PX 0.00414 0.00012 0.00000 0.00862 0.00034
55 6PY 0.00066 0.00137 0.00000 0.00193 0.00600
56 6PZ 0.00000 0.00000 0.00274 0.00000 0.00000
57 7PX 0.00001 -0.00002 0.00000 0.00008 -0.00010
58 7PY 0.00002 0.00041 0.00000 0.00011 0.00218
59 7PZ 0.00000 0.00000 0.00072 0.00000 0.00000
60 8D 0 0.00034 0.00001 0.00000 0.00025 0.00001
61 8D+1 0.00000 0.00000 0.00063 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00003 0.00000 0.00000
63 8D+2 0.00075 0.00019 0.00000 0.00045 0.00035
64 8D-2 0.00027 0.00022 0.00000 0.00031 0.00070
65 9D 0 -0.00002 0.00000 0.00000 -0.00009 -0.00001
66 9D+1 0.00000 0.00000 0.00111 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00003 0.00000 0.00000
68 9D+2 -0.00003 0.00013 0.00000 -0.00013 0.00045
69 9D-2 0.00004 0.00066 0.00000 0.00006 0.00248
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 0.00000 0.00000 0.00000 -0.00011
72 3S 0.00000 0.00060 0.00000 0.00000 0.00492
73 4S 0.00000 0.00000 0.00000 0.00000 -0.00007
74 5S 0.00000 -0.00107 0.00000 0.00000 -0.00604
75 6S 0.00000 -0.00049 0.00000 0.00000 -0.00290
76 7PX 0.00000 0.00000 0.00000 0.00001 0.00000
77 7PY 0.00000 0.00000 0.00000 0.00000 -0.00082
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX -0.00035 0.00000 0.00000 -0.00241 0.00000
80 8PY 0.00000 0.01176 0.00000 0.00000 0.06300
81 8PZ 0.00000 0.00000 -0.00048 0.00000 0.00000
82 9PX -0.00001 0.00000 0.00000 -0.00021 0.00000
83 9PY 0.00000 0.00046 0.00000 0.00000 0.00959
84 9PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
85 10PX -0.00133 0.00000 0.00000 -0.00693 0.00000
86 10PY 0.00000 0.00291 0.00000 0.00000 0.01344
87 10PZ 0.00000 0.00000 -0.00209 0.00000 0.00000
88 11PX -0.00012 0.00000 0.00000 -0.00065 0.00000
89 11PY 0.00000 0.00001 0.00000 0.00000 0.00006
90 11PZ 0.00000 0.00000 -0.00021 0.00000 0.00000
91 12D 0 0.00000 0.00007 0.00000 0.00000 0.00080
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00003 0.00000 0.00000
94 12D+2 0.00000 0.00019 0.00000 0.00000 0.00236
95 12D-2 0.00002 0.00000 0.00000 0.00039 0.00000
96 13D 0 0.00000 0.00071 0.00000 0.00000 0.00258
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00088 0.00000 0.00000
99 13D+2 0.00000 0.00203 0.00000 0.00000 0.00732
100 13D-2 0.00059 0.00000 0.00000 0.00295 0.00000
101 14D 0 0.00000 -0.00001 0.00000 0.00000 -0.00003
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00035 0.00000 0.00000
104 14D+2 0.00000 -0.00003 0.00000 0.00000 -0.00009
105 14D-2 -0.00015 0.00000 0.00000 -0.00070 0.00000
106 15F 0 0.00000 0.00000 0.00006 0.00000 0.00000
107 15F+1 0.00001 0.00000 0.00000 0.00005 0.00000
108 15F-1 0.00000 0.00021 0.00000 0.00000 0.00076
109 15F+2 0.00000 0.00000 0.00010 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00010 0.00000 0.00000 0.00062 0.00000
112 15F-3 0.00000 0.00033 0.00000 0.00000 0.00122
113 16F 0 0.00000 0.00000 -0.00006 0.00000 0.00000
114 16F+1 -0.00001 0.00000 0.00000 -0.00003 0.00000
115 16F-1 0.00000 0.00017 0.00000 0.00000 0.00038
116 16F+2 0.00000 0.00000 -0.00011 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 -0.00002 0.00000 0.00000 -0.00006 0.00000
119 16F-3 0.00000 0.00019 0.00000 0.00000 0.00044
11 12 13 14 15
11 7PZ 0.43622
12 8PX 0.00000 0.07652
13 8PY 0.00000 0.00000 0.11090
14 8PZ 0.21303 0.00000 0.00000 0.24762
15 9PX 0.00000 0.00376 0.00000 0.00000 0.00057
16 9PY 0.00000 0.00000 0.00453 0.00000 0.00000
17 9PZ 0.00704 0.00000 0.00000 0.01646 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 H 1S 0.00000 0.02721 0.00153 0.00000 0.00097
48 2S 0.00000 0.07380 0.00087 0.00000 0.00372
49 3S 0.00000 0.01198 -0.00116 0.00000 0.00126
50 4S 0.00000 -0.00003 -0.00005 0.00000 -0.00001
51 5PX 0.00000 0.00022 0.00013 0.00000 -0.00003
52 5PY 0.00000 0.00011 0.00063 0.00000 0.00000
53 5PZ 0.00179 0.00000 0.00000 0.00154 0.00000
54 6PX 0.00000 -0.00128 0.00019 0.00000 -0.00033
55 6PY 0.00000 0.00078 0.00637 0.00000 0.00001
56 6PZ 0.01121 0.00000 0.00000 0.01236 0.00000
57 7PX 0.00000 -0.00002 -0.00015 0.00000 -0.00001
58 7PY 0.00000 0.00012 0.00412 0.00000 0.00001
59 7PZ 0.00370 0.00000 0.00000 0.00715 0.00000
60 8D 0 0.00000 -0.00006 0.00000 0.00000 0.00000
61 8D+1 0.00168 0.00000 0.00000 0.00061 0.00000
62 8D-1 0.00007 0.00000 0.00000 0.00003 0.00000
63 8D+2 0.00000 -0.00017 0.00008 0.00000 0.00000
64 8D-2 0.00000 0.00001 0.00026 0.00000 0.00000
65 9D 0 0.00000 -0.00008 -0.00001 0.00000 0.00000
66 9D+1 0.00401 0.00000 0.00000 0.00326 0.00000
67 9D-1 0.00012 0.00000 0.00000 0.00009 0.00000
68 9D+2 0.00000 -0.00013 0.00030 0.00000 -0.00001
69 9D-2 0.00000 -0.00005 0.00193 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 -0.00004 0.00000 0.00000
71 2S 0.00000 0.00000 0.00096 0.00000 0.00000
72 3S 0.00000 0.00000 -0.00238 0.00000 0.00000
73 4S 0.00000 0.00000 -0.00122 0.00000 0.00000
74 5S 0.00000 0.00000 -0.02174 0.00000 0.00000
75 6S 0.00000 0.00000 -0.00669 0.00000 0.00000
76 7PX 0.00000 0.00029 0.00000 0.00000 0.00006
77 7PY 0.00000 0.00000 -0.00232 0.00000 0.00000
78 7PZ 0.00001 0.00000 0.00000 0.00039 0.00000
79 8PX 0.00000 -0.00783 0.00000 0.00000 -0.00214
80 8PY 0.00000 0.00000 0.06568 0.00000 0.00000
81 8PZ -0.00338 0.00000 0.00000 -0.01546 0.00000
82 9PX 0.00000 -0.00131 0.00000 0.00000 -0.00034
83 9PY 0.00000 0.00000 0.01604 0.00000 0.00000
84 9PZ -0.00029 0.00000 0.00000 -0.00262 0.00000
85 10PX 0.00000 -0.01434 0.00000 0.00000 -0.00368
86 10PY 0.00000 0.00000 0.01476 0.00000 0.00000
87 10PZ -0.01127 0.00000 0.00000 -0.03185 0.00000
88 11PX 0.00000 -0.00135 0.00000 0.00000 -0.00039
89 11PY 0.00000 0.00000 0.00021 0.00000 0.00000
90 11PZ -0.00122 0.00000 0.00000 -0.00358 0.00000
91 12D 0 0.00000 0.00000 0.00040 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00065 0.00000 0.00000 0.00137 0.00000
94 12D+2 0.00000 0.00000 0.00117 0.00000 0.00000
95 12D-2 0.00000 0.00056 0.00000 0.00000 0.00001
96 13D 0 0.00000 0.00000 0.00085 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00460 0.00000 0.00000 0.00616 0.00000
99 13D+2 0.00000 0.00000 0.00243 0.00000 0.00000
100 13D-2 0.00000 0.00268 0.00000 0.00000 0.00008
101 14D 0 0.00000 0.00000 0.00003 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.00171 0.00000 0.00000 -0.00230 0.00000
104 14D+2 0.00000 0.00000 0.00007 0.00000 0.00000
105 14D-2 0.00000 -0.00069 0.00000 0.00000 -0.00002
106 15F 0 0.00042 0.00000 0.00000 0.00030 0.00000
107 15F+1 0.00000 0.00002 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00005 0.00000 0.00000
109 15F+2 0.00069 0.00000 0.00000 0.00051 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00031 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00008 0.00000 0.00000
113 16F 0 -0.00024 0.00000 0.00000 -0.00021 0.00000
114 16F+1 0.00000 -0.00002 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 -0.00006 0.00000 0.00000
116 16F+2 -0.00043 0.00000 0.00000 -0.00034 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 -0.00005 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 -0.00007 0.00000 0.00000
16 17 18 19 20
16 9PY 0.00058
17 9PZ 0.00000 0.00335
18 10D 0 0.00000 0.00000 0.00009
19 10D+1 0.00000 0.00000 0.00000 0.00005
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00002
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 0.00009 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00006 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00006
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 0.00001
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 H 1S 0.00010 0.00000 0.00011 0.00000 0.00000
48 2S 0.00028 0.00000 0.00009 0.00000 0.00000
49 3S 0.00002 0.00000 0.00000 0.00000 0.00000
50 4S -0.00001 0.00000 0.00000 0.00000 0.00000
51 5PX 0.00000 0.00000 0.00002 0.00000 0.00000
52 5PY 0.00002 0.00000 0.00000 0.00000 0.00000
53 5PZ 0.00000 0.00006 0.00000 0.00001 0.00000
54 6PX 0.00001 0.00000 0.00000 0.00000 0.00000
55 6PY 0.00022 0.00000 0.00000 0.00000 0.00000
56 6PZ 0.00000 0.00072 0.00000 0.00003 0.00000
57 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
58 7PY 0.00025 0.00000 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00093 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 0.00001 0.00000 0.00001 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00009 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
69 9D-2 0.00003 0.00000 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00006 0.00000 0.00000 0.00000 0.00000
72 3S 0.00092 0.00000 0.00001 0.00000 0.00000
73 4S 0.00003 0.00000 0.00000 0.00000 0.00000
74 5S -0.00101 0.00000 0.00000 0.00000 0.00000
75 6S -0.00099 0.00000 0.00000 0.00000 0.00000
76 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
77 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00014 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
80 8PY 0.00018 0.00000 0.00006 0.00000 0.00000
81 8PZ 0.00000 -0.00576 0.00000 0.00000 0.00005
82 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
83 9PY 0.00007 0.00000 0.00001 0.00000 0.00000
84 9PZ 0.00000 -0.00093 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
86 10PY -0.00026 0.00000 0.00000 0.00000 0.00000
87 10PZ 0.00000 -0.01031 0.00000 0.00000 0.00003
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00009 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 -0.00131 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00005 0.00000 0.00000 0.00000
94 12D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 -0.00003 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00027 0.00000 0.00000 0.00001
99 13D+2 -0.00008 0.00000 0.00001 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00001 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 -0.00003 0.00000 0.00000 0.00000
104 14D+2 0.00003 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 -0.00001 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 -0.00001 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
21 22 23 24 25
21 10D+2 0.00026
22 10D-2 0.00000 0.00005
23 11D 0 0.00000 0.00000 0.00046
24 11D+1 0.00000 0.00000 0.00000 0.00026
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00054
26 11D+2 0.00036 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00007 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00005 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00005 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00032
31 12D+2 0.00004 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00001 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 H 1S 0.00036 0.00003 0.00059 0.00000 0.00000
48 2S 0.00025 0.00002 0.00053 0.00000 0.00000
49 3S 0.00000 0.00000 0.00002 0.00000 0.00000
50 4S 0.00000 0.00000 0.00000 0.00000 0.00000
51 5PX 0.00007 0.00001 0.00003 0.00000 0.00000
52 5PY 0.00000 0.00000 0.00001 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 0.00009 -0.00002
54 6PX 0.00000 0.00000 -0.00003 0.00000 0.00000
55 6PY 0.00000 0.00002 -0.00001 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 0.00031 -0.00008
57 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
58 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 0.00004 -0.00001
60 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 0.00004 -0.00002
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00001
63 8D+2 0.00001 0.00001 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00001 -0.00002
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002
68 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
69 9D-2 0.00000 0.00000 -0.00002 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 0.00000 -0.00002 0.00000 0.00000
72 3S 0.00005 0.00000 0.00041 0.00000 0.00000
73 4S 0.00000 0.00000 0.00001 0.00000 0.00000
74 5S 0.00000 0.00000 0.00005 0.00000 0.00000
75 6S 0.00000 0.00000 -0.00001 0.00000 0.00000
76 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
77 7PY 0.00000 0.00000 -0.00003 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00002
79 8PX 0.00000 0.00006 0.00000 0.00000 0.00000
80 8PY 0.00018 0.00000 0.00099 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00147
82 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
83 9PY 0.00002 0.00000 0.00031 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00023
85 10PX 0.00000 0.00004 0.00000 0.00000 0.00000
86 10PY 0.00000 0.00000 0.00002 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00063
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00003 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00006
94 12D+2 0.00001 0.00000 0.00006 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00001 0.00000 0.00007 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00019
99 13D+2 0.00002 0.00000 0.00004 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00006
104 14D+2 0.00000 0.00000 0.00001 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00003
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00003 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00006
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00001 0.00000 0.00001 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00002 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 -0.00001 0.00000 0.00000
26 27 28 29 30
26 11D+2 0.00218
27 11D-2 0.00000 0.00069
28 12D 0 0.00000 0.00000 0.00018
29 12D+1 0.00000 0.00000 0.00000 0.00003
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00062
31 12D+2 0.00079 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00030 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 H 1S 0.00291 -0.00030 -0.00046 0.00000 0.00000
48 2S 0.00241 -0.00045 -0.00074 0.00000 0.00000
49 3S 0.00005 -0.00002 -0.00003 0.00000 0.00000
50 4S 0.00000 0.00000 0.00000 0.00000 0.00000
51 5PX 0.00011 -0.00002 0.00002 0.00000 0.00000
52 5PY -0.00004 0.00008 0.00000 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 0.00002 -0.00002
54 6PX -0.00024 -0.00005 0.00012 0.00000 0.00000
55 6PY -0.00013 0.00038 -0.00001 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 0.00014 -0.00014
57 7PX 0.00002 0.00000 -0.00001 0.00000 0.00000
58 7PY -0.00002 0.00002 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 0.00004 -0.00004
60 8D 0 -0.00002 0.00000 -0.00001 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00001
63 8D+2 -0.00002 -0.00001 0.00001 0.00000 0.00000
64 8D-2 -0.00001 0.00004 0.00000 0.00000 0.00000
65 9D 0 -0.00001 0.00000 -0.00002 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 -0.00001 -0.00003
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00003
68 9D+2 0.00001 0.00001 0.00001 0.00000 0.00000
69 9D-2 -0.00002 0.00001 -0.00001 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S -0.00009 0.00000 -0.00003 0.00000 0.00000
72 3S 0.00146 0.00000 0.00050 0.00000 0.00000
73 4S 0.00006 0.00000 0.00004 0.00000 0.00000
74 5S 0.00000 0.00000 -0.00006 0.00000 0.00000
75 6S -0.00008 0.00000 -0.00006 0.00000 0.00000
76 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000
77 7PY -0.00015 0.00000 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001
79 8PX 0.00000 0.00163 0.00000 0.00000 0.00000
80 8PY 0.00379 0.00000 0.00046 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00134
82 9PX 0.00000 0.00025 0.00000 0.00000 0.00000
83 9PY 0.00124 0.00000 0.00022 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00031
85 10PX 0.00000 0.00079 0.00000 0.00000 0.00000
86 10PY 0.00008 0.00000 -0.00004 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00005
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00001 0.00000 0.00001 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00005
91 12D 0 0.00008 0.00000 0.00002 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00012
94 12D+2 0.00028 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00005 0.00000 0.00000 0.00000
96 13D 0 0.00005 0.00000 0.00005 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00034
99 13D+2 0.00030 0.00000 -0.00006 0.00000 0.00000
100 13D-2 0.00000 0.00016 0.00000 0.00000 0.00000
101 14D 0 0.00002 0.00000 -0.00003 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00009
104 14D+2 0.00000 0.00000 0.00003 0.00000 0.00000
105 14D-2 0.00000 -0.00002 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00002
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00003 0.00000 0.00001 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00003
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00007 0.00000 0.00000 0.00000
112 15F-3 0.00010 0.00000 -0.00001 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 -0.00001 0.00000 0.00001 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00001 0.00000 0.00000 0.00000
119 16F-3 0.00002 0.00000 -0.00001 0.00000 0.00000
31 32 33 34 35
31 12D+2 0.00128
32 12D-2 0.00000 0.00047
33 13F 0 0.00000 0.00000 0.00003
34 13F+1 0.00000 0.00000 0.00000 0.00002
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00003
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 0.00002 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00001 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00002
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 H 1S 0.00043 -0.00045 0.00000 0.00014 0.00001
48 2S 0.00014 -0.00099 0.00000 0.00004 0.00000
49 3S -0.00016 -0.00008 0.00000 0.00000 0.00000
50 4S 0.00000 0.00000 0.00000 0.00000 0.00000
51 5PX -0.00003 0.00000 0.00000 0.00001 0.00000
52 5PY -0.00004 0.00005 0.00000 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00001 0.00000 0.00000
54 6PX -0.00006 0.00002 0.00000 -0.00001 0.00000
55 6PY -0.00023 0.00035 0.00000 0.00000 0.00001
56 6PZ 0.00000 0.00000 0.00002 0.00000 0.00000
57 7PX 0.00007 0.00000 0.00000 0.00000 0.00000
58 7PY -0.00006 0.00004 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
65 9D 0 -0.00001 0.00001 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00004 0.00000 0.00000 0.00000 0.00000
69 9D-2 -0.00001 -0.00002 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00002 0.00000 0.00000 0.00000 0.00000
72 3S 0.00106 0.00000 0.00000 0.00000 0.00002
73 4S -0.00001 0.00000 0.00000 0.00000 0.00000
74 5S -0.00090 0.00000 0.00000 0.00000 0.00000
75 6S -0.00023 0.00000 0.00000 0.00000 0.00000
76 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000
77 7PY -0.00008 0.00000 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00230 0.00000 0.00000 0.00000
80 8PY 0.00299 0.00000 0.00000 0.00000 0.00009
81 8PZ 0.00000 0.00000 0.00001 0.00000 0.00000
82 9PX 0.00000 0.00052 0.00000 0.00000 0.00000
83 9PY 0.00133 0.00000 0.00000 0.00000 0.00004
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00105 0.00000 0.00000 0.00000
86 10PY -0.00038 0.00000 0.00000 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 -0.00001 0.00000 0.00000 0.00000
89 11PY 0.00003 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00007 0.00000 0.00000 0.00000 0.00001
95 12D-2 0.00000 0.00007 0.00000 0.00000 0.00000
96 13D 0 -0.00014 0.00000 0.00000 0.00000 0.00001
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00001 0.00000 0.00000
99 13D+2 0.00006 0.00000 0.00000 0.00000 0.00000
100 13D-2 0.00000 0.00023 0.00000 0.00000 0.00000
101 14D 0 0.00002 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 -0.00004 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 -0.00002 0.00000 0.00000 0.00000 0.00001
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00003 0.00000 0.00000 0.00000
112 15F-3 0.00002 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 -0.00003 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00002 0.00000 0.00000 0.00000 0.00000
36 37 38 39 40
36 13F+2 0.00000
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 0.00002
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00007
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 0.00002 0.00000
47 2 H 1S 0.00000 0.00000 0.00002 0.00004 0.00000
48 2S 0.00000 0.00000 0.00001 0.00001 0.00000
49 3S 0.00000 0.00000 0.00000 0.00000 0.00000
50 4S 0.00000 0.00000 0.00000 0.00000 0.00000
51 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
52 5PY 0.00000 0.00000 0.00000 -0.00001 0.00000
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00004
54 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
55 6PY 0.00000 0.00000 0.00000 -0.00001 0.00000
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00008
57 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
58 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
69 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 0.00000 0.00000 0.00000 0.00000
72 3S 0.00000 0.00000 0.00000 0.00003 0.00000
73 4S 0.00000 0.00000 0.00000 0.00000 0.00000
74 5S 0.00000 0.00000 0.00000 0.00000 0.00000
75 6S 0.00000 0.00000 0.00000 0.00000 0.00000
76 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
77 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00007 0.00000 0.00000
80 8PY 0.00000 0.00000 0.00000 0.00008 0.00000
81 8PZ 0.00004 0.00000 0.00000 0.00000 0.00016
82 9PX 0.00000 0.00000 0.00001 0.00000 0.00000
83 9PY 0.00000 0.00000 0.00000 0.00003 0.00000
84 9PZ 0.00001 0.00000 0.00000 0.00000 0.00005
85 10PX 0.00000 0.00000 0.00002 0.00000 0.00000
86 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
87 10PZ 0.00001 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00004
94 12D+2 0.00000 0.00000 0.00000 0.00001 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00005
99 13D+2 0.00000 0.00000 0.00000 0.00001 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00001
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00001
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00001 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
41 42 43 44 45
41 14F+1 0.00001
42 14F-1 0.00000 0.00005
43 14F+2 0.00000 0.00000 0.00009
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00009
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 H 1S 0.00022 0.00003 0.00000 0.00000 -0.00031
48 2S 0.00012 0.00001 0.00000 0.00000 -0.00022
49 3S 0.00000 0.00000 0.00000 0.00000 0.00000
50 4S 0.00000 0.00000 0.00000 0.00000 0.00000
51 5PX -0.00001 0.00000 0.00000 0.00000 0.00001
52 5PY 0.00000 0.00001 0.00000 0.00000 -0.00003
53 5PZ 0.00000 0.00000 -0.00005 0.00000 0.00000
54 6PX -0.00003 0.00000 0.00000 0.00000 0.00008
55 6PY 0.00000 0.00002 0.00000 0.00000 -0.00007
56 6PZ 0.00000 0.00000 -0.00011 0.00000 0.00000
57 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
58 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
60 8D 0 0.00001 0.00000 0.00000 0.00000 0.00001
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 -0.00001
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001
69 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 -0.00004 0.00000 0.00000 0.00000
72 3S 0.00000 0.00021 0.00000 0.00000 0.00000
73 4S 0.00000 0.00001 0.00000 0.00000 0.00000
74 5S 0.00000 0.00000 0.00000 0.00000 0.00000
75 6S 0.00000 0.00000 0.00000 0.00000 0.00000
76 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002
77 7PY 0.00000 -0.00003 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00004 0.00000 0.00000 0.00000 0.00049
80 8PY 0.00000 0.00028 0.00000 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00026 0.00000 0.00000
82 9PX 0.00001 0.00000 0.00000 0.00000 0.00014
83 9PY 0.00000 0.00022 0.00000 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00008 0.00000 0.00000
85 10PX 0.00001 0.00000 0.00000 0.00000 0.00009
86 10PY 0.00000 -0.00002 0.00000 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00001 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00002 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00005 0.00000 0.00000
94 12D+2 0.00000 0.00002 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00004
96 13D 0 0.00000 0.00004 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00008 0.00000 0.00000
99 13D+2 0.00000 -0.00002 0.00000 0.00000 0.00000
100 13D-2 0.00001 0.00000 0.00000 0.00000 0.00007
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00001 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00002 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00002 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00003
112 15F-3 0.00000 -0.00001 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00001 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
46 47 48 49 50
46 14F-3 0.00012
47 2 H 1S -0.00019 0.06851
48 2S -0.00013 0.07715 0.19230
49 3S 0.00000 0.00651 0.03315 0.01896
50 4S 0.00000 -0.00015 -0.00047 0.00018 0.00010
51 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
52 5PY -0.00002 0.00000 0.00000 0.00000 0.00000
53 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 6PX 0.00002 0.00000 0.00000 0.00000 0.00000
55 6PY -0.00005 0.00000 0.00000 0.00000 0.00000
56 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
57 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
58 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
59 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
69 9D-2 0.00002 0.00000 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S -0.00010 0.00000 0.00001 0.00006 -0.00005
72 3S 0.00035 -0.00004 -0.00034 -0.00033 0.00077
73 4S 0.00002 0.00000 -0.00002 -0.00003 0.00004
74 5S -0.00001 0.00035 0.00273 0.00029 0.00042
75 6S -0.00001 0.00095 0.00426 0.00114 -0.00042
76 7PX 0.00000 0.00000 0.00001 0.00011 0.00000
77 7PY -0.00012 0.00000 0.00003 0.00002 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 -0.00023 -0.00268 -0.00562 -0.00006
80 8PY 0.00047 -0.00031 -0.00094 0.00234 0.00023
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 -0.00028 -0.00090 -0.00001
83 9PY 0.00035 0.00000 -0.00018 0.00034 0.00003
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00000 -0.00171 -0.00855 -0.00939 -0.00010
86 10PY -0.00002 0.00014 0.00436 0.00424 0.00019
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 -0.00021 -0.00105 -0.00087 -0.00001
89 11PY 0.00000 0.00027 0.00128 0.00060 -0.00004
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00001 0.00000 -0.00002 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00007 0.00000 -0.00005 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00020 0.00005 0.00000
96 13D 0 -0.00003 0.00001 0.00010 0.00005 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00005 0.00000 0.00007 0.00008 0.00000
100 13D-2 0.00000 0.00029 0.00161 0.00032 0.00000
101 14D 0 0.00001 0.00015 0.00057 0.00006 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 -0.00001 0.00021 0.00086 0.00022 0.00000
105 14D-2 0.00000 -0.00018 -0.00063 -0.00005 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00002 0.00000 0.00000
108 15F-1 -0.00001 0.00000 -0.00001 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00002 0.00019 0.00001 0.00000
112 15F-3 0.00003 0.00000 -0.00001 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 -0.00001 -0.00002 -0.00001 0.00000
115 16F-1 0.00000 0.00003 0.00014 0.00002 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 -0.00001 -0.00004 -0.00001 0.00000
119 16F-3 0.00001 0.00001 0.00004 0.00001 0.00000
51 52 53 54 55
51 5PX 0.00089
52 5PY 0.00000 0.00017
53 5PZ 0.00000 0.00000 0.00023
54 6PX 0.00111 0.00000 0.00000 0.00500
55 6PY 0.00000 0.00035 0.00000 0.00000 0.00191
56 6PZ 0.00000 0.00000 0.00042 0.00000 0.00000
57 7PX -0.00006 0.00000 0.00000 -0.00016 0.00000
58 7PY 0.00000 0.00003 0.00000 0.00000 0.00040
59 7PZ 0.00000 0.00000 0.00006 0.00000 0.00000
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
69 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 0.00000 0.00000 0.00000 -0.00002
72 3S -0.00001 0.00000 0.00000 -0.00008 0.00027
73 4S 0.00000 0.00000 0.00000 0.00000 -0.00001
74 5S 0.00000 -0.00003 0.00000 0.00025 -0.00029
75 6S 0.00001 -0.00002 0.00000 0.00020 -0.00024
76 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001
77 7PY 0.00000 0.00000 0.00000 0.00001 -0.00006
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX -0.00001 0.00001 0.00000 -0.00004 0.00035
80 8PY -0.00003 0.00016 0.00000 -0.00026 0.00311
81 8PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00000 -0.00001 0.00004
83 9PY 0.00000 0.00000 0.00000 -0.00005 0.00037
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00001 0.00000 0.00000 0.00031 0.00008
86 10PY -0.00001 0.00013 0.00000 0.00032 0.00145
87 10PZ 0.00000 0.00000 -0.00006 0.00000 0.00000
88 11PX 0.00001 0.00000 0.00000 0.00009 -0.00002
89 11PY 0.00000 0.00000 0.00000 0.00004 0.00000
90 11PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00003
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00000 -0.00002 0.00004
95 12D-2 0.00000 0.00000 0.00000 0.00002 0.00004
96 13D 0 0.00000 0.00002 0.00000 0.00000 0.00018
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00001 0.00000 0.00000
99 13D+2 0.00000 0.00003 0.00000 -0.00001 0.00021
100 13D-2 0.00001 0.00002 0.00000 0.00004 0.00021
101 14D 0 0.00000 0.00000 0.00000 0.00002 0.00001
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
104 14D+2 0.00001 0.00000 0.00000 0.00016 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00004 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00003
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00002 0.00003
112 15F-3 0.00000 0.00000 0.00000 -0.00001 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00001 0.00000 0.00001 0.00003
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00001
119 16F-3 0.00000 0.00000 0.00000 0.00003 -0.00002
56 57 58 59 60
56 6PZ 0.00196
57 7PX 0.00000 0.00032
58 7PY 0.00000 0.00000 0.00047
59 7PZ 0.00056 0.00000 0.00000 0.00046
60 8D 0 0.00000 0.00000 0.00000 0.00000 0.00004
61 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
62 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
64 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
66 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
69 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 0.00004 0.00011 0.00000 0.00000
72 3S 0.00000 -0.00026 -0.00116 0.00000 0.00000
73 4S 0.00000 -0.00001 -0.00014 0.00000 0.00000
74 5S 0.00000 -0.00032 -0.00204 0.00000 0.00001
75 6S 0.00000 -0.00004 -0.00046 0.00000 0.00000
76 7PX 0.00000 -0.00001 0.00002 0.00000 0.00000
77 7PY 0.00000 0.00001 -0.00006 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000
79 8PX 0.00000 0.00057 -0.00130 0.00000 0.00000
80 8PY 0.00000 0.00033 0.00165 0.00000 -0.00001
81 8PZ -0.00010 0.00000 0.00000 -0.00059 0.00000
82 9PX 0.00000 0.00008 -0.00024 0.00000 0.00000
83 9PY 0.00000 0.00007 0.00033 0.00000 0.00000
84 9PZ -0.00001 0.00000 0.00000 -0.00009 0.00000
85 10PX 0.00000 0.00110 -0.00146 0.00000 0.00000
86 10PY 0.00000 0.00029 0.00063 0.00000 0.00000
87 10PZ -0.00067 0.00000 0.00000 -0.00146 0.00000
88 11PX 0.00000 0.00009 -0.00007 0.00000 0.00000
89 11PY 0.00000 0.00001 0.00000 0.00000 0.00000
90 11PZ -0.00012 0.00000 0.00000 -0.00024 0.00000
91 12D 0 0.00000 0.00000 0.00001 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00002 0.00000 0.00000 0.00002 0.00000
94 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00002 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00018 0.00000 0.00000 0.00013 0.00000
99 13D+2 0.00000 0.00001 -0.00004 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00002 0.00000 0.00001
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 -0.00001 0.00000
103 14D-1 -0.00012 0.00000 0.00000 -0.00007 0.00000
104 14D+2 0.00000 0.00003 -0.00001 0.00000 0.00000
105 14D-2 0.00000 -0.00001 0.00001 0.00000 0.00000
106 15F 0 0.00001 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00001 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 -0.00001 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 -0.00001 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 -0.00001 0.00000 0.00000
61 62 63 64 65
61 8D+1 0.00006
62 8D-1 0.00000 0.00000
63 8D+2 0.00000 0.00000 0.00010
64 8D-2 0.00000 0.00000 0.00000 0.00005
65 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001
66 9D+1 0.00004 0.00000 0.00000 0.00000 0.00000
67 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
68 9D+2 0.00000 0.00000 0.00002 0.00000 0.00000
69 9D-2 0.00000 0.00000 0.00000 0.00003 0.00000
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000
71 2S 0.00000 0.00000 0.00000 0.00000 0.00000
72 3S 0.00000 0.00000 0.00001 0.00001 -0.00006
73 4S 0.00000 0.00000 0.00000 0.00000 0.00000
74 5S 0.00000 0.00000 -0.00001 -0.00001 0.00000
75 6S 0.00000 0.00000 0.00000 0.00000 0.00001
76 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
77 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00003 0.00000 0.00014
80 8PY 0.00000 0.00000 0.00005 0.00012 -0.00007
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00000 0.00000 0.00004
83 9PY 0.00000 0.00000 0.00000 0.00001 -0.00002
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00004 0.00000 0.00003
86 10PY 0.00000 0.00000 0.00000 0.00004 0.00000
87 10PZ -0.00001 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00000 0.00001 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00001 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00000 0.00002 0.00000
100 13D-2 0.00000 0.00000 -0.00002 0.00001 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00001
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
66 67 68 69 70
66 9D+1 0.00014
67 9D-1 0.00000 0.00001
68 9D+2 0.00000 0.00000 0.00004
69 9D-2 0.00000 0.00000 0.00000 0.00015
70 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 2.17055
71 2S 0.00000 0.00000 0.00001 -0.00005 -0.16393
72 3S 0.00000 0.00000 -0.00012 0.00034 -0.00443
73 4S 0.00000 0.00000 -0.00002 0.00000 -0.00476
74 5S 0.00000 0.00000 -0.00018 -0.00002 0.00260
75 6S 0.00000 0.00000 -0.00002 -0.00005 0.00002
76 7PX 0.00000 0.00000 -0.00002 0.00000 0.00000
77 7PY 0.00000 0.00000 -0.00001 -0.00008 0.00000
78 7PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00057 0.00001 0.00000
80 8PY 0.00000 0.00000 0.00024 0.00137 0.00000
81 8PZ 0.00003 0.00023 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00011 -0.00001 0.00000
83 9PY 0.00000 0.00000 0.00008 0.00030 0.00000
84 9PZ 0.00000 0.00004 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00039 0.00015 0.00000
86 10PY 0.00000 0.00000 -0.00004 0.00030 0.00000
87 10PZ -0.00010 0.00018 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00001 0.00001 0.00000
89 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
90 11PZ -0.00001 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00001 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00002 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 -0.00001 0.00004 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00001 0.00001 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00007 0.00001 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 -0.00005 0.00016 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 -0.00003 -0.00001 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00001 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00001 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 -0.00001 0.00002 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 -0.00001 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00002 0.00000
71 72 73 74 75
71 2S 2.11132
72 3S -0.06052 0.76183
73 4S 0.08045 0.06341 0.02419
74 5S -0.06479 0.41465 0.03575 0.33004
75 6S -0.00054 -0.00034 0.00020 0.00942 0.00663
76 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
77 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
78 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
79 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
80 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
81 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
82 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
83 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
84 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
85 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
86 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
87 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
88 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
89 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
90 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
76 77 78 79 80
76 7PX 2.03420
77 7PY 0.00000 1.95175
78 7PZ 0.00000 0.00000 2.03522
79 8PX -0.04792 0.00000 0.00000 0.64066
80 8PY 0.00000 -0.02371 0.00000 0.00000 0.26363
81 8PZ 0.00000 0.00000 -0.04822 0.00000 0.00000
82 9PX -0.01270 0.00000 0.00000 0.22046 0.00000
83 9PY 0.00000 0.02849 0.00000 0.00000 0.08762
84 9PZ 0.00000 0.00000 -0.01332 0.00000 0.00000
85 10PX -0.01010 0.00000 0.00000 0.27618 0.00000
86 10PY 0.00000 -0.00284 0.00000 0.00000 0.05978
87 10PZ 0.00000 0.00000 -0.01008 0.00000 0.00000
88 11PX -0.00015 0.00000 0.00000 0.00580 0.00000
89 11PY 0.00000 0.00001 0.00000 0.00000 -0.00107
90 11PZ 0.00000 0.00000 -0.00018 0.00000 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
81 82 83 84 85
81 8PZ 0.64817
82 9PX 0.00000 0.14596
83 9PY 0.00000 0.00000 0.06266
84 9PZ 0.22279 0.00000 0.00000 0.14718
85 10PX 0.00000 0.05803 0.00000 0.00000 0.23984
86 10PY 0.00000 0.00000 0.01192 0.00000 0.00000
87 10PZ 0.27715 0.00000 0.00000 0.05815 0.00000
88 11PX 0.00000 0.00092 0.00000 0.00000 0.00911
89 11PY 0.00000 0.00000 -0.00018 0.00000 0.00000
90 11PZ 0.00659 0.00000 0.00000 0.00104 0.00000
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 87 88 89 90
86 10PY 0.03045
87 10PZ 0.00000 0.24163
88 11PX 0.00000 0.00000 0.00082
89 11PY -0.00046 0.00000 0.00000 0.00019
90 11PZ 0.00000 0.01071 0.00000 0.00000 0.00117
91 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
92 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
94 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
91 92 93 94 95
91 12D 0 0.00098
92 12D+1 0.00000 0.00000
93 12D-1 0.00000 0.00000 0.00103
94 12D+2 0.00000 0.00000 0.00000 0.00293
95 12D-2 0.00000 0.00000 0.00000 0.00000 0.00059
96 13D 0 0.00070 0.00000 0.00000 0.00000 0.00000
97 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
98 13D-1 0.00000 0.00000 0.00069 0.00000 0.00000
99 13D+2 0.00000 0.00000 0.00000 0.00199 0.00000
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00042
101 14D 0 -0.00002 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00006 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 -0.00007 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 -0.00002
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
96 97 98 99 100
96 13D 0 0.00144
97 13D+1 0.00000 0.00001
98 13D-1 0.00000 0.00000 0.00131
99 13D+2 0.00000 0.00000 0.00000 0.00395
100 13D-2 0.00000 0.00000 0.00000 0.00000 0.00086
101 14D 0 -0.00004 0.00000 0.00000 0.00000 0.00000
102 14D+1 0.00000 0.00001 0.00000 0.00000 0.00000
103 14D-1 0.00000 0.00000 -0.00021 0.00000 0.00000
104 14D+2 0.00000 0.00000 0.00000 -0.00018 0.00000
105 14D-2 0.00000 0.00000 0.00000 0.00000 -0.00008
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
101 102 103 104 105
101 14D 0 0.00012
102 14D+1 0.00000 0.00003
103 14D-1 0.00000 0.00000 0.00029
104 14D+2 0.00000 0.00000 0.00000 0.00021
105 14D-2 0.00000 0.00000 0.00000 0.00000 0.00007
106 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
106 107 108 109 110
106 15F 0 0.00010
107 15F+1 0.00000 0.00001
108 15F-1 0.00000 0.00000 0.00021
109 15F+2 0.00000 0.00000 0.00000 0.00017
110 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
112 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
113 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 16F-1 0.00000 0.00000 0.00005 0.00000 0.00000
116 16F+2 0.00000 0.00000 0.00000 -0.00002 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
111 112 113 114 115
111 15F+3 0.00017
112 15F-3 0.00000 0.00033
113 16F 0 0.00000 0.00000 0.00001
114 16F+1 0.00000 0.00000 0.00000 0.00001
115 16F-1 0.00000 0.00000 0.00000 0.00000 0.00005
116 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
117 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
118 16F+3 0.00001 0.00000 0.00000 0.00000 0.00000
119 16F-3 0.00000 0.00006 0.00000 0.00000 0.00000
116 117 118 119
116 16F+2 0.00001
117 16F-2 0.00000 0.00000
118 16F+3 0.00000 0.00000 0.00001
119 16F-3 0.00000 0.00000 0.00000 0.00005
Gross orbital populations:
Total Alpha Beta Spin
1 1 O 1S 1.96271 0.98135 0.98135 0.00000
2 2S 1.01366 0.50683 0.50683 0.00000
3 3S 0.23839 0.11920 0.11920 0.00000
4 4S 0.65496 0.32748 0.32748 0.00000
5 5S 0.05939 0.02969 0.02969 0.00000
6 6PX 0.40439 0.20219 0.20219 0.00000
7 6PY 0.27754 0.13877 0.13877 0.00000
8 6PZ 0.53243 0.26621 0.26621 0.00000
9 7PX 0.68469 0.34234 0.34234 0.00000
10 7PY 0.53941 0.26971 0.26971 0.00000
11 7PZ 0.87247 0.43624 0.43624 0.00000
12 8PX 0.29174 0.14587 0.14587 0.00000
13 8PY 0.32422 0.16211 0.16211 0.00000
14 8PZ 0.50709 0.25354 0.25354 0.00000
15 9PX 0.00633 0.00316 0.00316 0.00000
16 9PY 0.00759 0.00379 0.00379 0.00000
17 9PZ 0.01205 0.00603 0.00603 0.00000
18 10D 0 0.00052 0.00026 0.00026 0.00000
19 10D+1 0.00018 0.00009 0.00009 0.00000
20 10D-1 0.00018 0.00009 0.00009 0.00000
21 10D+2 0.00166 0.00083 0.00083 0.00000
22 10D-2 0.00033 0.00017 0.00017 0.00000
23 11D 0 0.00370 0.00185 0.00185 0.00000
24 11D+1 0.00087 0.00044 0.00044 0.00000
25 11D-1 0.00337 0.00168 0.00168 0.00000
26 11D+2 0.01550 0.00775 0.00775 0.00000
27 11D-2 0.00368 0.00184 0.00184 0.00000
28 12D 0 0.00013 0.00007 0.00007 0.00000
29 12D+1 0.00028 0.00014 0.00014 0.00000
30 12D-1 0.00281 0.00141 0.00141 0.00000
31 12D+2 0.00600 0.00300 0.00300 0.00000
32 12D-2 0.00383 0.00192 0.00192 0.00000
33 13F 0 0.00012 0.00006 0.00006 0.00000
34 13F+1 0.00022 0.00011 0.00011 0.00000
35 13F-1 0.00026 0.00013 0.00013 0.00000
36 13F+2 0.00007 0.00003 0.00003 0.00000
37 13F-2 0.00001 0.00000 0.00000 0.00000
38 13F+3 0.00014 0.00007 0.00007 0.00000
39 13F-3 0.00023 0.00011 0.00011 0.00000
40 14F 0 0.00052 0.00026 0.00026 0.00000
41 14F+1 0.00039 0.00020 0.00020 0.00000
42 14F-1 0.00085 0.00042 0.00042 0.00000
43 14F+2 0.00044 0.00022 0.00022 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00040 0.00020 0.00020 0.00000
46 14F-3 0.00083 0.00041 0.00041 0.00000
47 2 H 1S 0.24564 0.12282 0.12282 0.00000
48 2S 0.40076 0.20038 0.20038 0.00000
49 3S -0.01407 -0.00704 -0.00704 0.00000
50 4S -0.00032 -0.00016 -0.00016 0.00000
51 5PX 0.01304 0.00652 0.00652 0.00000
52 5PY 0.00320 0.00160 0.00160 0.00000
53 5PZ 0.00444 0.00222 0.00222 0.00000
54 6PX 0.00677 0.00338 0.00338 0.00000
55 6PY 0.02455 0.01228 0.01228 0.00000
56 6PZ 0.02941 0.01470 0.01470 0.00000
57 7PX -0.00723 -0.00361 -0.00361 0.00000
58 7PY 0.00266 0.00133 0.00133 0.00000
59 7PZ 0.01133 0.00567 0.00567 0.00000
60 8D 0 0.00063 0.00032 0.00032 0.00000
61 8D+1 0.00305 0.00152 0.00152 0.00000
62 8D-1 0.00016 0.00008 0.00008 0.00000
63 8D+2 0.00205 0.00102 0.00102 0.00000
64 8D-2 0.00208 0.00104 0.00104 0.00000
65 9D 0 -0.00043 -0.00022 -0.00022 0.00000
66 9D+1 0.00860 0.00430 0.00430 0.00000
67 9D-1 0.00075 0.00037 0.00037 0.00000
68 9D+2 0.00204 0.00102 0.00102 0.00000
69 9D-2 0.00750 0.00375 0.00375 0.00000
70 3 Cl 1S 1.99998 0.99999 0.99999 0.00000
71 2S 1.90393 0.95196 0.95196 0.00000
72 3S 1.16990 0.58495 0.58495 0.00000
73 4S 0.19718 0.09859 0.09859 0.00000
74 5S 0.66510 0.33255 0.33255 0.00000
75 6S -0.00439 -0.00219 -0.00219 0.00000
76 7PX 1.96376 0.98188 0.98188 0.00000
77 7PY 1.95021 0.97511 0.97511 0.00000
78 7PZ 1.96395 0.98197 0.98197 0.00000
79 8PX 1.07879 0.53939 0.53939 0.00000
80 8PY 0.54699 0.27349 0.27349 0.00000
81 8PZ 1.08428 0.54214 0.54214 0.00000
82 9PX 0.41055 0.20528 0.20528 0.00000
83 9PY 0.22246 0.11123 0.11123 0.00000
84 9PZ 0.41261 0.20631 0.20631 0.00000
85 10PX 0.52969 0.26484 0.26484 0.00000
86 10PY 0.10693 0.05347 0.05347 0.00000
87 10PZ 0.52062 0.26031 0.26031 0.00000
88 11PX 0.01196 0.00598 0.00598 0.00000
89 11PY -0.00305 -0.00153 -0.00153 0.00000
90 11PZ 0.01259 0.00629 0.00629 0.00000
91 12D 0 0.00346 0.00173 0.00173 0.00000
92 12D+1 0.00001 0.00000 0.00000 0.00000
93 12D-1 0.00410 0.00205 0.00205 0.00000
94 12D+2 0.01027 0.00514 0.00514 0.00000
95 12D-2 0.00246 0.00123 0.00123 0.00000
96 13D 0 0.00798 0.00399 0.00399 0.00000
97 13D+1 0.00002 0.00001 0.00001 0.00000
98 13D-1 0.01480 0.00740 0.00740 0.00000
99 13D+2 0.02285 0.01143 0.01143 0.00000
100 13D-2 0.01047 0.00524 0.00524 0.00000
101 14D 0 -0.00096 -0.00048 -0.00048 0.00000
102 14D+1 0.00003 0.00001 0.00001 0.00000
103 14D-1 -0.00477 -0.00238 -0.00238 0.00000
104 14D+2 -0.00385 -0.00192 -0.00192 0.00000
105 14D-2 -0.00248 -0.00124 -0.00124 0.00000
106 15F 0 0.00099 0.00049 0.00049 0.00000
107 15F+1 0.00013 0.00006 0.00006 0.00000
108 15F-1 0.00185 0.00093 0.00093 0.00000
109 15F+2 0.00162 0.00081 0.00081 0.00000
110 15F-2 0.00000 0.00000 0.00000 0.00000
111 15F+3 0.00162 0.00081 0.00081 0.00000
112 15F-3 0.00302 0.00151 0.00151 0.00000
113 16F 0 -0.00053 -0.00026 -0.00026 0.00000
114 16F+1 -0.00008 -0.00004 -0.00004 0.00000
115 16F-1 0.00045 0.00023 0.00023 0.00000
116 16F+2 -0.00095 -0.00047 -0.00047 0.00000
117 16F-2 0.00001 0.00000 0.00000 0.00000
118 16F+3 -0.00015 -0.00007 -0.00007 0.00000
119 16F-3 0.00038 0.00019 0.00019 0.00000
Condensed to atoms (all electrons):
1 2 3
1 O 8.217446 0.215164 0.003966
2 H 0.215164 0.530183 0.001265
3 Cl 0.003966 0.001265 16.811582
Atomic-Atomic Spin Densities.
1 2 3
1 O 0.000000 0.000000 0.000000
2 H 0.000000 0.000000 0.000000
3 Cl 0.000000 0.000000 0.000000
Mulliken charges and spin densities:
1 2
1 O -0.436575 0.000000
2 H 0.253388 0.000000
3 Cl 0.183188 0.000000
Sum of Mulliken charges = 0.00000 0.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 O -0.183188 0.000000
3 Cl 0.183188 0.000000
Electronic spatial extent (au): <R**2>= 105.5793
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= -1.6007 Y= 0.2653 Z= 0.0000 Tot= 1.6226
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -16.9743 YY= -16.7864 ZZ= -19.2739
XY= -2.6672 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.7039 YY= 0.8918 ZZ= -1.5957
XY= -2.6672 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= -2.3153 YYY= 1.1698 ZZZ= 0.0000 XYY= -3.5969
XXY= 3.8908 XXZ= 0.0000 XZZ= -0.1622 YZZ= 0.9616
YYZ= 0.0000 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -19.1841 YYYY= -80.2543 ZZZZ= -19.8523 XXXY= -0.9477
XXXZ= 0.0000 YYYX= -3.7207 YYYZ= 0.0000 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -15.6365 XXZZ= -6.8332 YYZZ= -19.4241
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.5005
N-N= 5.073237965498D+01 E-N=-1.374604288697D+03 KE= 5.347071607583D+02
Symmetry A' KE= 4.839548559164D+02
Symmetry A" KE= 5.075230484191D+01
Orbital energies and kinetic energies (alpha):
1 2
1 O -104.893418 137.136075
2 O -20.646341 29.198502
3 O -10.612449 21.796013
4 O -8.079588 20.603408
5 O -8.076555 20.667280
6 O -8.076408 20.668764
7 O -1.408789 2.654877
8 O -1.062915 3.104005
9 O -0.719121 2.053681
10 O -0.611751 2.182149
11 O -0.600654 2.338863
12 O -0.470338 2.424724
13 O -0.446873 2.525240
14 V 0.028462 0.186548
15 V 0.059934 0.835046
16 V 0.109969 0.215047
17 V 0.116042 0.223938
18 V 0.138415 1.036685
19 V 0.157728 0.662598
20 V 0.173137 0.346738
21 V 0.175481 0.651281
22 V 0.188421 0.283073
23 V 0.243133 0.412225
24 V 0.258559 0.346580
25 V 0.310099 0.439638
26 V 0.322716 0.563759
27 V 0.388447 0.571653
28 V 0.393757 0.635360
29 V 0.420992 0.739991
30 V 0.423688 1.047220
31 V 0.449032 0.809724
32 V 0.499574 1.410974
33 V 0.607289 1.092114
34 V 0.617628 1.486546
35 V 0.689682 1.442256
36 V 0.709060 1.070229
37 V 0.711767 0.870567
38 V 0.729081 1.150169
39 V 0.776271 1.090335
40 V 0.796508 1.487315
41 V 0.887639 1.226613
42 V 0.900604 1.285148
43 V 0.910985 1.642235
44 V 0.913874 1.163881
45 V 0.928575 1.557801
46 V 0.930765 1.585773
47 V 0.949410 1.745001
48 V 0.970986 1.561110
49 V 1.005596 1.699526
50 V 1.007641 1.315804
51 V 1.042276 2.341286
52 V 1.125834 1.689127
53 V 1.149022 1.855280
54 V 1.220403 1.447563
55 V 1.233744 1.453011
56 V 1.308309 1.821545
57 V 1.343443 1.626070
58 V 1.410961 2.084773
59 V 1.416981 1.577206
60 V 1.511128 1.782683
61 V 1.534896 1.812660
62 V 1.561942 1.937294
63 V 1.685012 2.321415
64 V 1.778929 2.732090
65 V 1.904358 2.938233
66 V 2.091004 3.149910
67 V 2.201457 3.099605
68 V 2.261196 2.729816
69 V 2.288720 3.725474
70 V 2.337776 3.088827
71 V 2.376732 2.908197
72 V 2.382444 3.322472
73 V 2.440844 4.371934
74 V 2.480437 5.057427
75 V 2.506670 5.072898
76 V 2.530574 3.488499
77 V 2.546835 4.260905
78 V 2.552867 4.035999
79 V 2.596598 4.763378
80 V 2.616779 4.825669
81 V 2.746938 3.252083
82 V 2.774907 3.452943
83 V 2.921714 5.749860
84 V 2.992074 6.130536
85 V 3.014858 4.622570
86 V 3.056696 3.928029
87 V 3.072913 4.123069
88 V 3.129496 4.172490
89 V 3.135277 4.041492
90 V 3.304422 5.176483
91 V 3.346295 4.790464
92 V 3.357864 4.483006
93 V 3.696493 7.786289
94 V 3.736055 5.068006
95 V 4.123115 4.516779
96 V 4.164441 8.102482
97 V 4.337130 5.062435
98 V 4.345765 4.909284
99 V 4.513330 5.718234
100 V 4.710105 7.894897
101 V 4.793242 7.347474
102 V 5.188116 7.027057
103 V 5.296249 6.926981
104 V 5.524964 8.272068
105 V 6.138498 11.806232
106 V 6.295281 11.371085
107 V 6.646509 7.665383
108 V 6.722621 8.101294
109 V 6.735526 7.768563
110 V 6.762352 7.918669
111 V 7.143733 9.399245
112 V 7.175491 8.553403
113 V 7.215557 9.160879
114 V 7.247203 9.414841
115 V 7.249819 9.807855
116 V 7.463355 10.169457
117 V 7.561543 10.349014
118 V 8.200970 11.335849
119 V 14.413324 37.397520
Total kinetic energy from orbitals= 5.347071607583D+02
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 O(17) 0.00000 0.00000 0.00000 0.00000
2 H(1) 0.00000 0.00000 0.00000 0.00000
3 Cl(35) 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
--------------------------------------------------------
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
--------------------------------------------------------
---------------------------------------------------------------------------------
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 O(17) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
2 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
3 Cl(35) 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 Fri Apr 5 07:45:25 2019, MaxMem= 13421772800 cpu: 7.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-3-8\SP\ROCCSD(T)-FC\Aug-CC-pVTZ\Cl1H1O1\LOOS\05-Apr-2
019\0\\#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint\\G2\\0,1\O\H,1,0.9680
4646\Cl,1,1.7074574,2,102.46612245\\Version=ES64L-G09RevD.01\State=1-A
'\HF=-534.9213843\MP2=-535.3712979\MP3=-535.3869818\PUHF=-534.9213843\
PMP2-0=-535.3712979\MP4SDQ=-535.390591\CCSD=-535.3892155\CCSD(T)=-535.
4090702\RMSD=1.979e-09\PG=CS [SG(Cl1H1O1)]\\@
LIVE PURE, SPEAK TRUE, RIGHT WRONG, FOLLOW THE KING...
ELSE, WHEREFORE BORN......
IDYLLS OF THE KING, TENNYSON
Job cpu time: 0 days 2 hours 55 minutes 51.3 seconds.
File lengths (MBytes): RWF= 469 Int= 0 D2E= 0 Chk= 2 Scr= 1
Normal termination of Gaussian 09 at Fri Apr 5 07:45:25 2019.
Reference in New Issue View Git Blame Copy Permalink