problem with RS2-F12 calculation

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behnam nikoobakht

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Nov 10, 2021, 9:13:59 AM11/10/21

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Dear all,

I want to do a RS2-F12 calculation for a system with Cs point group symmetry. I face an error indicating that SPIN SYMMETRY NOT POSSIBLE.I do not have any idea what it means. I put the output file here. Any help would be appreciated.

Best regards,

Behnam

Primary working directories : /scratch/behnam/molpro/137325/molpro.xY8yMTrIEh
Secondary working directories : /scratch/behnam/molpro/137325/molpro.xY8yMTrIEh
Wavefunction directory : /home/behnam/wfu/
Main file repository : /scratch/behnam/molpro/137325/molpro.xY8yMTrIEh/

id : tcheid

Nodes nprocs
node11.service 8

Using customized tuning parameters: mindgm=1; mindgv=20; mindgc=4; mindgr=1; noblas=0; minvec=7
default implementation of scratch files=sf

Variables initialized (934), CPU time= 0.00 sec
***,CH2OO
gprint,basis
gexpec,dm,sm,qm
!
basis=aug-cc-pVTZ-f12
geometry={
angstrom
c
c 1 cc2
c 2 cc3 1 ccc3
o 3 oc4 2 occ4 1 dih4
o 4 oo5 3 ooc5 2 dih5
c 3 cc6 2 ccc6 1 dih6
h 1 hc7 2 hcc7 3 dih7
h 1 hc8 2 hcc8 3 dih8
h 2 hc9 3 hcc9 6 dih9
h 6 hc10 3 hcc10 2 dih10
h 6 hc11 3 hcc11 2 dih11
h 6 hc12 3 hcc12 2 dih12
}
cc2=1.340143
cc3=1.436321
ccc3=124.945
oc4=1.292537
occ4=113.765
dih4=180.000
oo5=1.345645
ooc5=117.606
dih5=180.000
cc6=1.471119
ccc6=128.152
dih6=0.000
hc7=1.079278
hcc7=122.336
dih7=0.000
hc8=1.078730
hcc8=120.540
dih8=180.000
hc9=1.082018
hcc9=114.811
dih9=180.000
hc10=1.083534
hcc10=112.129
dih10=0.000
hc11=1.091503
hcc11=108.689
dih11=123.062
hc12=1.091503
hcc12=108.689
dih12=-123.062
!
hf
wf,46,1,0
orbprint,50

{multi;maxit,40;occ,23,4
frozen,17,0
wf,46,1,0;state,4;wf,46,2,0;state,3
natorb,ci,print;
thresh,0.03
orbprint,20}

{RS2-F12,nocheck,IPEA=0.30
wf,24,1,0;
maxit,200,400;
orbital;
state,4,1,2,3,4
thresh,printci=0.03
print,ref=0,ref=1}

{RS2-F12,nocheck,IPEA=0.30
wf,24,2,0;
maxit,200,400;
orbital;
state,3,1,2,3
thresh,printci=0.03
print,ref=0,ref=1}
Commands initialized (763), CPU time= 0.00 sec, 617 directives.
Default parameters read. Elapsed time= 0.57 sec

Checking input...
Passed
1

*** PROGRAM SYSTEM MOLPRO ***
Copyright, TTI GmbH Stuttgart, 2015
Version 2019.2 linked Oct 25 2019 22:50:27

**********************************************************************************************************************************
LABEL * CH2OO
64 bit mpp version DATE: 10-Nov-21 TIME: 14:13:42
**********************************************************************************************************************************

SHA1: 8dbd9ae1082e4ce945b0f27595c9eb2d4aa09004
**********************************************************************************************************************************

Variable memory set to 2000000000 words, buffer space

SETTING BASIS = AUG-CC-PVTZ-F12
SETTING CC2 = 1.34014300
SETTING CC3 = 1.43632100
SETTING CCC3 = 124.94500000
SETTING OC4 = 1.29253700
SETTING OCC4 = 113.76500000
SETTING DIH4 = 180.00000000
SETTING OO5 = 1.34564500
SETTING OOC5 = 117.60600000
SETTING DIH5 = 180.00000000
SETTING CC6 = 1.47111900
SETTING CCC6 = 128.15200000
SETTING DIH6 = 0.00000000D+00
SETTING HC7 = 1.07927800
SETTING HCC7 = 122.33600000
SETTING DIH7 = 0.00000000D+00
SETTING HC8 = 1.07873000
SETTING HCC8 = 120.54000000
SETTING DIH8 = 180.00000000
SETTING HC9 = 1.08201800
SETTING HCC9 = 114.81100000
SETTING DIH9 = 180.00000000
SETTING HC10 = 1.08353400
SETTING HCC10 = 112.12900000
SETTING DIH10 = 0.00000000D+00
SETTING HC11 = 1.09150300
SETTING HCC11 = 108.68900000
SETTING DIH11 = 123.06200000
SETTING HC12 = 1.09150300
SETTING HCC12 = 108.68900000
SETTING DIH12 = -123.06200000

Recomputing integrals since basis changed

Using spherical harmonics

Library entry C S cc-pVTZ-F12 selected for orbital group 1
Library entry C P cc-pVTZ-F12 selected for orbital group 1
Library entry C D cc-pVTZ-F12 selected for orbital group 1
Library entry C D vtz-f12-diff selected for orbital group 1
Library entry C F cc-pVTZ-F12 selected for orbital group 1
Library entry C F vtz-f12-diff selected for orbital group 1
Library entry O S cc-pVTZ-F12 selected for orbital group 2
Library entry O P cc-pVTZ-F12 selected for orbital group 2
Library entry O D cc-pVTZ-F12 selected for orbital group 2
Library entry O D vtz-f12-diff selected for orbital group 2
Library entry O F cc-pVTZ-F12 selected for orbital group 2
Library entry O F vtz-f12-diff selected for orbital group 2
Library entry H S cc-pVTZ-F12 selected for orbital group 4
Library entry H P cc-pVTZ-F12 selected for orbital group 4
Library entry H P vtz-f12-diff selected for orbital group 4
Library entry H D cc-pVTZ-F12 selected for orbital group 4
Library entry H D vtz-f12-diff selected for orbital group 4

PROGRAM * SEWARD (Integral evaluation for generally contracted gaussian basis sets) Author: Roland Lindh, 1990

Geometry written to block 1 of record 700

Orientation using atomic masses
Molecule type: Asymmetric top
Symmetry elements: X
Rotational constants: 1.8899986 2.3755883 8.7609513 GHz (calculated with average atomic masses)

Point group Cs

ATOMIC COORDINATES

NR ATOM CHARGE X Y Z

1 C 6.00 0.000000000 -0.080883595 -4.746846561
2 C 6.00 0.000000000 -1.208493648 -2.479233672
3 C 6.00 0.000000000 0.091435173 -0.096513351
4 O 8.00 0.000000000 -1.399533407 1.838174975
5 O 8.00 0.000000000 -0.333942533 4.147040302
6 C 6.00 0.000000000 2.833026823 0.364075384
7 H 1.00 0.000000000 1.947865821 -4.956366336
8 H 1.00 0.000000000 -1.191739351 -6.456085899
9 H 1.00 0.000000000 -3.248705690 -2.343567820
10 H 1.00 0.000000000 3.907929155 -1.378675056
11 H 1.00 -1.637511150 3.308224784 1.524779935
12 H 1.00 1.637511150 3.308224784 1.524779935

Bond lengths in Bohr (Angstrom)

1-2 2.532503238 1-7 2.039539832 1-8 2.038504262 2-3 2.714253317 2-9 2.044717682
( 1.340143000) ( 1.079278000) ( 1.078730000) ( 1.436321000) ( 1.082018000)

3- 4 2.442540936 3- 6 2.780012007 4- 5 2.542900511 6-10 2.047582507 6-11 2.062641734
( 1.292537000) ( 1.471119000) ( 1.345645000) ( 1.083534000) ( 1.091503000)

6-12 2.062641734
( 1.091503000)

Bond angles

1-2-3 124.94500000 1-2-9 120.24400000 2-1-7 122.33600000 2-1-8 120.54000000

2-3-4 113.76500000 2-3-6 128.15200000 3-2-9 114.81100000 3-4-5 117.60600000

3- 6-10 112.12900000 3- 6-11 108.68900000 3- 6-12 108.68900000 4- 3- 6 118.08300000

7- 1- 8 117.12400000 10- 6-11 110.97799145 10- 6-12 110.97799145 11- 6-12 105.10112350

BASIS DATA

Nr Sym Nuc Type Exponents Contraction coefficients

1.1 A' 1 1s 33980.000000 0.000091 -0.000019 0.000000 0.000000 0.000000
2.1 A' 5089.000000 0.000704 -0.000151 0.000000 0.000000 0.000000
3.1 A' 1157.000000 0.003693 -0.000785 0.000000 0.000000 0.000000
4.1 A' 326.600000 0.015360 -0.003324 0.000000 0.000000 0.000000
5.1 A' 106.100000 0.052929 -0.011512 0.000000 0.000000 0.000000
38.110000 0.147043 -0.034160 0.000000 0.000000 0.000000
14.750000 0.305631 -0.077173 0.000000 0.000000 0.000000
6.035000 0.399345 -0.141493 0.000000 0.000000 0.000000
2.530000 0.217051 -0.118019 0.000000 0.000000 0.000000
0.735500 0.015894 0.273806 1.000000 0.000000 0.000000
0.290500 -0.003084 0.586510 0.000000 1.000000 0.000000
0.111100 0.000978 0.285430 0.000000 0.000000 1.000000
6.1 A' 1 1s 0.041450 1.000000
7.1 A' 1 2py 34.510000 0.005378
7.915000 0.036132
2.368000 0.142493
0.813200 0.342150
0.289000 0.463864
0.100700 0.250028
8.1 A' 1 2pz 34.510000 0.005378
7.915000 0.036132
2.368000 0.142493
0.813200 0.342150
0.289000 0.463864
0.100700 0.250028
9.1 A' 1 2py 34.510000 0.000000
7.915000 0.000000
2.368000 1.000000
0.813200 0.000000
0.289000 0.000000
0.100700 0.000000
10.1 A' 1 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 1.000000
0.813200 0.000000
0.289000 0.000000
0.100700 0.000000
11.1 A' 1 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 1.000000
0.289000 0.000000
0.100700 0.000000
12.1 A' 1 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 1.000000
0.289000 0.000000
0.100700 0.000000
13.1 A' 1 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 1.000000
0.100700 0.000000
14.1 A' 1 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 1.000000
0.100700 0.000000
15.1 A' 1 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 0.000000
0.100700 1.000000
16.1 A' 1 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 0.000000
0.100700 1.000000
17.1 A' 1 2py 0.032180 1.000000
18.1 A' 1 2pz 0.032180 1.000000
19.1 A' 1 3d0 2.280500 1.000000
20.1 A' 1 3d2+ 2.280500 1.000000
21.1 A' 1 3d1- 2.280500 1.000000
22.1 A' 1 3d0 0.783400 1.000000
23.1 A' 1 3d2+ 0.783400 1.000000
24.1 A' 1 3d1- 0.783400 1.000000
25.1 A' 1 3d0 0.269100 1.000000
26.1 A' 1 3d2+ 0.269100 1.000000
27.1 A' 1 3d1- 0.269100 1.000000
28.1 A' 1 3d0 0.091600 1.000000
29.1 A' 1 3d2+ 0.091600 1.000000
30.1 A' 1 3d1- 0.091600 1.000000
31.1 A' 1 4f1- 1.037100 1.000000
32.1 A' 1 4f0 1.037100 1.000000
33.1 A' 1 4f3- 1.037100 1.000000
34.1 A' 1 4f2+ 1.037100 1.000000
35.1 A' 1 4f1- 0.345900 1.000000
36.1 A' 1 4f0 0.345900 1.000000
37.1 A' 1 4f3- 0.345900 1.000000
38.1 A' 1 4f2+ 0.345900 1.000000
39.1 A' 1 4f1- 0.125500 1.000000
40.1 A' 1 4f0 0.125500 1.000000
41.1 A' 1 4f3- 0.125500 1.000000
42.1 A' 1 4f2+ 0.125500 1.000000
43.1 A' 2 1s 33980.000000 0.000091 -0.000019 0.000000 0.000000 0.000000
44.1 A' 5089.000000 0.000704 -0.000151 0.000000 0.000000 0.000000
45.1 A' 1157.000000 0.003693 -0.000785 0.000000 0.000000 0.000000
46.1 A' 326.600000 0.015360 -0.003324 0.000000 0.000000 0.000000
47.1 A' 106.100000 0.052929 -0.011512 0.000000 0.000000 0.000000
38.110000 0.147043 -0.034160 0.000000 0.000000 0.000000
14.750000 0.305631 -0.077173 0.000000 0.000000 0.000000
6.035000 0.399345 -0.141493 0.000000 0.000000 0.000000
2.530000 0.217051 -0.118019 0.000000 0.000000 0.000000
0.735500 0.015894 0.273806 1.000000 0.000000 0.000000
0.290500 -0.003084 0.586510 0.000000 1.000000 0.000000
0.111100 0.000978 0.285430 0.000000 0.000000 1.000000
48.1 A' 2 1s 0.041450 1.000000
49.1 A' 2 2py 34.510000 0.005378
7.915000 0.036132
2.368000 0.142493
0.813200 0.342150
0.289000 0.463864
0.100700 0.250028
50.1 A' 2 2pz 34.510000 0.005378
7.915000 0.036132
2.368000 0.142493
0.813200 0.342150
0.289000 0.463864
0.100700 0.250028
51.1 A' 2 2py 34.510000 0.000000
7.915000 0.000000
2.368000 1.000000
0.813200 0.000000
0.289000 0.000000
0.100700 0.000000
52.1 A' 2 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 1.000000
0.813200 0.000000
0.289000 0.000000
0.100700 0.000000
53.1 A' 2 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 1.000000
0.289000 0.000000
0.100700 0.000000
54.1 A' 2 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 1.000000
0.289000 0.000000
0.100700 0.000000
55.1 A' 2 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 1.000000
0.100700 0.000000
56.1 A' 2 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 1.000000
0.100700 0.000000
57.1 A' 2 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 0.000000
0.100700 1.000000
58.1 A' 2 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 0.000000
0.100700 1.000000
59.1 A' 2 2py 0.032180 1.000000
60.1 A' 2 2pz 0.032180 1.000000
61.1 A' 2 3d0 2.280500 1.000000
62.1 A' 2 3d2+ 2.280500 1.000000
63.1 A' 2 3d1- 2.280500 1.000000
64.1 A' 2 3d0 0.783400 1.000000
65.1 A' 2 3d2+ 0.783400 1.000000
66.1 A' 2 3d1- 0.783400 1.000000
67.1 A' 2 3d0 0.269100 1.000000
68.1 A' 2 3d2+ 0.269100 1.000000
69.1 A' 2 3d1- 0.269100 1.000000
70.1 A' 2 3d0 0.091600 1.000000
71.1 A' 2 3d2+ 0.091600 1.000000
72.1 A' 2 3d1- 0.091600 1.000000
73.1 A' 2 4f1- 1.037100 1.000000
74.1 A' 2 4f0 1.037100 1.000000
75.1 A' 2 4f3- 1.037100 1.000000
76.1 A' 2 4f2+ 1.037100 1.000000
77.1 A' 2 4f1- 0.345900 1.000000
78.1 A' 2 4f0 0.345900 1.000000
79.1 A' 2 4f3- 0.345900 1.000000
80.1 A' 2 4f2+ 0.345900 1.000000
81.1 A' 2 4f1- 0.125500 1.000000
82.1 A' 2 4f0 0.125500 1.000000
83.1 A' 2 4f3- 0.125500 1.000000
84.1 A' 2 4f2+ 0.125500 1.000000
85.1 A' 3 1s 33980.000000 0.000091 -0.000019 0.000000 0.000000 0.000000
86.1 A' 5089.000000 0.000704 -0.000151 0.000000 0.000000 0.000000
87.1 A' 1157.000000 0.003693 -0.000785 0.000000 0.000000 0.000000
88.1 A' 326.600000 0.015360 -0.003324 0.000000 0.000000 0.000000
89.1 A' 106.100000 0.052929 -0.011512 0.000000 0.000000 0.000000
38.110000 0.147043 -0.034160 0.000000 0.000000 0.000000
14.750000 0.305631 -0.077173 0.000000 0.000000 0.000000
6.035000 0.399345 -0.141493 0.000000 0.000000 0.000000
2.530000 0.217051 -0.118019 0.000000 0.000000 0.000000
0.735500 0.015894 0.273806 1.000000 0.000000 0.000000
0.290500 -0.003084 0.586510 0.000000 1.000000 0.000000
0.111100 0.000978 0.285430 0.000000 0.000000 1.000000
90.1 A' 3 1s 0.041450 1.000000
91.1 A' 3 2py 34.510000 0.005378
7.915000 0.036132
2.368000 0.142493
0.813200 0.342150
0.289000 0.463864
0.100700 0.250028
92.1 A' 3 2pz 34.510000 0.005378
7.915000 0.036132
2.368000 0.142493
0.813200 0.342150
0.289000 0.463864
0.100700 0.250028
93.1 A' 3 2py 34.510000 0.000000
7.915000 0.000000
2.368000 1.000000
0.813200 0.000000
0.289000 0.000000
0.100700 0.000000
94.1 A' 3 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 1.000000
0.813200 0.000000
0.289000 0.000000
0.100700 0.000000
95.1 A' 3 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 1.000000
0.289000 0.000000
0.100700 0.000000
96.1 A' 3 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 1.000000
0.289000 0.000000
0.100700 0.000000
97.1 A' 3 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 1.000000
0.100700 0.000000
98.1 A' 3 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 1.000000
0.100700 0.000000
99.1 A' 3 2py 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 0.000000
0.100700 1.000000
100.1 A' 3 2pz 34.510000 0.000000
7.915000 0.000000
2.368000 0.000000
0.813200 0.000000
0.289000 0.000000
0.100700 1.000000
101.1 A' 3 2py 0.032180 1.000000
102.1 A' 3 2pz 0.032180 1.000000
103.1 A' 3 3d0 2.280500 1.000000
104.1 A' 3 3d2+ 2.280500 1.000000
105.1 A' 3 3d1- 2.280500 1.000000
106.1 A' 3 3d0 0.783400 1.000000
107.1 A' 3 3d2+ 0.783400 1.000000
108.1 A' 3 3d1- 0.783400 1.000000
109.1 A' 3 3d0 0.269100 1.000000
110.1 A' 3 3d2+ 0.269100 1.000000
111.1 A' 3 3d1- 0.269100 1.000000
112.1 A' 3 3d0 0.091600 1.000000
113.1 A' 3 3d2+ 0.091600 1.000000
114.1 A' 3 3d1- 0.091600 1.000000
115.1 A' 3 4f1- 1.037100 1.000000
116.1 A' 3 4f0 1.037100 1.000000
117.1 A' 3 4f3- 1.037100 1.000000
118.1 A' 3 4f2+ 1.037100 1.000000
119.1 A' 3 4f1- 0.345900 1.000000
120.1 A' 3 4f0 0.345900 1.000000
121.1 A' 3 4f3- 0.345900 1.000000
122.1 A' 3 4f2+ 0.345900 1.000000
123.1 A' 3 4f1- 0.125500 1.000000
124.1 A' 3 4f0 0.125500 1.000000
125.1 A' 3 4f3- 0.125500 1.000000
126.1 A' 3 4f2+ 0.125500 1.000000
127.1 A' 4 1s 61420.000000 0.000090 -0.000020 0.000000 0.000000 0.000000
128.1 A' 9199.000000 0.000698 -0.000159 0.000000 0.000000 0.000000
129.1 A' 2091.000000 0.003664 -0.000829 0.000000 0.000000 0.000000
130.1 A' 590.900000 0.015218 -0.003508 0.000000 0.000000 0.000000
131.1 A' 192.300000 0.052423 -0.012156 0.000000 0.000000 0.000000
69.320000 0.145921 -0.036261 0.000000 0.000000 0.000000
26.970000 0.305258 -0.082992 0.000000 0.000000 0.000000
11.100000 0.398508 -0.152090 0.000000 0.000000 0.000000
4.682000 0.216980 -0.115331 0.000000 0.000000 0.000000
1.428000 0.017594 0.288979 1.000000 0.000000 0.000000
0.554700 -0.002502 0.586128 0.000000 1.000000 0.000000
0.206700 0.000954 0.277624 0.000000 0.000000 1.000000
132.1 A' 4 1s 0.069590 1.000000
133.1 A' 4 2py 63.420000 0.006044
14.660000 0.041799
4.459000 0.161143
1.531000 0.356731
0.530200 0.448309
0.175000 0.244940
134.1 A' 4 2pz 63.420000 0.006044
14.660000 0.041799
4.459000 0.161143
1.531000 0.356731
0.530200 0.448309
0.175000 0.244940
135.1 A' 4 2py 63.420000 0.000000
14.660000 0.000000
4.459000 1.000000
1.531000 0.000000
0.530200 0.000000
0.175000 0.000000
136.1 A' 4 2pz 63.420000 0.000000
14.660000 0.000000
4.459000 1.000000
1.531000 0.000000
0.530200 0.000000
0.175000 0.000000
137.1 A' 4 2py 63.420000 0.000000
14.660000 0.000000
4.459000 0.000000
1.531000 1.000000
0.530200 0.000000
0.175000 0.000000
138.1 A' 4 2pz 63.420000 0.000000
14.660000 0.000000
4.459000 0.000000
1.531000 1.000000
0.530200 0.000000
0.175000 0.000000
139.1 A' 4 2py 63.420000 0.000000
14.660000 0.000000
4.459000 0.000000
1.531000 0.000000
0.530200 1.000000
0.175000 0.000000
140.1 A' 4 2pz 63.420000 0.000000
14.660000 0.000000
4.459000 0.000000
1.531000 0.000000
0.530200 1.000000
0.175000 0.000000
141.1 A' 4 2py 63.420000 0.000000
14.660000 0.000000
4.459000 0.000000
1.531000 0.000000
0.530200 0.000000
0.175000 1.000000
142.1 A' 4 2pz 63.420000 0.000000
14.660000 0.000000
4.459000 0.000000
1.531000 0.000000
0.530200 0.000000
0.175000 1.000000
143.1 A' 4 2py 0.053480 1.000000
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7.915000 0.036132
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330.1 A' 11 2pz 1.551300 1.000000
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331.1 A' 11 2px 1.551300 1.000000
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333.1 A' 11 2pz 0.558000 1.000000
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344.1 A' 11 3d2- 0.464800 1.000000
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345.1 A' 11 3d1+ 0.464800 1.000000
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346.1 A' 11 3d0 0.106500 1.000000
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107.2 A" 5 4f1+ 1.495600 1.000000
108.2 A" 5 4f3+ 1.495600 1.000000
109.2 A" 5 4f2- 1.495600 1.000000
110.2 A" 5 4f1+ 0.537900 1.000000
111.2 A" 5 4f3+ 0.537900 1.000000
112.2 A" 5 4f2- 0.537900 1.000000
113.2 A" 5 4f1+ 0.193500 1.000000
114.2 A" 5 4f3+ 0.193500 1.000000
115.2 A" 5 4f2- 0.193500 1.000000
116.2 A" 6 2px 34.510000 0.005378 0.000000 0.000000 0.000000 0.000000
117.2 A" 7.915000 0.036132 0.000000 0.000000 0.000000 0.000000
118.2 A" 2.368000 0.142493 1.000000 0.000000 0.000000 0.000000
119.2 A" 0.813200 0.342150 0.000000 1.000000 0.000000 0.000000
120.2 A" 0.289000 0.463864 0.000000 0.000000 1.000000 0.000000
0.100700 0.250028 0.000000 0.000000 0.000000 1.000000
121.2 A" 6 2px 0.032180 1.000000
122.2 A" 6 3d2- 2.280500 1.000000
123.2 A" 6 3d1+ 2.280500 1.000000
124.2 A" 6 3d2- 0.783400 1.000000
125.2 A" 6 3d1+ 0.783400 1.000000
126.2 A" 6 3d2- 0.269100 1.000000
127.2 A" 6 3d1+ 0.269100 1.000000
128.2 A" 6 3d2- 0.091600 1.000000
129.2 A" 6 3d1+ 0.091600 1.000000
130.2 A" 6 4f1+ 1.037100 1.000000
131.2 A" 6 4f3+ 1.037100 1.000000
132.2 A" 6 4f2- 1.037100 1.000000
133.2 A" 6 4f1+ 0.345900 1.000000
134.2 A" 6 4f3+ 0.345900 1.000000
135.2 A" 6 4f2- 0.345900 1.000000
136.2 A" 6 4f1+ 0.125500 1.000000
137.2 A" 6 4f3+ 0.125500 1.000000
138.2 A" 6 4f2- 0.125500 1.000000
139.2 A" 7 2px 1.551300 1.000000
140.2 A" 7 2px 0.558000 1.000000
141.2 A" 7 2px 0.200700 1.000000
142.2 A" 7 2px 0.059400 1.000000
143.2 A" 7 3d2- 0.464800 1.000000
144.2 A" 7 3d1+ 0.464800 1.000000
145.2 A" 7 3d2- 0.106500 1.000000
146.2 A" 7 3d1+ 0.106500 1.000000
147.2 A" 8 2px 1.551300 1.000000
148.2 A" 8 2px 0.558000 1.000000
149.2 A" 8 2px 0.200700 1.000000
150.2 A" 8 2px 0.059400 1.000000
151.2 A" 8 3d2- 0.464800 1.000000
152.2 A" 8 3d1+ 0.464800 1.000000
153.2 A" 8 3d2- 0.106500 1.000000
154.2 A" 8 3d1+ 0.106500 1.000000
155.2 A" 9 2px 1.551300 1.000000
156.2 A" 9 2px 0.558000 1.000000
157.2 A" 9 2px 0.200700 1.000000
158.2 A" 9 2px 0.059400 1.000000
159.2 A" 9 3d2- 0.464800 1.000000
160.2 A" 9 3d1+ 0.464800 1.000000
161.2 A" 9 3d2- 0.106500 1.000000
162.2 A" 9 3d1+ 0.106500 1.000000
163.2 A" 10 2px 1.551300 1.000000
164.2 A" 10 2px 0.558000 1.000000
165.2 A" 10 2px 0.200700 1.000000
166.2 A" 10 2px 0.059400 1.000000
167.2 A" 10 3d2- 0.464800 1.000000
168.2 A" 10 3d1+ 0.464800 1.000000
169.2 A" 10 3d2- 0.106500 1.000000
170.2 A" 10 3d1+ 0.106500 1.000000
171.2 A" 11 1s 82.640000 0.002006 0.000000 0.000000 0.000000
172.2 A" 12 -1s 12.410000 0.015343 0.000000 0.000000 0.000000
173.2 A" 2.824000 0.075579 0.000000 0.000000 0.000000
174.2 A" 0.797700 0.256875 1.000000 0.000000 0.000000
0.258100 0.497368 0.000000 1.000000 0.000000
0.089890 0.296133 0.000000 0.000000 1.000000
175.2 A" 11 2px 1.551300 1.000000
12 2px
176.2 A" 11 2py 1.551300 1.000000
12 -2py
177.2 A" 11 2pz 1.551300 1.000000
12 -2pz
178.2 A" 11 2px 0.558000 1.000000
12 2px
179.2 A" 11 2py 0.558000 1.000000
12 -2py
180.2 A" 11 2pz 0.558000 1.000000
12 -2pz
181.2 A" 11 2px 0.200700 1.000000
12 2px
182.2 A" 11 2py 0.200700 1.000000
12 -2py
183.2 A" 11 2pz 0.200700 1.000000
12 -2pz
184.2 A" 11 2px 0.059400 1.000000
12 2px
185.2 A" 11 2py 0.059400 1.000000
12 -2py
186.2 A" 11 2pz 0.059400 1.000000
12 -2pz
187.2 A" 11 3d2- 0.464800 1.000000
12 3d2-
188.2 A" 11 3d1+ 0.464800 1.000000
12 3d1+
189.2 A" 11 3d0 0.464800 1.000000
12 -3d0
190.2 A" 11 3d2+ 0.464800 1.000000
12 -3d2+
191.2 A" 11 3d1- 0.464800 1.000000
12 -3d1-
192.2 A" 11 3d2- 0.106500 1.000000
12 3d2-
193.2 A" 11 3d1+ 0.106500 1.000000
12 3d1+
194.2 A" 11 3d0 0.106500 1.000000
12 -3d0
195.2 A" 11 3d2+ 0.106500 1.000000
12 -3d2+
196.2 A" 11 3d1- 0.106500 1.000000
12 -3d1-

NUCLEAR CHARGE: 46
NUMBER OF PRIMITIVE AOS: 708
NUMBER OF SYMMETRY AOS: 618
NUMBER OF CONTRACTIONS: 546 ( 350A' + 196A" )
NUMBER OF CORE ORBITALS: 6 ( 6A' + 0A" )
NUMBER OF VALENCE ORBITALS: 30 ( 23A' + 7A" )

NUCLEAR REPULSION ENERGY 226.06059664

Eigenvalues of metric

1 0.122E-06 0.446E-06 0.805E-06 0.116E-05 0.134E-05 0.276E-05 0.409E-05 0.492E-05
2 0.981E-05 0.210E-04 0.442E-04 0.483E-04 0.153E-03 0.209E-03 0.301E-03 0.330E-03

Contracted 2-electron integrals neglected if value below 1.0D-14
AO integral compression algorithm 1 Integral accuracy 1.0D-14

35109.994 MB (compressed) written to integral file ( 71.2%)

Node minimum: 4267.180 MB, node maximum: 4525.654 MB

NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 703792951. BUFFER LENGTH: 32768
NUMBER OF SEGMENTS: 23 SEGMENT LENGTH: 31996696 RECORD LENGTH: 524288

Memory used in sort: 32.55 MW

SORT1 READ 6163763064. AND WROTE 665525037. INTEGRALS IN 1916 RECORDS. CPU TIME: 449.33 SEC, REAL TIME: 480.38 SEC
SORT2 READ 5324357677. AND WROTE 5630529646. INTEGRALS IN 132384 RECORDS. CPU TIME: 135.86 SEC, REAL TIME: 776.66 SEC

Node minimum: 703742496. Node maximum: 703987319. integrals

OPERATOR DM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000
OPERATOR SM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000
OPERATOR QM FOR CENTER 0 COORDINATES: 0.000000 0.000000 0.000000

**********************************************************************************************************************************
DATASETS * FILE NREC LENGTH (MB) RECORD NAMES
1 18 44.02 500 610 700 900 950 970 1000 129 960 1100
VAR BASINP GEOM SYMINP ZMAT AOBASIS BASIS P2S ABASIS S
1400 1410 1200 1210 1080 1600 1650 1700
T V H0 H01 AOSYM SMH MOLCAS OPER

PROGRAMS * TOTAL INT
CPU TIMES * 636.16 636.03
REAL TIME * 1407.05 SEC
DISK USED * 44.63 MB (local), 99.06 GB (total)
GA USED * 0.00 MB (max) 0.00 MB (current)
**********************************************************************************************************************************

PROGRAM * RHF-SCF (CLOSED SHELL) Authors: W. Meyer, H.-J. Werner

NUMBER OF ELECTRONS: 23+ 23- SPACE SYMMETRY=1 SPIN SYMMETRY: Singlet
CONVERGENCE THRESHOLDS: 1.00E-05 (Density) 1.00E-07 (Energy)
MAX. NUMBER OF ITERATIONS: 60
INTERPOLATION TYPE: DIIS
INTERPOLATION STEPS: 2 (START) 1 (STEP)
LEVEL SHIFTS: 0.00 (CLOSED) 0.00 (OPEN)

Orbital guess generated from atomic densities. Full valence occupancy: 29 7

Molecular orbital dump at record 2100.2

Initial occupancy: 19 4

ITERATION DDIFF GRAD ENERGY 2-EL.EN. DIPOLE MOMENTS DIIS ORB.
1 0.000D+00 0.000D+00 -304.50104203 663.832930 0.00000 0.66098 -3.70496 0 start
2 0.000D+00 0.426D-02 -304.57252300 665.584343 0.00000 0.88274 -2.14760 1 diag
3 0.130D-01 0.326D-02 -304.62857045 664.832134 0.00000 0.66873 -2.82335 2 diag
4 0.695D-02 0.680D-03 -304.63292218 664.840859 0.00000 0.69620 -2.73012 3 diag
5 0.133D-02 0.202D-03 -304.63376381 664.980091 0.00000 0.71337 -2.76168 4 diag
6 0.694D-03 0.112D-03 -304.63396009 664.940834 0.00000 0.71128 -2.75080 5 diag
7 0.241D-03 0.480D-04 -304.63402429 664.972323 0.00000 0.71994 -2.76164 6 diag
8 0.134D-03 0.224D-04 -304.63403343 664.978362 0.00000 0.71999 -2.76403 7 diag
9 0.889D-04 0.584D-05 -304.63403438 664.979196 0.00000 0.72064 -2.76621 8 diag
10 0.216D-04 0.264D-05 -304.63403452 664.980619 0.00000 0.72080 -2.76744 9 orth
11 0.823D-05 0.108D-05 -304.63403455 664.980357 0.00000 0.72090 -2.76795 9 diag
12 0.357D-05 0.436D-06 -304.63403455 664.980555 0.00000 0.72094 -2.76814 0 orth

Final occupancy: 19 4

!RHF STATE 1.1 Energy -304.634034551625
Nuclear energy 226.06059664
One-electron energy -863.18490844
Two-electron energy 332.49027726
Virial quotient -1.00080914
!RHF STATE 1.1 Dipole moment 0.00000000 0.72094072 -2.76814472
Dipole moment /Debye 0.00000000 1.83232850 -7.03546126

!RHF expec <1.1|XX|1.1> -27.458313843647
!RHF expec <1.1|YY|1.1> -24.000522851761
!RHF expec <1.1|ZZ|1.1> -30.798073729289
!RHF expec <1.1|YZ|1.1> 2.083126849156

!RHF expec <1.1|QMXX|1.1> -0.059015553122
!RHF expec <1.1|QMYY|1.1> 5.127670934707
!RHF expec <1.1|QMZZ|1.1> -5.068655381586
!RHF expec <1.1|QMYZ|1.1> 3.124690273735
!RHF expec <1.1|QMRR|1.1> -82.256910424694

ELECTRON ORBITALS
=================

Orbital Occupation Energy Coefficients
1.1 2.00000 -20.67733 4 1s 1.00072
2.1 2.00000 -20.49985 5 1s 1.00065
3.1 2.00000 -11.37754 3 1s 1.00088
4.1 2.00000 -11.29466 1 1s 0.99857
5.1 2.00000 -11.28180 2 1s 0.99854
6.1 2.00000 -11.25466 6 1s 1.00071
7.1 2.00000 -1.52131 3 1s 0.29475 4 1s 0.77900 5 1s 0.36704
8.1 2.00000 -1.18862 2 1s -0.35027 2 3d0 -0.28094 3 1s -0.48568 3 1s 0.44021 3 2py -0.31323
4 2pz 0.33694 5 1s 0.61125 9 1s -0.31824
9.1 2.00000 -1.09858 1 1s 0.52464 1 1s 0.45378 2 1s 0.51407 2 2pz 0.43212 3 2py 0.25208
3 2pz 0.31515 4 1s -0.26230 5 1s 0.42197 6 1s -0.42810
10.1 2.00000 -1.03511 1 1s -0.27589 1 1s -0.68245 2 2pz -0.86087 3 1s 0.26241 3 2py 0.29105
3 2py -0.97037 3 2pz -0.33202 6 1s 0.68389 6 1s 0.67172 10 1s 0.27881
11 1s 0.39254
11.1 2.00000 -0.89349 1 1s 0.51461 2 1s -0.35249 2 1s -0.50808 2 2pz -0.32953 3 1s -0.30071
3 2pz 0.29608 3 2py -0.31132 3 2pz -0.25377 5 1s -0.25793 7 1s 0.31131
8 1s 0.33580
12.1 2.00000 -0.77974 1 1s -0.33218 2 1s -0.51907 2 2pz -0.30678 2 3d0 0.25582 3 1s 0.39371
3 2py -0.35984 3 2pz -0.56682 4 1s -0.27808 4 2py 0.42601 6 1s -0.25497
6 1s 0.54526 6 2py -0.26362 9 1s -0.29245 9 1s 0.41233 10 1s -0.26773
11 1s -0.25428
13.1 2.00000 -0.73556 1 2py -0.36063 2 2py -0.36384 2 2pz 0.54492 3 1s -0.45787 3 2pz 0.37447
3 2py 0.26739 3 2pz -0.32638 4 2py 0.33608 7 1s -0.34644 9 1s 0.38455
14.1 2.00000 -0.68542 1 2pz -0.45698 2 1s 0.43230 2 2pz 0.37506 3 1s -0.42810 3 2py -0.34695
3 2py 0.54782 4 2pz -0.29820 5 1s 0.25486 6 2py 0.26967 8 1s 0.30492
15.1 2.00000 -0.63734 1 1s 0.46077 1 2pz 0.47508 2 2py -0.28437 2 2pz 0.74678 3 1s -0.60932
3 2py -0.33196 3 2py 0.74699 4 2pz -0.27488 6 1s -0.30086 6 2py 0.32680
8 1s -0.53016 9 1s 0.31904
16.1 2.00000 -0.58887 1 2py -0.46762 2 2py 0.36808 2 2pz 0.41923 3 2py 0.38793 4 2py -0.28075
4 2pz -0.31509 5 2pz 0.29519 7 1s -0.48349 9 1s -0.47249 9 1s 0.26013
17.1 2.00000 -0.58371 4 2py 0.31102 6 2pz -0.62398 10 1s 0.68641 11 1s -0.47077
18.1 2.00000 -0.53708 1 1s 0.43182 2 2py 0.30541 2 2pz 0.26657 2 2pz 0.39053 3 2py -0.37415
3 2pz -0.28677 3 2py 0.32491 3 2pz 0.25981 4 2py 0.37687 4 2pz 0.25479
5 2pz -0.32424 6 1s -0.32901 6 2py 0.37244 8 1s 0.27088 9 1s -0.31250
19.1 2.00000 -0.39371 2 1s 0.36319 3 2py 0.28773 4 2py -0.31813 5 2py 0.84304 5 2pz -0.31959
6 1s -0.26677
20.1 0.00000 0.02259 1 1s -0.27014 1 1s -7.99858 1 2pz 0.31802 1 2pz 5.57076 1 2py 1.97613
1 2pz -3.31222 1 3d0 2.17814 1 3d2+ 1.39735 1 3d1- -1.44436 1 4f1- -0.31463
2 1s -6.26616 2 1s 3.42874 2 2pz 0.35846 2 2py -4.40093 2 2pz 7.65911
2 2py -2.53860 2 2pz -2.03894 2 3d0 6.96556 2 3d2+ 2.68508 2 3d1- 1.42005
2 4f1- 0.25191 2 4f2+ 0.26551 3 1s -11.09904 3 1s 19.27931 3 2py 4.13337
3 2pz -0.89806 3 2py 1.89275 3 2pz -0.63142 3 3d0 3.90738 3 3d2+ 1.29884
3 3d1- -4.01766 3 4f0 -0.58547 3 4f3- 0.25676 3 4f2+ -0.41476 4 1s -7.51374
4 2py 0.67243 4 2pz 0.44173 4 2py -0.51463 4 2pz 2.92047 4 3d1- -0.38966
5 1s -0.36762 5 1s -2.01984 5 2py 0.26661 5 2pz 0.29110 5 2py 0.65988
5 2pz 0.28398 6 1s 3.74877 6 1s -9.13888 6 2py -1.32939 6 2pz 0.40257
6 2py 1.66536 6 2pz -1.07617 6 3d0 -0.26788 7 1s 0.27369 7 1s 4.75204
7 2pz 1.90357 8 1s 2.31665 8 2pz 0.29208 8 2pz 0.92591 9 1s 7.92361
9 2py 1.00138 9 2pz 0.73577 10 1s 1.08659 10 2py -0.28370 10 2pz 0.64812
11 1s -0.37901 11 1s 0.65761 11 2py 0.47188 11 2pz 0.63099 11 2px -0.40623
21.1 0.00000 0.03573 1 1s -7.45585 1 1s -1.49495 1 2py 4.80266 1 2pz -3.55088 1 2py 1.85051
1 2pz 1.54795 1 3d0 2.03289 1 3d2+ 0.47670 1 3d1- 1.78932 1 4f0 0.29429
1 4f2+ 0.38502 2 1s -7.79262 2 1s 14.62794 2 2py -0.28293 2 2py -5.77802
2 2pz -11.09386 2 2py 1.70153 2 3d0 3.25280 2 3d2+ 0.46817 2 3d1- -1.10073
2 4f1- 0.28760 3 1s -5.06055 3 1s -3.52761 3 2py -12.48798 3 2pz -7.59375
3 2py 1.19287 3 2pz 3.93594 3 3d0 3.80635 3 3d2+ 2.13978 3 3d1- 2.95633
4 1s 0.82019 4 2pz -0.79820 4 3d0 -0.37115 5 1s 0.91978 5 2pz -0.25935
6 1s -0.47157 6 1s 8.56071 6 1s -10.69542 6 2py -0.33900 6 2py -10.76646
6 2pz -2.27151 6 2py 3.69128 6 2pz -0.46514 6 3d0 -1.46130 6 3d2+ -1.39531
6 3d1- 3.10350 7 1s -2.34471 7 2pz 0.26708 7 2py -1.43047 7 2pz -1.25265
7 3d0 -0.46311 7 3d1- -0.61124 8 1s -0.25346 8 1s -6.21424 8 2py -0.98241
8 2pz -1.00767 9 1s -0.44822 9 1s -1.42944 9 2py -0.33339 9 2pz -0.58698
10 1s 0.41682 10 1s 13.18556 10 2pz 0.29707 10 2py -1.19030 10 2pz -0.59953
10 3d1- 0.53775 11 1s 0.40773 11 1s 4.83830 11 2px 0.34094 11 2py -0.90490
11 2px -0.48390 11 3d1+ 0.33938
22.1 0.00000 0.04604 1 1s -19.12795 1 1s 20.84123 1 2pz -0.26453 1 2py 7.64503 1 2pz -8.70142
1 2py -0.56231 1 2pz 4.16664 1 3d0 1.89279 1 3d2+ -0.62064 1 3d1- 4.27342
2 1s 6.06482 2 1s -27.78454 2 2py 0.27178 2 2py 2.37001 2 2pz -14.08987
2 2py -7.11988 2 2pz 1.48108 2 3d0 9.92497 2 3d2+ 6.48735 2 3d1- -1.90061
2 4f1- 1.10733 2 4f3- 0.25322 2 4f2+ 0.26822 3 1s -7.56577 3 1s 25.02201
3 2py 0.30281 3 2py -5.33398 3 2pz -7.98015 3 2py 4.60878 3 2pz -1.05129
3 3d0 4.48790 3 3d2+ 1.80094 3 3d1- -4.90170 3 4f1- 0.98738 3 4f3- 0.81453
3 4f2+ 0.43423 4 1s 0.45327 4 1s -9.04571 4 2py 0.70817 4 2py -0.92773
4 2pz 1.69927 4 3d1- -0.56682 5 1s -0.39377 5 1s -0.88764 5 2pz 0.30213
6 1s 11.42064 6 1s -13.50898 6 2py -6.06367 6 2pz 1.05533 6 2py 2.58070
6 2pz 0.26194 6 3d0 -1.35077 6 3d2+ -1.26919 6 3d1- -0.59974 7 1s -0.46915
7 1s -3.26995 7 2py 0.29473 7 3d1- -0.35614 8 1s -0.52334 8 1s -12.53725
8 2py 0.26927 8 2pz -0.95942 8 3d1- 0.31144 9 1s 0.33948 9 1s 21.63604
9 2py 2.08677 9 3d2+ 0.44359 10 1s 2.15635 10 2py -0.46615 11 1s 4.12854
23.1 0.00000 0.06452 1 1s 2.99897 1 1s -0.39287 1 2py -7.73403 1 2pz -2.31144 1 2py -5.64137
1 2pz -3.71411 1 3d0 -6.21483 1 3d2+ -2.99556 1 3d1- -6.72017 1 4f1- -0.47182
1 4f0 -0.59009 1 4f2+ -0.44642 2 1s -5.78804 2 1s 5.28163 2 2py 6.59574
2 2pz -0.71743 2 2py 3.98891 2 2pz 4.87793 2 3d0 -10.61057 2 3d2+ -6.35217
2 3d1- -4.76026 2 4f0 0.41555 2 4f2+ 0.49343 3 1s 5.39920 3 1s 4.82743
3 2py -0.27862 3 2py -11.15624 3 2pz -3.74614 3 2py 3.69937 3 2pz -1.40943
3 3d0 -0.99409 3 3d1- 1.88931 4 1s -0.65517 4 1s 0.56902 4 2py -0.43163
4 2pz 0.56944 4 2py -0.43102 4 2pz 1.10545 4 3d1- 0.26288 5 1s -0.45656
6 1s -0.38393 6 1s 3.47563 6 1s -10.19601 6 2pz -0.33758 6 2py -6.64492
6 2pz -1.48072 6 2py 3.07956 6 2pz 2.46255 6 3d0 -0.80449 6 3d2+ -2.43632
7 1s -11.66853 7 2pz -0.29213 7 2py 2.07742 7 2pz 0.35572 7 3d1- 0.38396
8 1s 13.19819 8 2pz 0.27764 8 2py 1.30158 8 2pz 1.69634 9 1s -17.18235
9 2pz 0.35390 9 2py -1.99392 9 2pz 0.39564 10 1s 0.99297 10 2py -1.15221
10 2pz -2.15105 10 3d0 -0.31728 10 3d1- 0.32592 11 1s 0.57425 11 1s 7.48054
11 2pz -0.32587 11 2px 0.25230 11 2py -0.59299 11 2pz -1.55670 11 2px 0.61197
11 3d0 0.25172
24.1 0.00000 0.07430 1 1s -0.28285 1 1s 4.20906 1 1s -4.82339 1 2py -0.90455 1 2py -1.45800
1 2pz 1.25145 1 3d0 -5.10823 1 3d2+ -1.26568 1 3d1- -4.02919 1 4f0 -0.72968
1 4f2+ -0.34709 2 1s 3.02524 2 1s -14.21002 2 2py 0.32446 2 2py 9.38125
2 2pz 2.55557 2 2py -2.96092 2 2pz -4.42889 2 3d0 -7.27500 2 3d2+ -3.29293
2 3d1- 2.25602 2 4f0 -1.04477 3 1s -2.06445 3 1s 32.51985 3 2py -6.47634
3 2pz 5.23501 3 2py 4.08018 3 2pz 1.00041 3 3d0 -2.39434 3 3d2+ -2.18219
3 4f0 -0.35148 3 4f2+ 0.25134 4 1s -2.91170 4 2py -0.79466 4 2pz 1.55321
4 3d0 0.54479 4 3d1- 0.30647 5 2py 0.84770 5 2pz 0.27717 6 1s -0.33625
6 1s -4.38967 6 1s -17.54774 6 2py -0.32552 6 2py -3.92600 6 2pz 3.21814
6 2py 3.13999 6 2pz -5.56597 6 3d0 -0.33836 6 3d0 -1.40320 6 3d2+ 0.57036
6 3d1- 1.73034 7 1s 0.30924 7 1s -7.67241 7 2py -0.31178 7 2pz -0.26622
7 2py 0.55966 7 2pz -1.10928 7 3d2+ -0.26680 8 1s 11.45915 8 2py -0.25263
8 2py 1.05573 9 1s 0.66498 9 1s -4.65190 9 2py 0.33408 9 2pz 1.21676
10 1s 1.20814 10 1s 11.96486 10 2pz 0.36939 10 2py -1.22851 10 2pz 1.32478
11 1s -2.08741 11 2px 0.38571 11 2py 0.94103 11 2pz 2.81689 11 3d1- -0.26793
25.1 0.00000 0.08231 1 1s -0.61184 1 1s -10.53118 1 1s 5.70395 1 2py 0.41956 1 2pz 0.38424
1 2py 5.27374 1 2pz -1.86668 1 3d0 2.17391 1 3d2+ 1.25845 1 3d1- 0.87325
1 4f0 0.29551 2 1s -0.36446 2 1s -2.17700 2 1s -2.38841 2 2py -1.99410
2 2pz -4.54238 2 2py -8.52796 2 2pz 4.25040 2 3d0 3.98301 2 3d2+ 2.47171
2 3d1- -0.44004 2 4f1- 0.58243 2 4f0 -0.43941 3 1s -2.56904 3 1s 0.64828
3 2pz -4.21938 3 2py 4.34824 3 2pz -1.67176 3 3d0 1.03718 3 3d2+ 0.72051
3 3d1- -4.19942 3 4f1- 0.37234 3 4f0 -0.52425 3 4f3- 0.26456 4 1s -3.68373
4 2py 0.76832 4 2pz -0.49097 4 2pz 0.43628 4 3d0 0.28479 4 3d2+ -0.31032
5 2py -0.62999 6 1s -0.40838 6 1s 0.31579 6 1s -3.38503 6 2pz -0.39788
6 2py -0.40435 6 2pz -0.89398 6 2py 0.34435 6 2pz 3.47214 6 3d2+ -1.44164
6 3d1- -2.24335 7 1s 0.70420 7 1s 7.81287 7 2py -0.37338 7 2pz 0.25999
7 2py -0.93928 7 2pz 2.21657 7 3d0 0.32777 8 1s -3.21588 8 2py -1.16951
9 1s 0.61689 9 1s 8.20395 9 2py 0.46057 9 2py 2.47277 9 2pz -0.86798
10 1s -7.29507 10 2pz -0.39131 10 3d1- -0.33644 11 1s 0.97384 11 1s 7.37747
11 2py -0.29416 11 2pz -0.30738 11 2px 0.42947 11 2py -1.16628 11 2pz -1.98862
11 2px 1.19076 11 3d1- 0.28256
26.1 0.00000 0.09525 1 1s 16.22637 1 1s -13.57777 1 2py 0.47659 1 2pz 8.43154 1 2py 9.27961
1 2pz 5.65651 1 3d1- 0.31219 1 3d0 1.44796 1 3d2+ 1.95736 1 3d1- 1.08137
1 4f0 -0.42505 2 1s 3.08649 2 1s -13.20966 2 2py -1.67602 2 2pz 19.68216
2 2py -7.14235 2 2pz -18.50832 2 3d0 4.08728 2 3d2+ 2.33491 2 3d1- 8.92050
2 4f1- -0.33786 2 4f0 -0.78141 2 4f2+ -0.87081 3 1s -11.87828 3 1s 40.81756
3 2py 15.54623 3 2pz 13.40238 3 2py 2.45182 3 2pz -1.92946 3 3d2+ -2.41642
3 3d1- -0.34049 3 4f0 -0.56315 3 4f3- -0.47596 3 4f2+ -0.36663 4 1s -0.26600
4 1s -9.20432 4 2pz -0.68819 4 2py -2.86736 4 2pz -1.63950 5 1s 3.78180
5 2py -0.32914 5 2pz -0.26625 5 2py -0.58370 5 2pz -1.07198 6 1s -0.25662
6 1s -15.11111 6 1s -12.99032 6 2py 8.40028 6 2pz -3.46954 6 2py -2.54604
6 2pz 7.68584 6 3d0 1.61036 6 3d2+ 1.11073 6 4f1- 0.28748 6 4f3- -0.35043
7 1s 0.63418 7 1s 9.86797 7 2py -0.31102 7 2py -2.54933 8 1s -0.43460
8 1s -0.67534 8 2py -0.26990 8 2pz -0.31067 8 2py -0.71884 8 2pz -2.16018
8 3d0 -0.36250 9 1s 0.34360 9 1s 7.68222 9 2py 0.25172 9 2pz -0.39162
9 2py 1.35669 9 2pz 1.88426 9 3d0 -0.29056 10 1s -0.70557 10 1s -8.89084
10 2py 3.42508 10 2pz -1.62486 11 1s 0.89727 11 1s 1.81117 11 2pz -0.52755
11 2py 1.83774 11 2pz -3.14205 11 3d0 0.26485 11 3d1+ -0.32212
27.1 0.00000 0.10261 1 1s 0.29357 1 1s 7.99722 1 1s 24.35974 1 2py 0.76072 1 2pz 3.02007
1 2py -1.59325 1 2pz -2.83813 1 3d0 5.60674 1 3d2+ 2.26299 1 3d1- 2.52321
1 4f1- -0.33143 1 4f0 0.57935 1 4f2+ 0.64891 2 1s 0.29785 2 1s 16.77776
2 2py -17.28787 2 2pz 16.40768 2 2py -13.24400 2 2pz 17.70039 2 3d0 12.01380
2 3d2+ 4.68252 2 3d1- -1.05201 2 4f1- -1.09797 2 4f0 1.46497 2 4f3- -0.26226
2 4f2+ 0.30391 3 1s 0.92232 3 1s 3.17212 3 2py 28.44999 3 2pz -1.05796
3 2py 32.91745 3 2pz 10.61367 3 3d0 6.26697 3 3d2+ 4.48857 3 3d1- -7.30117
3 4f1- -0.34740 3 4f0 -0.76562 3 4f3- -0.85065 3 4f2+ -0.97110 4 1s -0.52655
4 1s -9.32662 4 2pz -0.35996 4 2py -3.73182 4 2pz -0.41030 5 1s -0.33967
5 1s 2.17076 5 2py -0.32282 5 2py -0.51404 5 2pz -0.94822 6 1s -0.44737
6 1s -11.48529 6 1s -39.83288 6 2py 6.16270 6 2pz 2.07799 6 2py -3.55845
6 2pz -5.83734 6 3d0 0.92932 6 3d2+ 2.85765 6 3d1- -3.54383 7 1s -0.40439
7 1s 4.64480 7 2py 0.31264 7 2pz 0.28478 7 2py 1.45935 7 2pz 1.82914
7 3d2+ 0.41856 8 1s -11.37178 8 2py 0.27188 8 2py -0.66864 8 2pz 0.44704
8 3d2+ -0.31673 8 3d1- 0.28253 9 1s 10.12045 9 2py 2.77382 9 3d0 -0.31711
9 3d1- 0.32338 10 1s -2.68742 10 2pz 0.26579 10 2py 1.51664 10 2pz 2.27889
10 3d0 0.60192 11 1s 1.91778 11 2py 0.35899 11 2py 4.38711 11 2pz 0.69728
11 2px 2.02899 11 3d2- 0.48153
28.1 0.00000 0.11241 1 1s -0.32234 1 1s -7.72989 1 1s 23.39765 1 2pz 0.50047 1 2py 0.54377
1 2pz 2.23896 1 2py -1.62160 1 2pz -5.33260 1 3d1- -0.25484 1 3d0 2.49189
1 3d2+ -0.32643 1 3d1- 0.31640 2 1s -0.35078 2 1s -2.71343 2 1s -15.76342
2 2pz 0.36731 2 2py 2.03010 2 2pz 2.93075 2 2py -8.80223 2 2pz 19.09084
2 3d0 7.65716 2 3d2+ 3.15878 2 3d1- -2.06756 2 4f1- 0.51186 2 4f0 0.90561
2 4f2+ 0.31714 3 1s 0.46867 3 1s -0.57361 3 1s 24.22472 3 2pz 0.46114
3 2py 9.58247 3 2pz 0.44048 3 2py 16.05462 3 2pz -11.50296 3 3d0 0.64054
3 3d2+ 0.61049 3 3d1- 0.49823 3 4f0 0.55349 4 1s -0.62208 4 1s -4.12302
4 2py -1.07692 4 2py -0.29388 4 2pz 7.23334 4 3d0 -1.24767 4 4f1- -0.28905
5 1s 1.53228 5 2py -0.43406 5 2pz -0.67073 5 2py 1.15177 5 2pz -0.55182
5 3d0 0.26548 6 1s -5.23099 6 1s -31.49143 6 2py 1.57628 6 2pz 1.43596
6 2py 0.59231 6 2pz 0.98359 6 3d0 0.44907 6 3d2+ 1.43164 6 3d1- 1.62570
7 1s 2.69069 7 2py 0.62293 7 2pz 3.19258 8 1s 0.83904 8 1s -1.24049
8 2pz 0.61787 8 2pz 2.80064 8 3d0 0.36499 9 1s 12.92759 9 2py 1.48713
9 2pz -0.46797 9 3d2+ 0.33560 10 1s 0.44670 10 1s 5.03440 10 2py 1.68349
10 2pz 3.18889 11 1s -1.77360 11 2py 1.90513 11 2pz 1.11755 11 2px -0.80403
11 3d1- -0.25931
29.1 0.00000 0.12999 1 1s -0.35543 1 1s 20.64861 1 1s -30.73796 1 2py -0.54969 1 2pz 0.93693
1 2py -5.73938 1 2pz 19.97502 1 2py 4.93462 1 2pz -3.00700 1 3d0 0.34772
1 3d1- -0.33564 1 3d0 3.54982 1 3d2+ 2.82365 1 3d1- -5.26975 1 4f0 -0.49426
2 1s -0.49762 2 1s -23.46302 2 1s 22.06374 2 2py -0.56655 2 2pz 0.71365
2 2py -14.41356 2 2pz 31.82536 2 2py -1.07892 2 2pz -14.01959 2 3d1- 0.25782
2 3d0 8.58019 2 3d2+ 2.08689 2 3d1- 6.00051 2 4f1- -0.37679 3 1s -0.61472
3 1s -25.92491 3 1s 26.03685 3 2py 11.97280 3 2pz 2.62902 3 2pz 7.94283
3 3d0 7.27384 3 3d2+ 2.20713 3 3d1- -5.53706 3 4f1- -0.71609 3 4f0 -1.65248
3 4f2+ -1.24467 4 1s -0.59470 4 1s -10.00690 4 2py 1.29460 4 2pz 0.37065
4 2py -1.26825 4 2pz 1.27927 4 3d0 0.43615 4 3d2+ -0.36537 4 3d1- -0.33423
5 1s -1.26899 5 1s -3.26420 5 2py 0.34508 5 2pz 0.72706 5 2py 0.67848
5 2pz 0.74270 6 1s -0.59246 6 1s 0.44001 6 1s -11.49249 6 2pz 0.55722
6 2py -2.18011 6 2pz 1.41050 6 2py 1.95481 6 2pz -4.57955 6 3d1- 0.26392
6 3d0 -0.35305 6 3d2+ -0.33588 6 3d1- -0.26576 6 4f0 -0.29248 7 1s 1.12244
7 1s 12.09677 7 2py -0.55711 7 2py -2.09883 7 2pz 3.34043 7 3d1- -0.46593
8 1s 0.67552 8 1s 12.60168 8 2pz 0.47694 8 2py 0.70336 8 2pz 1.76586
8 3d0 -0.38183 8 3d1- 0.30333 9 1s -0.37874 9 1s 2.34991 9 2py 0.72828
9 2pz 2.25002 10 1s 0.70277 10 1s 6.17925 10 2py -0.42734 10 2pz 0.57795
10 2py -1.67356 10 2pz 1.54941 10 3d0 0.26075 11 1s -1.03521 11 1s -0.55902
11 2py 0.30961 11 2pz 0.32702 11 2px -0.42779 11 2py 1.40029 11 2pz 1.39558
11 2px -1.07779 11 3d1+ 0.35473
30.1 0.00000 0.13946 1 1s 0.32966 1 1s -19.67435 1 1s 3.96578 1 2py -0.45021 1 2pz -0.34880
1 2py 7.58860 1 2pz -11.14521 1 2py 3.21821 1 2pz 3.63394 1 3d0 4.80818
1 3d2+ 0.62970 1 3d1- 5.61664 1 4f1- 0.37208 1 4f0 0.77173 1 4f2+ 0.74392
2 1s 0.33365 2 1s -13.24106 2 1s 24.27348 2 2py -0.80994 2 2pz -0.31512
2 2py -12.61821 2 2pz -27.27918 2 2py 2.82511 2 2pz 1.23864 2 3d0 7.21448
2 3d2+ 2.16902 2 3d1- -4.63216 2 4f1- 0.76263 3 1s -5.30950 3 1s -11.58682
3 2py -0.36856 3 2py -24.91165 3 2pz -20.61157 3 2py 2.91616 3 2pz 7.65798
3 3d0 7.53898 3 3d2+ 4.76523 3 3d1- 4.96047 3 4f3- 0.64927 4 1s 1.24735
4 2pz -0.27556 4 2py -0.83322 4 2pz -2.39320 4 3d0 -0.90077 5 1s 0.69942
5 1s 3.21969 5 2py -0.39798 5 2pz -0.42908 5 2pz -0.86261 6 1s -0.86376
6 1s 18.58209 6 1s -19.31822 6 2py -0.83578 6 2py -21.89942 6 2pz -3.22990
6 2py 4.49107 6 2pz -1.11208 6 3d1- 0.25928 6 3d0 -3.06355 6 3d2+ -3.30189
6 3d1- 4.57501 6 4f1- -0.35513 6 4f0 -0.39331 7 1s 0.39507 7 1s -0.42718
7 2pz 0.61406 7 2py -3.80619 7 2pz -2.52407 7 3d0 -0.81406 7 3d1- -1.05550
8 1s -1.01735 8 1s -20.77265 8 2pz -0.69856 8 2py -2.97416 8 2pz -3.17288
9 1s -1.31220 9 1s -2.29526 9 2py -0.63224 9 2py -1.91767 9 2pz -1.91560
10 1s 1.10593 10 1s 23.79156 10 2pz 0.68986 10 2py -2.66403 10 2pz -0.39208
10 3d1- 0.69144 11 1s 0.82589 11 1s 10.65850 11 2px 0.69122 11 2py -1.26650
11 2px -0.37780 11 3d0 0.45065 11 3d1+ 0.63013
31.1 0.00000 0.15358 1 1s 32.32634 1 1s -41.11992 1 2py -0.28917 1 2pz 0.38740 1 2py -13.35355
1 2pz 14.03055 1 2py 0.83925 1 2pz -5.21648 1 3d2+ 0.25085 1 3d0 -2.99258
1 3d2+ 2.17098 1 3d1- -7.23565 1 4f3- -0.40213 2 1s 0.54523 2 1s -7.17243
2 1s 47.07435 2 2py -0.62684 2 2pz 0.33812 2 2py -5.33790 2 2pz 19.94906
2 2py 13.13847 2 2pz -4.55186 2 3d0 -19.41806 2 3d2+-12.61863 2 3d1- 3.06644
2 4f1- -2.00588 2 4f3- -0.53412 3 1s 0.55586 3 1s 21.24523 3 1s -38.82432
3 2py -0.45501 3 2py 7.09509 3 2pz 15.48860 3 2py -11.60401 3 2pz -0.95777
3 3d0 -8.85003 3 3d2+ -3.90318 3 3d1- 9.02112 3 4f1- -1.31092 3 4f3- -1.31348
3 4f2+ -0.73170 4 1s -1.16478 4 1s 13.00085 4 2py -1.26112 4 2py 1.66033
4 2pz -3.17393 4 3d0 -0.45667 4 3d1- 0.82480 5 1s 0.96702 5 1s 3.22406
5 2py -0.28769 5 2pz -0.62457 5 2py -0.44829 5 2pz -0.92467 6 1s -19.69856
6 1s 27.09730 6 2py 0.27100 6 2pz -0.43992 6 2py 12.99774 6 2pz -3.54776
6 2py -3.59607 6 2pz 2.71915 6 3d0 2.85051 6 3d2+ 2.79684 6 3d1- 1.49543
7 1s 0.74083 7 1s 7.11730 7 2py -0.48116 7 2pz -1.17569 7 3d1- 0.86742
8 1s 0.74351 8 1s 21.31751 8 2py -1.63181 8 2pz 1.20409 8 3d0 -0.27419
8 3d2+ 0.28613 8 3d1- -0.69324 9 1s -0.86774 9 1s -43.24102 9 2py -0.60882
9 2pz -0.31106 9 2py -4.79969 9 2pz -1.13113 9 3d2+ -0.84759 9 3d1- -0.48380
10 1s -0.83729 10 1s -7.76917 10 2py 0.29574 10 2pz -0.52390 10 2py 2.19069
10 2pz -1.78910 10 3d0 -0.28605 11 1s -7.32859 11 2pz -0.64685 11 3d0 -0.36939
11 3d1+ -0.47056
32.1 0.00000 0.15749 1 1s 0.45761 1 1s 21.93515 1 1s 7.12773 1 2py -0.63425 1 2py -8.81626
1 2pz 9.07617 1 2py 1.60975 1 2pz 1.43799 1 3d0 -1.01420 1 3d2+ -1.83884
1 3d1- -0.99627 1 4f1- 0.41690 1 4f0 -0.40498 1 4f3- 0.39274 1 4f2+ -0.93010
2 1s -0.35089 2 1s 2.60687 2 1s -16.84957 2 2py -0.46519 2 2py -1.53142
2 2pz 24.17454 2 2py 2.84658 2 2pz -2.89576 2 3d0 -0.39735 2 3d0 -2.32726
2 3d2+ 2.40294 2 3d1- 1.69370 2 4f1- -0.41172 2 4f0 0.66325 2 4f3- 0.46609
2 4f2+ -0.43518 3 1s 1.10397 3 1s -23.04344 3 2py 23.89394 3 2pz 0.92907
3 2py -8.70864 3 2pz -1.64709 3 3d0 0.31375 3 3d1- 0.33414 3 3d0 -6.19950
3 3d2+ -2.10401 3 3d1- -5.31737 3 4f1- -1.03091 3 4f0 -0.45614 3 4f3- -0.56746
4 1s 1.14842 4 1s 8.36293 4 2py -0.35296 4 2pz -0.78216 4 2py 0.61398
4 2pz -1.38243 4 3d0 0.91618 4 3d2+ 0.29374 4 3d1- 0.62518 5 1s -1.25298
5 2py -0.34158 5 2pz 0.78145 6 1s 0.71261 6 1s -12.93218 6 1s 29.05466
6 2pz 0.25534 6 2py 11.70167 6 2pz 5.89713 6 2py -3.94434 6 2pz -0.69431
6 3d0 2.27489 6 3d2+ -0.53141 6 3d1- -7.94512 6 4f1- -0.28060 6 4f3- 0.60985
6 4f2+ -0.80775 7 1s 0.53714 7 1s 8.49136 7 2py -0.33693 7 2py -3.10820
7 2pz 2.16184 7 3d0 0.60471 8 1s 2.31849 8 2py -0.40335 8 2pz -0.35891
8 2py -0.79809 8 3d1- -0.25879 9 1s -0.62266 9 1s -0.82661 9 2py -0.44484
9 2py -3.22137 9 2pz 0.60139 9 3d2+ 0.36387 9 3d1- 0.29408 10 1s -19.22635
10 2py 0.38677 10 2py -0.35224 10 3d2+ -0.31934 10 3d1- -0.79169 11 1s -0.86456
11 1s -2.95863 11 2pz 0.50298 11 2px -0.75517 11 2py 0.82300 11 2pz 0.49020
11 2px -0.39021 11 3d0 -0.46742 11 3d1- 0.39334 11 3d2- 0.36225
33.1 0.00000 0.16416 1 1s 19.90291 1 1s 18.54666 1 2py -11.77896 1 2pz 3.94129 1 2py -4.46776
1 2pz -4.01768 1 3d0 -5.18574 1 3d2+ -3.43685 1 3d1- -3.41120 1 4f0 -0.42797
1 4f2+ -0.93425 2 1s -3.70672 2 1s 10.24667 2 2py 8.16895 2 2pz 12.64444
2 2py -2.96118 2 2pz 17.58786 2 3d1- -0.37401 2 3d0 -16.51491 2 3d2+-10.00664
2 4f1- -0.76257 2 4f0 0.62656 2 4f2+ -1.02394 3 1s 0.41408 3 1s 9.04447
3 1s -11.64920 3 2py -0.35302 3 2py 0.63408 3 2pz 15.99156 3 2py 13.48893
3 2pz -4.62501 3 3d0 0.35233 3 3d0 -5.50524 3 3d2+ -2.84840 3 3d1- 13.02986
3 4f1- -0.56897 3 4f0 0.34949 3 4f3- -1.42614 3 4f2+ -0.99584 4 1s 0.82938
4 1s 28.53324 4 2py -0.89541 4 2pz 1.92190 4 2py 3.97761 4 2pz 5.54854
4 3d0 0.66483 4 3d2+ 0.36915 4 3d1- 1.04545 5 1s -2.13533 5 1s -14.97389
5 2py 0.49568 5 2pz 1.56818 5 2py 1.34293 5 2pz 4.12190 6 1s -0.51184
6 1s -16.34265 6 1s -17.36688 6 2pz -0.55701 6 2py 8.60168 6 2pz -12.38458
6 2pz -0.42142 6 3d2+ -0.26119 6 3d0 0.52121 6 3d1- 2.05660 6 4f0 0.39488
6 4f3- -0.95162 7 1s -0.33207 7 1s -1.57184 7 2pz -0.35657 7 2py 1.71537
7 2pz 3.39086 7 3d0 0.63976 7 3d2+ -0.33982 7 3d1- 0.66633 8 1s 10.09240
8 2py 2.15009 8 2pz 1.36306 8 3d1- -0.27740 9 1s -27.05890 9 2pz -0.42613
9 2py -1.49186 9 2pz 1.44490 9 3d2+ -0.66147 10 1s -0.69724 10 1s -11.40050
10 2pz -0.48169 10 2py 3.34973 10 2pz 2.30926 10 3d0 -0.68906 10 3d2+ 0.53992
10 3d1- -1.15055 11 1s 1.16595 11 1s 4.77722 11 2py 0.36104 11 2px 0.50822
11 2py -1.52176 11 2px 1.52829 11 3d2- -0.50864
34.1 0.00000 0.17519 1 1s 1.15122 1 1s -7.70470 1 2py 3.10457 1 2pz -2.46654 1 2py 1.38068
1 2pz 2.61618 1 3d0 -0.42231 1 3d0 3.39851 1 3d2+ 1.93037 1 3d1- 8.66595
1 4f1- 1.36546 1 4f0 0.99997 1 4f2+ 0.48376 2 1s 0.56724 2 1s 7.68996
2 1s 25.29203 2 2py 0.43382 2 2pz -0.56380 2 2py -0.95324 2 2pz -8.38123
2 2py 1.27562 2 2pz -4.21244 2 3d1- -0.26447 2 3d0 -6.88113 2 3d2+ -4.53826
2 3d1- 2.88388 2 4f1- -0.90454 2 4f2+ -1.09518 3 1s 22.88014 3 1s -41.61801
3 2py 2.91599 3 2pz 16.11980 3 2py -4.27067 3 2pz 9.41936 3 3d0 -5.64443
3 3d2+ -3.14483 3 3d1- 15.01791 3 4f1- -0.79635 3 4f0 1.71620 3 4f3- -0.98766
4 1s -0.27007 4 1s 20.49552 4 2py -1.29303 4 2pz -0.81747 4 2py 3.55398
4 2pz -7.47280 4 3d0 -0.69427 4 3d1- 0.29263 5 1s 0.37509 5 1s 2.55713
5 2py -0.51137 5 2py -1.60199 5 3d1- 0.27101 6 1s -16.83431 6 1s 21.64489
6 2pz 0.54234 6 2py 14.82667 6 2pz -0.73362 6 2py -3.45467 6 2pz -5.11695
6 3d2+ 0.36010 6 3d0 1.59700 6 3d2+ 6.56533 6 3d1- 6.13670 6 4f0 0.49391
6 4f3- -0.56027 6 4f2+ 0.85001 7 1s 8.78518 7 2py -0.97254 7 2pz -3.00085
7 3d0 -0.62244 7 3d2+ 0.29427 7 3d1- -0.38851 8 1s 0.95528 8 1s -10.66267
8 2py 0.65460 8 2pz -0.25199 8 2py 1.92000 8 2pz -1.73767 8 3d2+ -0.46549
9 1s -12.55166 9 2py 0.41216 9 2pz -0.76741 9 2py 1.17411 9 2pz -2.24459
9 3d2+ -0.64005 9 3d1- -0.42323 10 1s 8.10895 10 2py -0.53172 10 2py 1.84494
10 2pz 5.57223 10 3d1- -0.66592 11 1s -0.87862 11 1s -21.82709 11 2py 0.28324
11 2pz 2.15771 11 2px -0.95440 11 3d2- -0.27556 11 3d1+ -0.67479
35.1 0.00000 0.17997 1 1s 0.45805 1 1s 19.45604 1 1s 13.10889 1 2py 0.25356 1 2pz 0.67276
1 2py -9.34979 1 2pz 4.56258 1 2py -8.03559 1 2pz -2.06049 1 3d0 -0.47920
1 3d2+ -0.38001 1 3d1- -0.48132 1 3d0 -9.61327 1 3d2+ -6.72982 1 3d1- -9.23763
1 4f0 -0.84022 1 4f2+ -1.16386 2 1s 0.26658 2 1s -7.25378 2 1s 5.79662
2 2py -0.44310 2 2py 0.42677 2 2pz 13.21561 2 2py 5.33697 2 2pz 1.57201
2 3d0 -0.74133 2 3d2+ -0.31768 2 3d1- -0.31604 2 3d0 -16.27378 2 3d2+ -8.18780
2 3d1- -6.88522 2 4f1- -0.67221 2 4f0 1.04440 2 4f3- 0.31719 3 1s 0.31749
3 1s 14.45044 3 1s -0.57760 3 2py -0.54155 3 2py -4.59409 3 2pz 0.52026
3 2py 8.17815 3 2pz 10.77927 3 3d0 0.27742 3 3d0 -1.24246 3 3d2+ 0.97371
3 3d1- 1.55953 3 4f1- -0.63056 3 4f3- -0.80919 4 1s -2.17434 4 1s -7.13005
4 2py -1.03761 4 2pz -0.50565 4 2py -3.10443 4 2pz -6.48565 4 3d0 -0.51466
5 1s 1.07143 5 1s 9.06198 5 2py -0.81296 5 2pz -0.79775 5 2py -1.76413
5 2pz -2.44724 5 3d1- 0.32067 6 1s -0.56932 6 1s -1.14495 6 1s -17.67119
6 2py -2.60246 6 2py 1.29466 6 2pz -0.94939 6 3d2+ -0.78633 7 1s -1.36433
7 1s -23.59579 7 2py 0.60811 7 2pz -0.71952 7 2py 5.27314 7 2pz 2.65730
7 3d2+ -0.32201 7 3d1- 0.28693 8 1s 1.24802 8 1s 26.46735 8 2pz 0.70074
8 2py 5.99269 8 2pz 4.88699 9 1s -1.69861 9 1s -33.46385 9 2py -0.54880
9 2py -5.46860 9 2pz 0.81727 9 3d2+ -0.36627 9 3d1- 0.67958 10 1s 0.26785
10 2py 0.26668 10 2py 0.66787 10 2pz 1.43077 10 3d2+ 0.28844 11 1s 4.41737
11 2pz -0.30177 11 2pz -1.29695 11 2px 0.45154 11 3d0 0.29174
36.1 0.00000 0.19144 1 1s 0.82771 1 1s 34.06750 1 1s 29.29041 1 2pz 0.33898 1 2py -7.18974
1 2pz 22.13694 1 2py 7.22184 1 2pz 1.58011 1 3d0 0.31402 1 3d0 13.63452
1 3d2+ 5.15875 1 3d1- 5.11807 1 4f0 1.03146 1 4f3- 0.79026 1 4f2+ 0.47593
2 1s -14.96866 2 1s -2.62845 2 2py -19.43094 2 2pz 45.52156 2 2py -10.66823
2 2pz 2.12529 2 3d1- 0.47475 2 3d0 20.04506 2 3d2+ 8.92937 2 3d1- 9.74693
2 4f1- -1.32635 2 4f0 1.76605 2 4f2+ -1.30686 3 1s -0.43315 3 1s -20.47706
3 1s 3.60902 3 2py 44.15295 3 2pz 17.57084 3 2py 11.02712 3 2pz 7.39616
3 3d0 -0.48283 3 3d2+ -0.28682 3 3d0 4.12380 3 3d2+ 1.66048 3 3d1- -3.46026
3 4f1- -0.51492 3 4f0 0.57173 3 4f3- -1.18822 3 4f2+ -0.64041 4 1s -13.66041
4 2pz -0.89464 4 2py -2.04973 4 2pz -3.86353 4 3d0 -1.59011 4 3d1- -1.22689
4 4f0 0.32055 5 1s 0.78265 5 1s 9.86747 5 2pz -0.65929 5 2pz -3.59052
5 3d2+ -0.37760 5 3d1- -0.25061 6 1s -20.56679 6 1s -27.02136 6 2py 0.65443
6 2pz -0.28472 6 2py 22.27757 6 2pz -3.64392 6 2py -2.60685 6 2pz 2.33520
6 3d0 2.22349 6 3d2+ 4.82541 6 3d1- 0.46385 6 4f3- -0.30490 6 4f2+ 1.00282
7 1s 0.52867 7 1s 33.43690 7 2pz 0.44770 7 2py -0.89521 7 2pz 10.16686
7 3d0 1.30815 7 3d2+ 0.56226 8 1s -0.76899 8 1s -19.31606 8 2py 0.40587
8 2pz -0.25726 8 2py -1.57793 8 2pz -0.42833 8 3d1- 0.47901 9 1s 24.51614
9 2pz -0.61450 9 2py 4.42322 9 2pz 1.56669 9 3d0 -0.59492 10 1s -1.39166
10 1s -15.86726 10 2pz -0.58154 10 2py 7.72666 10 2pz 4.35353 10 3d1- -0.74102
11 1s 0.43165 11 1s -3.94588 11 2py -0.29928 11 2px 0.41941 11 2py 1.50508
11 2pz -0.58353 11 2px -0.81824 11 3d1- 0.28749 11 3d2- 0.31496
37.1 0.00000 0.19898 1 1s -21.26437 1 1s 10.61228 1 2py 0.30406 1 2pz 0.35763 1 2py 3.66968
1 2pz -7.27083 1 2py -4.73792 1 2pz -7.15304 1 3d1- -0.46227 1 3d0 5.85683
1 3d2+ 0.76516 1 3d1- 1.36054 1 4f0 1.75243 1 4f2+ 1.17831 2 1s -0.31401
2 1s -32.11726 2 1s 45.15718 2 2py -11.90086 2 2pz -31.17531 2 2py 3.12528
2 2pz 20.32294 2 3d0 1.73459 2 3d2+ -3.13050 2 3d1--11.79417 2 4f1- -0.29260
2 4f0 1.79203 2 4f3- -0.80898 2 4f2+ 0.74223 3 1s -0.42681 3 1s 13.53885
3 1s -86.52485 3 2py -0.25817 3 2py -20.73806 3 2pz -25.84737 3 2py -1.55727
3 2pz 0.66655 3 3d2+ 0.25729 3 3d0 3.38087 3 3d2+ 7.02674 3 3d1- 9.02673
3 4f1- -1.80110 3 4f0 0.90648 3 4f3- 0.31898 3 4f2+ -0.34897 4 1s -0.52617
4 1s 26.05135 4 2py -0.27898 4 2py 5.35778 4 2pz 1.83505 4 3d0 -0.96951
4 3d2+ 0.27999 4 3d1- 0.31959 5 1s -5.11017 5 2py -0.38190 5 2pz 1.20203
5 3d0 0.25043 6 1s 22.34885 6 1s 26.82201 6 2py -16.53134 6 2py 0.41346
6 2pz -1.44905 6 3d2+ -0.26308 6 3d1- 0.33345 6 3d2+ -3.14885 6 3d1- 2.03500
6 4f1- -0.32153 6 4f0 -0.95388 6 4f3- 0.99971 6 4f2+ -0.47862 7 1s -0.71747
7 1s -9.45977 7 2py 0.72252 7 2pz 0.71699 7 2py 1.32576 7 3d0 -0.76853
7 3d2+ 0.27226 7 3d1- -1.02172 8 1s 1.17310 8 1s -6.50661 8 2py 0.93721
8 2pz 0.67353 8 2py -1.24756 8 2pz 4.41111 8 3d0 0.60873 8 3d2+ -0.25634
9 1s 0.69279 9 1s -7.31927 9 2py 0.32105 9 2pz 0.35965 9 2py 2.97745
9 2pz -0.95884 9 3d2+ -0.72441 9 3d1- 0.33481 10 1s -0.29530 10 1s 16.45316
10 2py 0.55606 10 2py -5.43006 10 2pz -3.11440 10 3d2+ -0.70619 10 3d1- 1.76025
11 1s -1.00741 11 1s 3.26514 11 2py -0.44322 11 2px -0.36818 11 2py -2.19842
11 2pz -1.28264 11 2px -2.55364 11 3d0 0.51277 11 3d1+ 0.57104
38.1 0.00000 0.20187 1 1s -0.44019 1 1s -23.98719 1 1s 14.46557 1 2py -0.78531 1 2py -1.82046
1 2pz -1.39270 1 2py 5.22550 1 2pz -0.68435 1 3d1- -0.50182 1 3d0 6.65245
1 3d2+ 1.49785 1 3d1- 7.13466 1 4f1- 0.43582 1 4f0 0.64234 2 1s -0.44459
2 1s 0.34997 2 1s -19.03241 2 2pz 0.29304 2 2py -2.84016 2 2pz -12.29355
2 2py -7.00440 2 2pz 2.61024 2 3d0 -0.36092 2 3d1- -0.26113 2 3d0 9.05745
2 3d2+ 6.77764 2 3d1- -3.34824 2 4f1- 1.13499 2 4f0 0.84281 2 4f3- 0.44244
2 4f2+ 1.14616 3 1s 11.37816 3 1s 5.43287 3 2py 0.47985 3 2pz -0.46776
3 2py 9.47302 3 2pz -8.53424 3 2py 3.37658 3 2pz -1.15880 3 3d2+ -1.94654
3 3d1- -3.54305 3 4f1- 1.17997 3 4f0 0.48989 3 4f3- 0.72603 3 4f2+ 0.63677
4 1s 0.26519 4 1s -8.66565 4 2pz -0.97516 4 2py -1.04594 4 2pz -5.63239
4 3d0 -0.64135 4 3d1- -0.68168 5 1s 1.19170 5 1s 4.77730 5 2py -0.78392
5 2pz -0.47675 5 2py -3.13933 5 2pz -1.09425 5 3d1- 0.27415 6 1s -0.36211
6 1s -8.07835 6 1s 11.42582 6 2pz -0.73343 6 2py 13.86171 6 2pz -6.66247
6 2py -2.17254 6 2pz 6.78613 6 3d0 0.36418 6 3d2+ -0.26446 6 3d1- -0.47553
6 3d0 1.57143 6 3d2+ -2.50135 6 3d1- -7.71129 6 4f1- 0.37199 6 4f0 0.34217
6 4f3- -0.47181 7 1s 0.73406 7 1s 24.38118 7 2py -0.44983 7 2py -3.55233
7 2pz 2.68391 7 3d0 0.47944 7 3d1- 0.74726 8 1s 0.65410 8 1s -17.93539
8 2py -1.61299 8 2pz 0.59205 8 3d0 0.48899 8 3d2+ -0.30492 8 3d1- 0.45931
9 1s 16.04487 9 2pz 0.50601 9 2py 1.40981 9 2pz -4.96439 9 3d2+ 0.32085
9 3d1- -0.52279 10 1s -1.26039 10 1s -38.12824 10 2pz -0.66586 10 2py 1.96916
10 2pz -0.51749 10 3d0 -0.47071 10 3d1- -2.35846 11 1s 2.17475 11 1s 10.26247
11 2pz -0.80084 11 2px 0.43564 11 2py -2.61894 11 2pz -5.96270 11 2px 4.96362
11 3d1- 0.81257 11 3d2- -0.32557 11 3d1+ -0.51180
39.1 0.00000 0.21703 1 1s 0.62800 1 1s -4.86416 1 1s 47.61959 1 2pz 0.65730 1 2py -2.65672
1 2pz 0.71579 1 2py -9.11790 1 2pz -4.71668 1 3d1- -0.57961 1 3d0 1.50863
1 3d2+ -1.76345 1 3d1- -0.32464 1 4f0 0.90854 2 1s -0.63517 2 1s -20.09328
2 1s -44.78516 2 2py 3.17579 2 2pz -17.96303 2 2py 0.94169 2 2pz 22.28856
2 3d0 -0.74165 2 3d0 -8.29984 2 3d2+ -2.47062 2 3d1- -6.02732 2 4f1- -0.40800
2 4f0 0.92682 2 4f2+ 0.38665 3 1s 31.12177 3 1s 16.61423 3 2py -14.24968
3 2pz -7.35917 3 2py 3.75564 3 2pz -3.38508 3 3d2+ -0.27912 3 3d0 -4.78200
3 3d2+ -2.51692 3 3d1- 5.80121 3 4f1- -0.81519 3 4f0 1.99396 3 4f2+ 1.60940
4 1s 1.17660 4 1s 11.23442 4 2py -0.58865 4 2pz 1.59733 4 2py 3.78752
4 2pz 1.78802 4 3d0 -0.57175 4 3d1- -0.57460 5 1s -5.21350 5 2py 0.97742
5 2pz 0.69971 5 2py 2.04760 5 2pz 2.00815 5 3d1- -0.77447 6 1s -0.27309
6 1s -2.16622 6 1s -19.33516 6 2pz 0.37513 6 2py 1.97667 6 2pz 5.60810
6 2py 3.89520 6 2pz -7.45874 6 3d0 -0.34039 6 3d2+ 0.31539 6 3d0 -1.92719
6 3d2+ 2.30555 6 3d1- 1.51839 6 4f1- -0.57717 6 4f2+ 0.25402 7 1s -0.84225
7 1s -1.79749 7 2py 0.35516 7 2py 4.03349 7 2pz 3.63637 7 3d0 0.35315
7 3d1- 0.71363 8 1s 1.01485 8 1s 2.50118 8 2py 0.28698 8 2pz 0.45116
8 2py -0.73914 8 2pz 6.43943 8 3d0 0.71088 9 1s -8.32147 9 2py -0.26223
9 2py -3.55582 9 2pz -2.66333 10 1s 1.34593 10 1s 9.73304 10 2py -1.07710
10 2pz 7.26497 10 3d0 -0.80505 10 3d2+ 0.25525 10 3d1- -0.73676 11 1s -10.00146
11 2py -0.29470 11 2pz 0.57710 11 2px 0.59195 11 2pz 5.68338 11 2px 0.80950
11 3d0 -0.63289 11 3d2+ 0.32679 11 3d2- -0.26204
40.1 0.00000 0.22429 1 1s -1.12333 1 1s 13.46359 1 1s -36.52570 1 2py -0.39641 1 2py -15.08165
1 2pz -1.54271 1 2py 4.44467 1 2pz 3.07109 1 3d0 -18.91112 1 3d2+ -7.32651
1 3d1--16.00704 1 4f0 -2.38411 1 4f2+ -1.59919 2 1s -0.55112 2 1s -4.07345
2 1s 10.10910 2 2py 0.48884 2 2py 29.97842 2 2pz 4.86676 2 2py 6.46788
2 2pz -21.46581 2 3d1- -0.39123 2 3d0 -31.42285 2 3d2+-16.04615 2 4f1- 0.49578
2 4f0 -2.24986 2 4f2+ -0.73691 3 1s -0.25361 3 1s -6.96593 3 1s -16.60709
3 2py -0.34656 3 2py -32.81659 3 2pz 5.83539 3 2py -22.41382 3 2pz 3.19253
3 3d2+ 0.36199 3 3d0 -10.27002 3 3d2+ -5.56127 3 3d1- 8.35273 3 4f1- -0.63164
3 4f0 -0.43405 3 4f2+ 0.47684 4 1s 12.80688 4 2py 0.27000 4 2pz -1.39672
4 2py 3.30161 4 2pz -6.44660 4 3d0 0.74050 4 3d1- 0.56012 5 1s 1.06629
5 1s 3.71567 5 2py -0.29509 5 2pz -0.81896 5 2py -1.62960 5 2pz -0.50318
6 1s -0.33332 6 1s 3.73713 6 1s 32.15439 6 2py -0.49142 6 2pz -0.30012
6 2py -12.59904 6 2py 3.01108 6 2pz 0.67786 6 3d0 -0.32876 6 3d2+ -0.27586
6 3d1- 0.25200 6 3d0 -2.30130 6 3d2+ -4.17232 6 3d1- 3.60313 6 4f1- -0.38504
6 4f0 -0.35904 6 4f3- 0.44067 7 1s 1.32500 7 1s -23.68377 7 2py -0.95575
7 2pz -0.68174 7 2py -1.30351 7 2pz 1.76826 7 3d2+ -1.02942 8 1s 39.23871
8 2py -0.70098 8 2pz -0.36703 8 2py 5.52538 8 2pz -3.29434 8 3d0 -0.93202
8 3d2+ 0.71281 8 3d1- -0.51084 9 1s 0.56710 9 1s -38.14818 9 2py 0.80908
9 2pz -0.69893 9 2py -1.86741 9 2pz -1.36996 9 3d0 0.28202 9 3d2+ -0.99499
9 3d1- -0.30520 10 1s 0.74849 10 1s 12.56907 10 2py 0.38572 10 2py -3.98460
10 2pz -4.27284 10 3d0 -0.44645 10 3d1- 0.75784 11 1s 0.27882 11 1s 2.30655
11 2py -0.46501 11 2px 0.38273 11 2py -4.10165 11 2pz 0.58481 11 2px -2.19386
11 3d2- -0.48152 11 3d1+ 0.44287
41.1 0.00000 0.23087 1 1s -0.56631 1 1s 3.41820 1 1s -0.55435 1 2pz -0.38391 1 2pz -1.07807
1 2py -0.95427 1 2pz -2.92910 1 3d0 -1.98972 1 3d2+ -1.57727 1 3d1- -4.81206
1 4f1- -0.56842 1 4f0 -0.90362 2 1s 7.01000 2 1s 46.70901 2 2py -8.44436
2 2pz 22.54594 2 2py -10.30156 2 2pz 8.96057 2 3d0 0.44222 2 3d0 10.00669
2 3d2+ 2.87428 2 3d1- -4.05120 2 4f1- -0.56566 2 4f0 0.94738 2 4f3- -0.25811
2 4f2+ 0.74020 3 1s -18.00725 3 1s -16.56649 3 2py 25.53542 3 2pz -15.57369
3 2py 26.96682 3 2pz 16.68692 3 3d2+ 0.25600 3 3d1- -0.43786 3 3d0 6.16184
3 3d2+ 5.25210 3 3d1--17.80706 3 4f1- -0.64886 3 4f0 -1.43672 3 4f3- -0.70134
3 4f2+ -0.65292 4 1s -0.61458 4 1s -21.01207 4 2pz -1.83492 4 2py -4.81322
4 2pz -0.47814 4 3d1- -0.43498 5 1s 0.90396 5 1s 5.56308 5 2py -0.33208
5 2pz -1.13337 5 2py -1.66818 5 2pz -3.04342 5 3d0 0.50755 6 1s -0.54488
6 1s -4.46709 6 1s -16.98601 6 2py -0.30436 6 2py -4.67801 6 2pz 8.66686
6 2py -2.02539 6 2pz -8.28296 6 3d0 -0.44366 6 3d0 -2.06679 6 3d2+ -1.71697
6 3d1--12.32587 6 4f1- 0.52636 6 4f0 -0.47577 6 4f3- 0.65390 6 4f2+ -1.19255
7 1s -14.36431 7 2py -0.53196 7 2pz 1.20128 7 3d0 -0.45522 7 3d1- -1.12582
8 1s 2.72774 8 2pz 0.39297 8 2py 2.92172 8 2pz -0.59186 8 3d1- 0.52143
9 1s 8.33376 9 2pz 0.35968 9 2py 4.78959 9 2pz 0.36366 9 3d1- 0.46165
10 1s 0.61402 10 1s -6.03281 10 2pz 0.41390 10 2py -5.11800 10 2pz -3.94900
10 3d0 1.46051 10 3d2+ -0.58865 10 3d1- 0.78772 11 1s 11.52183 11 2pz 0.42858
11 2px 0.29822 11 2py 4.05950 11 2pz 1.33487 11 2px 6.06828 11 3d0 -0.62052
11 3d2+ 0.37462 11 3d2- 0.49698
42.1 0.00000 0.23957 1 1s -0.63096 1 1s -45.06302 1 2pz -0.30076 1 2py 9.71308 1 2pz -15.25535
1 2py -1.58401 1 3d0 -0.35520 1 3d2+ -0.42453 1 3d1- -0.31255 1 3d0 0.28250
1 3d2+ -3.38617 1 3d1- 2.67434 1 4f0 -0.61802 1 4f2+ -0.38449 2 1s 0.64583
2 1s 29.66082 2 1s -15.02811 2 2py -0.69905 2 2py -1.00545 2 2pz -13.29325
2 2py 2.75881 2 2pz 2.44135 2 3d0 -0.39164 2 3d2+ -0.46075 2 3d1- -0.52589
2 3d0 24.77694 2 3d2+ 14.20063 2 3d1--13.08408 2 4f1- 3.02982 2 4f0 1.46073
2 4f3- 0.87820 2 4f2+ 2.16833 3 1s 0.60819 3 1s -12.98818 3 1s 27.79929
3 2pz -0.36278 3 2py 9.68621 3 2pz -15.47217 3 2py -1.20435 3 2pz -8.95775
3 3d2+ -0.26236 3 3d0 13.35097 3 3d2+ 6.57547 3 3d1--16.82689 3 4f1- 3.11801
3 4f3- 1.16702 4 1s -26.10566 4 2py 0.93633 4 2py -4.44596 4 2pz 2.30666
4 3d0 -1.08514 4 3d2+ -0.25493 4 3d1- -0.82809 5 1s 0.84494 5 1s 2.60099
5 2py -0.34828 5 2py -1.60563 5 2pz -0.27509 5 3d1- 0.37594 6 1s 1.35941
6 1s 29.11901 6 1s -8.29322 6 2py 0.55622 6 2pz 0.41308 6 2py -9.13304
6 2pz 3.00316 6 2py 0.63440 6 2pz 1.57579 6 3d2+ 0.40677 6 3d0 -2.91538
6 3d2+ 0.26399 6 3d1- 0.53984 6 4f1- 0.63433 6 4f0 0.42007 6 4f3- -0.30753
6 4f2+ 0.37251 7 1s -0.76836 7 1s -10.45152 7 2py 0.45842 7 2py -0.28277
7 2pz 1.49373 7 3d2+ 0.43002 7 3d1- -1.35618 8 1s 0.34216 8 1s -11.11066
8 2pz 0.42982 8 2py 3.29225 8 2pz -2.33747 8 3d1- 0.76274 9 1s -2.26699
9 1s 34.40547 9 2py -1.09413 9 2pz 0.97006 9 2py -1.49186 9 2pz -7.70510
9 3d0 0.62800 9 3d2+ 1.39817 10 1s -0.44471 10 1s 7.02903 10 2py 2.71479
10 2pz -0.63219 10 3d0 1.09197 10 3d2+ 0.33274 10 3d1- 0.51470 11 1s -1.60746
11 1s 0.40404 11 2pz 0.58307 11 2px -0.88470 11 2py -1.11171 11 2pz 4.67018
11 2px -1.12604 11 3d2+ -0.52507 11 3d1- -0.48590 11 3d1+ 0.53706
43.1 0.00000 0.24295 1 1s -0.92065 1 1s -55.76414 1 1s -2.81895 1 2py 0.25731 1 2pz 0.70917
1 2py 16.24518 1 2pz -15.58228 1 2py -1.01405 1 2pz -2.36326 1 3d2+ 0.31136
1 3d0 9.85337 1 3d2+ 1.39916 1 3d1- 15.81618 1 4f1- 1.91242 1 4f0 1.66776
1 4f3- 0.36110 1 4f2+ 0.68436 2 1s 20.03787 2 1s -0.97976 2 2py 0.38412
2 2py -4.09931 2 2pz -33.56025 2 2py -2.85339 2 2pz 6.52014 2 3d0 0.39210
2 3d1- 0.26926 2 3d0 18.62038 2 3d2+ 11.28451 2 3d1- -7.87928 2 4f1- 1.53478
2 4f0 1.22102 2 4f3- 0.38746 2 4f2+ 0.55105 3 1s -2.60578 3 1s -0.81171
3 2py -0.45784 3 2pz 0.61874 3 2py -3.27936 3 2pz -10.13418 3 2py 5.35368
3 2pz -7.00231 3 3d2+ 0.38666 3 3d1- -0.27329 3 3d0 4.40544 3 3d2+ 4.19062
3 3d1- -3.89962 3 4f0 1.68518 3 4f3- 0.50523 3 4f2+ 1.11717 4 1s -10.37657
4 2py -1.82110 4 2pz 0.93824 4 2py -7.32760 4 2pz 7.17661 4 3d2+ 0.44962
5 1s -0.36127 5 2py 0.76608 5 2py 3.63616 5 2pz -0.53113 5 3d1- -0.62686
6 1s 0.49442 6 1s 11.49498 6 1s 4.97358 6 2py -0.73120 6 2pz -0.36124
6 2py -9.28078 6 2pz 0.70746 6 2pz 1.22309 6 3d2+ -0.47236 6 3d0 -2.26909
6 3d2+ -1.71382 6 3d1- 2.02949 6 4f0 0.41620 6 4f2+ 0.30177 7 1s 1.25628
7 1s 10.43299 7 2pz 0.30452 7 2py -9.45065 7 2pz -9.66611 7 3d0 -1.49615
7 3d2+ 0.41765 7 3d1- -1.43616 8 1s 2.62146 8 1s -28.71324 8 2py 1.17166
8 2pz 0.88410 8 2py -2.33964 8 2pz 3.16445 8 3d0 1.15665 8 3d2+ -0.42706
8 3d1- 0.70387 9 1s 0.46452 9 1s 32.59745 9 2py 0.42331 9 2py 3.92896
9 2pz -3.20932 9 3d2+ 0.50685 10 1s 8.92286 10 2pz -0.37127 10 2py 0.97708
10 2pz -6.72854 10 3d0 0.72539 10 3d2+ 0.50774 10 3d1- 0.54703 11 1s 1.17031
11 1s 6.60933 11 2py -0.76465 11 2pz -0.27607 11 2px 0.47597 11 2py -2.87535
11 2pz -1.32990 11 2px 0.87843
44.1 0.00000 0.24742 1 1s -0.29906 1 1s 21.84700 1 1s 36.75068 1 2pz 0.46532 1 2py -5.08984
1 2pz 16.84427 1 2pz -2.59452 1 3d0 1.19136 1 3d2+ 2.41264 1 3d1- -4.03206
1 4f1- -0.66829 2 1s -2.99718 2 1s -31.38698 2 2pz 0.52319 2 2py -4.53845
2 2pz 25.17377 2 2py -11.09204 2 2pz 17.78471 2 3d2+ 0.33902 2 3d0 -0.92096
2 3d2+ -0.98827 2 3d1- 6.15160 2 4f1- -0.59714 2 4f0 -0.96355 2 4f2+ -0.75368
3 1s 1.20527 3 1s 3.40918 3 1s 34.22960 3 2py -0.54988 3 2py 25.60570
3 2pz 30.27356 3 2py 19.33780 3 2pz -12.79424 3 3d2+ 0.32482 3 3d0 0.70841
3 3d2+ -0.47716 3 3d1- 2.06485 3 4f1- 0.51351 3 4f0 -1.36176 3 4f3- -1.95405
3 4f2+ -1.58120 4 1s -2.31208 4 1s 2.25984 4 2pz -2.26155 4 2pz 0.29149
4 3d0 0.34822 4 3d2+ -1.03528 4 3d1- 2.60808 4 4f1- -0.26172 4 4f0 -0.62168
4 4f2+ -0.27389 5 1s 0.39788 5 1s -0.74222 5 2py -2.10965 5 2py -4.69175
5 2pz 2.40834 5 3d2+ -0.28542 5 3d1- 1.79576 5 4f1- -0.26402 6 1s -0.84158
6 1s -26.16238 6 1s -50.28132 6 2py -0.43446 6 2pz 0.29257 6 2py 12.89475
6 2pz -0.45914 6 2pz 1.63747 6 3d0 -0.32226 6 3d1- 0.49282 6 3d0 1.77387
6 3d2+ 8.03280 6 3d1- 10.33020 6 4f1- -0.63080 6 4f0 0.60266 6 4f3- -1.07888
6 4f2+ 1.12604 7 1s 0.28388 7 1s 12.42905 7 2py 7.95403 7 2pz 8.64305
7 3d0 1.11710 7 3d1- 1.38697 8 1s 0.27165 8 1s 11.81115 8 2py -1.20798
8 2pz 2.25626 8 3d1- -0.41429 9 1s 1.15516 9 1s -1.20191 9 2py 0.73133
9 2pz -0.32408 9 2py 1.15127 9 2pz 1.53125 10 1s 2.11117 10 1s 17.18632
10 2py -0.43894 10 2pz 0.67831 10 2py 9.05906 10 2pz 16.98046 10 3d0 -0.94781
10 3d2+ 0.67852 10 3d1- -1.03931 11 1s -14.37189 11 2py 0.38189 11 2px 0.38314
11 2py -1.31933 11 2pz 7.13736 11 2px -3.13057 11 3d2+ -0.26333 11 3d1- -1.05640
45.1 0.00000 0.26737 1 1s -35.98332 1 1s 2.76583 1 2py 0.87726 1 2pz -0.87203 1 2py 12.85352
1 2pz -14.38611 1 2py -2.01091 1 2pz 1.22047 1 3d1- 0.40353 1 3d0 0.47969
1 3d2+ 1.33694 1 3d1- 8.27788 1 4f1- -0.56791 1 4f0 0.78553 1 4f2+ 0.37171
2 1s 0.76066 2 1s 42.10002 2 1s 18.46416 2 2py 3.85704 2 2pz -35.23596
2 2py 4.19469 2 2pz 2.40688 2 3d0 4.16908 2 3d2+ 5.80191 2 3d1- -0.97265
2 4f1- 2.04068 2 4f0 -1.96803 2 4f3- 0.48643 2 4f2+ 0.37744 3 1s -2.81674
3 1s -67.10487 3 2pz -0.32007 3 2py -12.10096 3 2pz -1.60644 3 2py -5.32748
3 2pz 0.92274 3 3d0 -1.00337 3 3d2+ -0.45001 3 3d1--10.33896 3 4f1- 3.70638
3 4f3- 1.38325 3 4f2+ 0.33992 4 1s 0.50892 4 1s -6.07175 4 2py 1.44489
4 2pz -0.39675 4 2py -0.74266 4 2pz -4.50975 4 3d0 1.93784 4 3d1- -1.17338
5 1s -0.49747 5 1s 1.78225 5 2py 0.51041 5 2pz -0.29285 5 2py -4.27311
5 2pz -1.10128 5 3d0 0.43752 5 3d2+ 0.42014 6 1s 1.23730 6 1s 20.51796
6 1s 52.30232 6 2pz -0.53233 6 2py 5.31687 6 2pz -5.28206 6 2py -2.64257
6 2pz 2.63349 6 3d0 -1.13474 6 3d2+ -2.60654 6 3d1- -3.33870 6 4f0 0.51179
6 4f3- -0.42901 7 1s -0.96743 7 1s 5.57012 7 2py 0.30131 7 2py 5.58031
7 2pz -0.77606 7 3d0 1.45458 7 3d2+ -0.33395 7 3d1- 2.07722 8 1s -1.03467
8 1s -15.70087 8 2pz -0.48567 8 2py -0.62897 8 2pz -2.39211 8 3d1- -0.27737
9 1s -0.92613 9 1s 10.47128 9 2pz 0.52799 9 2pz 1.45897 9 3d0 0.51104
10 1s -0.75554 10 1s -28.74791 10 2pz -0.73152 10 2py 1.34060 10 2pz 5.05364
10 3d0 -1.07179 10 3d2+ 0.49051 10 3d1- -2.20078 11 1s 1.91164 11 2py -0.67690
11 2py -11.51664 11 2pz 0.33575 11 2px 3.53234 11 3d0 -0.71144 11 3d2+ -0.34328
11 3d1- 0.78722 11 3d2- -0.93780
46.1 0.00000 0.28225 1 1s -0.94184 1 1s -20.46855 1 1s -10.90181 1 2py 0.78522 1 2pz 0.34747
1 2py 3.75551 1 2pz 8.27631 1 2py 2.00103 1 3d0 0.44700 1 3d0 2.56159
1 3d2+ 1.55256 1 3d1- 4.80478 1 4f0 -0.39170 1 4f3- 0.55378 1 4f2+ -0.79814
2 1s 23.06812 2 1s 42.15209 2 2pz 0.73365 2 2py 17.12653 2 2pz -0.86850
2 2py -3.83629 2 2pz -3.70009 2 3d0 0.26832 2 3d2+ -0.30352 2 3d1- 0.77824
2 3d0 12.34182 2 3d2+ 5.51120 2 3d1- 8.36488 2 4f0 -0.28094 2 4f1- 2.70900
2 4f0 -1.22462 2 4f3- 0.42160 2 4f2+ -0.46451 3 1s -34.44434 3 1s -25.38009
3 2pz 0.91916 3 2py -3.21259 3 2pz 14.92079 3 2py 8.11702 3 2pz 6.36807
3 3d0 -0.70055 3 3d1- -0.32907 3 3d0 -2.16265 3 3d2+ -2.93700 3 3d1- -0.39767
3 4f1- 2.24970 3 4f0 1.08935 3 4f3- 1.54385 3 4f2+ 0.57694 4 1s -0.31462
4 1s -10.04316 4 2py -0.56807 4 2pz 0.64480 4 2pz 10.23174 4 3d2+ 0.78590
4 3d1- -2.08997 4 4f0 0.34376 5 1s 0.80384 5 1s -5.07552 5 2py 0.64686
5 2pz -0.72696 5 2py 1.38070 5 2pz -2.71119 5 3d0 1.08513 5 3d2+ 0.52108
5 3d1- -0.36729 6 1s 2.44264 6 1s 9.04315 6 2py -0.70537 6 2pz 0.65545
6 2py 10.11167 6 2pz -3.46317 6 2py -0.39363 6 2pz -0.73005 6 3d0 1.40760
6 3d2+ -1.28042 6 3d1- 0.56158 6 4f1- -0.47408 6 4f0 0.46335 6 4f3- -0.85610
6 4f2+ 0.71812 7 1s 24.54682 7 2pz -0.43193 7 2py 8.47556 7 2pz 5.50851
7 3d0 1.58630 7 3d1- 2.37168 8 1s 0.66406 8 1s -0.34463 8 2py 2.93604
8 2pz -2.14109 8 3d0 -0.28455 8 3d1- 0.37463 9 1s -1.16981 9 1s 23.38050
9 2py -0.39704 9 2py 3.20911 9 2pz 6.85178 9 3d0 0.59729 9 3d2+ 0.61055
9 3d1- 0.29063 10 1s 0.81807 10 1s -19.07605 10 2py -1.13059 10 2py -0.42881
10 2pz 16.49044 10 3d0 -2.06972 10 3d2+ 0.63508 10 3d1- -4.18434 11 1s -8.16342
11 2pz -0.42721 11 2py -6.42442 11 2pz -2.79140 11 2px 3.11067 11 3d0 -0.25912
11 3d2+ 0.33969 11 3d1- 0.65037 11 3d2- -0.82275 11 3d1+ -0.61647
47.1 0.00000 0.29075 1 1s 0.38237 1 1s 3.84415 1 1s 13.01340 1 2py 1.05052 1 2pz 1.21125
1 2py 22.77111 1 2pz 8.41166 1 2py -4.10185 1 2pz -4.03532 1 3d0 10.21708
1 3d2+ 3.34744 1 3d1- 10.50054 1 4f1- 1.24611 1 4f0 0.92727 1 4f3- -0.25633
1 4f2+ 0.36160 2 1s -0.53923 2 1s -5.54162 2 1s -16.38846 2 2py 0.77540
2 2py -6.66524 2 2pz -3.68694 2 2py -6.77730 2 2pz 9.27628 2 3d1- 0.58673
2 3d0 8.60341 2 3d2+ 4.63074 2 3d1- 12.19876 2 4f1- -0.77295 2 4f0 -1.14914
2 4f3- 0.25272 2 4f2+ -1.62133 3 1s -0.68783 3 1s -10.08508 3 1s -9.68959
3 2py 10.18137 3 2pz 9.44346 3 2py 8.51075 3 2pz -1.95076 3 3d0 -0.38580
3 3d2+ -0.50203 3 3d0 -1.36922 3 3d2+ -6.11884 3 3d1- 6.02674 3 4f1- -0.61051
3 4f0 1.66818 3 4f3- -1.00276 3 4f2+ 0.41578 4 1s -1.66386 4 1s 2.43868
4 2py -1.14027 4 2pz -1.85968 4 2py 2.46771 4 2pz -7.46169 4 3d1- -0.41193
5 1s 1.34291 5 2py -0.57875 5 2pz -0.45521 5 2py -5.84794 5 2pz 0.72154
5 3d2+ -0.25705 5 3d1- 0.59614 6 1s -15.73102 6 1s 29.32555 6 2py 0.74602
6 2py 10.32889 6 2pz -3.30615 6 2py -2.79197 6 2pz -0.81038 6 3d1- -0.53433
6 3d0 -2.48992 6 3d2+ 0.63002 6 3d1- -1.48166 6 4f1- 1.44661 6 4f0 0.53552
6 4f3- -0.32156 7 1s -1.54607 7 1s -1.95466 7 2py 0.78741 7 2py -6.13918
7 2pz -7.03305 7 3d0 -1.03080 7 3d2+ 0.55886 7 3d1- -1.67806 8 1s 2.14959
8 1s -7.39103 8 2py 0.43409 8 2pz 0.90227 8 2py -1.49239 8 2pz 7.33550
8 3d0 0.62755 8 3d2+ -0.25855 8 3d1- 0.65644 9 1s 1.38081 9 1s 17.42297
9 2py 1.09062 9 2pz -0.61984 9 2py 4.53526 9 2pz 4.58786 9 3d0 -0.74140
10 1s -1.81557 10 1s -8.92800 10 2py -0.41601 10 2pz -0.66167 10 2py -2.05735
10 2pz -9.47842 10 3d0 1.43235 10 3d1- 0.32143 11 1s -5.73761 11 2px -0.27438
11 2py -2.77338 11 2pz 1.06829 11 2px 4.66608 11 3d0 -0.26794 11 3d2- -0.72776
11 3d1+ -0.27215
48.1 0.00000 0.29608 1 1s -0.99351 1 1s -7.99390 1 1s 25.20003 1 2py 1.55791 1 2py 3.89033
1 2pz 1.76686 1 2py -3.39798 1 3d0 -0.51968 1 3d2+ -0.27538 1 3d0 -13.27285
1 3d2+ -5.92369 1 3d1--17.83478 1 4f1- -2.18945 1 4f0 -2.10151 1 4f2+ -0.79606
2 1s -0.26239 2 1s -53.05962 2 2py 0.78893 2 2py 11.52752 2 2pz 14.21967
2 2py -6.36764 2 2pz 2.95666 2 3d1- -0.44396 2 3d0 7.09326 2 3d2+ 3.71346
2 3d1--10.05263 2 4f1- 0.46520 2 4f0 -0.30148 2 4f2+ 1.67297 3 1s 0.81108
3 1s 2.46759 3 1s 86.67102 3 2py 0.56939 3 2py 6.09209 3 2pz -5.25403
3 2py 10.05681 3 2pz -5.07416 3 3d0 9.63823 3 3d2+ 7.41635 3 3d1--16.49240
3 4f1- 1.35774 3 4f0 -2.53432 3 4f3- 1.19688 3 4f2+ -0.87924 4 1s 1.29480
4 1s -31.37245 4 2py 2.23142 4 2pz 0.81961 4 2py -8.73465 4 2pz 5.00057
4 3d0 -0.54571 4 3d2+ -0.72290 5 1s 4.79712 5 2py 0.44428 5 2pz 0.54466
5 2py 4.80906 5 2pz -0.36049 5 3d0 -0.60453 5 3d1- -0.50612 6 1s 14.13590
6 1s -63.16811 6 2pz -0.60866 6 2py -4.73550 6 2py 2.36329 6 2pz 2.36433
6 3d0 0.31628 6 3d0 4.24782 6 3d2+ 2.51339 6 3d1- -0.59426 6 4f1- -0.58253
6 4f0 -0.33801 7 1s -2.44060 7 1s -40.93457 7 2py 0.92193 7 2pz -0.78726
7 2py 15.51130 7 2pz 12.65343 7 3d0 1.00489 7 3d2+ -0.52129 7 3d1- 0.65591
8 1s 0.95898 8 1s 40.21634 8 2pz 1.16464 8 2py 8.33104 8 2pz 0.25790
8 3d0 -0.83597 8 3d2+ 0.57336 9 1s 1.32681 9 1s 22.39735 9 2py 0.44434
9 2py 1.53700 9 2pz -6.25741 9 3d2+ 0.44564 10 1s -0.73796 10 1s -1.65972
10 2py 0.57727 10 2py 3.81880 10 2pz 7.88608 10 3d2+ -0.37048 10 3d1- 0.79894
11 1s 0.64518 11 1s 8.56471 11 2pz -0.54652 11 2px 0.47357 11 2py 6.45300
11 2pz -2.45919 11 2px -1.84712 11 3d1- -0.26488 11 3d2- 1.02099
49.1 0.00000 0.31203 1 1s -17.96312 1 1s -5.31114 1 2py 0.63363 1 2py 13.85130 1 2pz -17.70589
1 2py -3.00241 1 2pz -2.52623 1 3d0 0.36433 1 3d0 -2.23989 1 3d2+ -0.75274
1 3d1- 6.19297 1 4f1- 1.02174 1 4f0 0.82117 1 4f2+ 0.61324 2 1s 44.44179
2 1s 14.60352 2 2pz 0.37081 2 2py 19.37142 2 2pz -36.37178 2 2py 3.41759
2 2pz 9.64356 2 3d0 0.37162 2 3d1- 0.68603 2 3d0 -13.80566 2 3d2+ -4.31299
2 3d1- 1.51281 2 4f1- 0.88013 2 4f0 -1.69400 2 4f2+ -0.56286 3 1s 24.54295
3 1s -18.72399 3 2pz 1.06494 3 2py -12.47432 3 2pz -3.69713 3 2py -1.51016
3 2pz -9.33861 3 3d0 -0.79432 3 3d2+ -0.42883 3 3d1- -0.30887 3 3d0 -22.40460
3 3d2+ -9.07093 3 3d1- -0.66150 3 4f1- -1.56552 3 4f0 2.28301 3 4f2+ 1.86078
4 1s -3.21030 4 1s 9.08411 4 2py -2.19404 4 2pz -0.58993 4 2py 11.37315
4 2pz 22.38084 4 3d0 -0.39227 4 3d0 0.33669 4 3d2+ 0.30875 4 3d1- 0.65853
4 4f1- -0.43685 5 1s 2.49290 5 1s -10.65801 5 2py -0.57390 5 2pz -1.75217
5 2py 3.00605 5 2pz -2.33294 5 3d0 1.04445 5 3d2+ 0.60397 5 3d1- 0.55477
6 1s -17.55524 6 1s 6.40541 6 2py 0.39955 6 2pz -0.37508 6 2py -2.98639
6 2pz 10.33067 6 2py -0.36886 6 2pz 3.25406 6 3d0 1.89291 6 3d2+ -4.15394
6 3d1--11.32233 6 4f1- -0.57318 6 4f0 -0.62021 6 4f3- 0.93106 6 4f2+ -1.54149
7 1s -0.53921 7 1s -15.38781 7 2py 0.30145 7 2pz 0.51307 7 2py -6.49096
7 2pz -11.30918 7 3d0 -0.68535 7 3d2+ -0.33447 7 3d1- -0.64998 8 1s -6.96728
8 2pz -0.35963 8 2py -5.80363 8 2pz 2.33017 8 3d0 0.69831 8 3d2+ 0.37618
8 3d1- -0.68328 9 1s -0.50286 9 1s -9.49342 9 2py -0.27001 9 2py -3.21663
9 2pz 8.98494 9 3d0 0.88435 9 3d1- 0.37617 10 1s 0.27379 10 1s -10.61363
10 2py 1.17019 10 2py -3.52051 10 2pz -14.94088 10 3d0 0.50946 10 3d2+ -0.33910
10 3d1- 1.27265 11 1s 1.28571 11 1s 14.74713 11 2py -0.40193 11 2pz -0.34878
11 2px 0.31444 11 2py 5.03187 11 2pz -4.81093 11 2px 1.08287 11 3d0 -0.26330
11 3d1- 0.39386 11 3d2- 0.54573
50.1 0.00000 0.32701 1 1s 0.75623 1 1s 9.16625 1 1s 37.35695 1 2py 0.27551 1 2pz -1.31672
1 2py -9.44703 1 2pz -11.08808 1 2py -0.66187 1 2pz 1.60892 1 3d2+ -0.26252
1 3d1- 0.49419 1 3d0 -5.91384 1 3d2+ -5.92495 1 3d1- -1.02291 1 4f0 -0.89601
1 4f3- 0.30212 1 4f2+ -1.22521 2 1s -0.46113 2 1s -5.89518 2 1s -9.86857
2 2py 1.39906 2 2pz -0.91174 2 2py 34.63004 2 2pz -3.45838 2 2py -8.04672
2 2pz 13.95115 2 3d0 0.31336 2 3d0 -13.38964 2 3d2+ -9.49529 2 3d1- -0.43022
2 4f1- -0.84408 2 4f0 1.26408 2 4f2+ -1.00501 3 1s 0.36287 3 1s -2.13813
3 1s -40.72330 3 2py -0.88469 3 2py -3.28905 3 2pz 11.64857 3 2py 7.97949
3 2pz -3.35051 3 3d0 0.35571 3 3d2+ 0.35165 3 3d1- -0.27069 3 3d0 -10.27629
3 3d2+ -6.06604 3 3d1- 25.67396 3 4f1- -0.95548 3 4f0 2.86681 3 4f3- -0.92822
3 4f2+ 0.87844 4 1s 1.34412 4 1s 39.92893 4 2py -3.54983 4 2pz -0.53230
4 2py 4.09539 4 2pz -3.69710 4 3d0 -0.62911 4 3d2+ 1.68548 4 3d1- 0.63081
5 1s 0.70706 5 1s -5.24105 5 2py -0.33659 5 2pz -0.70560 5 2py -2.42910
5 2pz 1.48118 5 3d0 0.55640 6 1s 0.25734 6 1s -19.23693 6 1s 15.29988
6 2py -0.47233 6 2pz -0.59947 6 2py 8.00828 6 2pz -14.20577 6 2py -1.32635
6 2pz 1.33476 6 3d2+ -0.80088 6 3d1- -0.68306 6 3d0 -1.00173 6 3d2+ -2.18501
6 3d1- 4.61710 6 4f1- 0.50467 6 4f0 0.28059 6 4f3- -0.36242 6 4f2+ 0.28429
7 1s -0.86255 7 1s -8.85622 7 2py 0.51800 7 2pz -0.59476 7 2py 1.33458
7 2pz 4.04643 7 3d0 0.69207 7 3d2+ -0.28525 7 3d1- 0.28013 8 1s -1.73162
8 1s -7.96958 8 2py -0.97892 8 2pz -0.74729 8 2py 1.17909 8 2pz -2.04566
9 1s 2.39136 9 1s -3.14018 9 2py 0.99054 9 2pz -0.46232 9 2py 4.60329
9 2pz -0.85329 9 3d0 -0.60431 10 1s -1.86909 10 1s -9.92787 10 2pz -0.91446
10 2py -0.38841 10 2pz 1.44377 10 3d0 -0.76056 10 3d2+ 0.32600 10 3d1- -0.94189
11 1s 1.79840 11 1s -1.52466 11 2px 0.69989 11 2py -5.07516 11 2px 2.29131
11 3d2+ 0.54253 11 3d2- -1.07419
51.1 0.00000 0.32843 1 1s -89.55025 1 1s 32.18032 1 2pz -1.24257 1 2py 15.29286 1 2pz -44.11463
1 2py -0.43132 1 2pz 4.56345 1 3d0 -0.60899 1 3d0 7.19512 1 3d2+ 1.48556
1 3d1- 14.20199 1 4f1- -0.27453 1 4f0 2.15699 1 4f2+ 1.71946 2 1s 0.31604
2 1s 2.03539 2 1s -29.25163 2 2py 1.19504 2 2pz -0.92261 2 2py 10.03381
2 2pz -87.60277 2 2py -3.75429 2 2pz 5.87398 2 3d0 17.28657 2 3d2+ 8.51464
2 3d1--19.61140 2 4f1- 1.68784 2 4f0 1.62734 2 4f3- -0.30831 2 4f2+ 2.77776
3 1s 0.33183 3 1s 27.46998 3 1s -3.01173 3 2py 0.61128 3 2py -39.35789
3 2pz -32.05415 3 2py -0.75280 3 2pz -0.79334 3 3d0 0.28706 3 3d0 11.86378
3 3d2+ 8.19468 3 3d1- 7.40035 3 4f1- 2.34345 3 4f0 2.71635 3 4f3- 2.59947
3 4f2+ 2.36934 4 1s 1.93591 4 1s -1.46471 4 2py -0.36409 4 2py -3.23601
4 2pz -7.65134 4 3d0 -2.42718 4 3d2+ 0.30179 4 3d1- -0.75867 5 1s 1.68484
5 1s 10.03403 5 2py -0.44365 5 2pz -0.46599 5 2py -0.91484 5 3d0 -0.48750
5 3d2+ -0.41217 6 1s 0.46308 6 1s 38.82371 6 1s -5.34910 6 2py -0.86725
6 2pz 0.56880 6 2py -21.10138 6 2pz 7.17977 6 2py 2.36645 6 2pz -0.99164
6 3d0 -4.07868 6 3d2+ 2.51178 6 3d1- 13.50242 6 4f1- -0.31421 6 4f2+ 1.11467
7 1s -2.93455 7 2py 0.33625 7 2pz 0.63025 7 2py 4.22779 7 2pz -0.43458
7 3d0 -0.71306 7 3d2+ 0.48651 8 1s -0.98583 8 1s -46.59096 8 2py 1.02697
8 2py -0.72866 8 2pz -3.84146 8 3d0 0.73632 8 3d2+ -1.03228 8 3d1- 0.73392
9 1s 2.18847 9 1s 41.47459 9 2py 0.50331 9 2pz 1.38962 9 2py 5.15365
9 2pz -8.38828 9 3d2+ 0.78753 9 3d1- -0.28134 10 1s 1.57349 10 1s 44.40033
10 2py -0.41712 10 2pz 0.60096 10 2py -1.02906 10 2pz 9.65514 10 3d0 -0.52643
10 3d1- 0.57624 11 1s -0.32332 11 1s -15.73505 11 2py -0.51102 11 2pz -0.33102
11 2px 0.42313 11 2py -3.35977 11 2pz 2.72068 11 2px -2.55207 11 3d0 0.78812
11 3d1- -0.34222 11 3d2- -0.39799 11 3d1+ -0.41868
52.1 0.00000 0.33543 1 1s -31.37679 1 1s 13.87560 1 2py 1.49315 1 2pz -0.26814 1 2py 21.60820
1 2pz -16.74577 1 2py -7.81984 1 2pz -0.87747 1 3d0 -0.80527 1 3d2+ -0.30003
1 3d0 -8.29741 1 3d2+ -5.33433 1 3d1- 1.86199 1 4f1- 0.92715 1 4f0 0.42021
1 4f3- -0.32903 2 1s 0.39374 2 1s 15.69266 2 1s -0.71389 2 2py -0.32602
2 2pz -1.14393 2 2py 2.94694 2 2pz -50.29944 2 2py 7.36384 2 2pz 8.85994
2 3d0 -0.37006 2 3d2+ -0.26578 2 3d1- -0.71576 2 3d0 -13.56608 2 3d2+ -4.50782
2 3d1--12.74874 2 4f1- 0.27989 2 4f0 -0.85099 2 4f3- 0.42406 3 1s 0.91852
3 1s 61.88268 3 1s -39.76771 3 2pz -0.42773 3 2py -21.30904 3 2pz -13.67970
3 2py -4.21179 3 2pz 0.51158 3 3d0 0.34334 3 3d1- 0.54496 3 3d0 -6.80189
3 3d2+ -0.48403 3 3d1- 10.74041 3 4f1- -0.42708 3 4f0 0.70230 3 4f3- 0.66728
3 4f2+ 0.53894 4 1s 0.78648 4 1s 30.27214 4 2py -1.06365 4 2pz 1.17023
4 2py 1.69511 4 2pz -1.95475 4 3d0 0.92588 4 3d2+ 0.79298 4 3d1- 0.74888
5 1s -0.65148 5 1s -6.87906 5 2py 0.43362 5 2pz 0.33098 5 2py 1.22583
5 2pz 2.12556 5 3d2+ 0.40117 5 3d1- -0.36629 6 1s 0.64214 6 1s 4.32750
6 1s 23.81812 6 2pz 0.34379 6 2py 4.15634 6 2pz 1.24287 6 2py -1.58088
6 2pz -4.00149 6 3d2+ 0.48651 6 3d0 4.43097 6 3d2+ 3.81720 6 3d1- -0.36153
6 4f1- -0.95226 6 4f0 -0.25227 6 4f2+ -0.40121 7 1s -3.01558 7 1s -37.56051
7 2py 1.13217 7 2py 10.02513 7 3d0 -0.32564 7 3d2+ -0.75414 8 1s 2.37714
8 1s 15.49194 8 2py 0.47655 8 2pz 0.30509 8 2py 5.08088 8 2pz 1.43891
8 3d2+ 0.30437 8 3d1- -0.34952 9 1s -1.65685 9 1s -24.55962 9 2py -0.41394
9 2pz -0.27432 9 2py -4.72623 9 2pz -5.53939 9 3d0 0.26122 9 3d2+ -0.31472
10 1s 1.97660 10 2pz 0.27762 10 2py -1.83135 10 2pz 8.65715 10 3d2+ -0.36850
10 3d1- -0.56265 11 1s -1.20606 11 1s -15.07199 11 2pz 0.43097 11 2px -0.38588
11 2py -0.69788 11 2pz 1.29276 11 2px 0.44017 11 3d0 -0.70300 11 3d1+ -0.45545
53.1 0.00000 0.34532 1 1s -43.99717 1 1s 4.80806 1 2py 0.73124 1 2pz 0.46966 1 2py 27.72099
1 2pz -11.84574 1 2py -2.26995 1 3d0 0.53110 1 3d0 -2.19342 1 3d2+ -4.47621
1 3d1- -5.92453 1 4f1- -0.81562 1 4f0 -0.47307 2 1s -0.89825 2 1s -56.64987
2 1s 6.00781 2 2py -1.11910 2 2py -12.02324 2 2pz -61.03815 2 2py 4.03974
2 3d0 -0.57994 2 3d1- 0.29583 2 3d0 11.70719 2 3d2+ 4.42194 2 3d1- -9.94828
2 4f0 -0.25108 2 4f1- 2.69913 2 4f0 -2.37142 2 4f3- 0.74185 2 4f2+ 0.57718
3 1s -0.68326 3 1s -34.00505 3 1s -16.50478 3 2py -0.81953 3 2pz -0.69470
3 2py -81.70802 3 2pz -61.12350 3 2py -3.40245 3 2pz 6.73954 3 3d1- 0.59339
3 3d0 19.49429 3 3d2+ 10.49537 3 3d1- 3.39902 3 4f1- 0.99522 3 4f0 -1.43263
3 4f3- 3.54814 3 4f2+ 0.83168 4 1s 1.29285 4 1s -6.32471 4 2py 2.62901
4 2pz -0.86138 4 2py -2.81641 4 2pz -9.72537 4 3d0 -0.77533 4 3d1- -1.65388
5 1s 1.24437 5 1s 8.21050 5 2py -0.28159 5 2pz -0.97851 5 2py -1.84504
6 1s -0.76217 6 1s 76.46610 6 1s 8.38335 6 2py -1.23083 6 2py -63.27484
6 2pz -5.55921 6 2py 5.29180 6 2pz -1.94201 6 3d0 -0.43256 6 3d2+ -0.60056
6 3d1- 0.38794 6 3d0 -8.17172 6 3d2+-13.24498 6 3d1- 6.30157 6 4f1- -0.58359
6 4f0 -1.24177 6 4f3- 1.28922 6 4f2+ -0.73126 7 1s -1.88125 7 1s -44.20910
7 2py 0.51183 7 2pz 0.33430 7 2py 2.26062 7 2pz 0.43156 7 3d0 -0.96061
7 3d2+ -0.89241 7 3d1- -1.87463 8 1s 9.98441 8 2py -0.37088 8 2py 1.68799
8 2pz 1.23805 8 3d0 -0.41234 8 3d2+ 0.86951 9 1s -1.48832 9 1s 1.95574
9 2py -0.36331 9 2py -1.17621 9 2pz -2.00935 9 3d0 -0.26448 9 3d2+ 0.28318
10 1s 1.18702 10 1s 43.88651 10 2py 0.43419 10 2pz 1.07827 10 2py -10.96870
10 2pz -4.01123 10 3d2+ -0.33474 10 3d1- 2.21183 11 1s 22.54013 11 2py -0.25134
11 2pz 0.37101 11 2px 0.33223 11 2py -5.31908 11 2pz -0.48098 11 2px 0.35047
11 3d0 0.74025 11 3d2+ 0.30255 11 3d1+ 1.54906
54.1 0.00000 0.34559 1 1s 59.59106 1 1s -15.72904 1 2py -0.53626 1 2pz 0.56239 1 2py -39.99673
1 2pz 30.32657 1 2py 0.31306 1 2pz -3.01036 1 3d1- -0.59368 1 3d0 -11.18159
1 3d2+ -2.42004 1 3d1--23.15649 1 4f1- -1.21500 1 4f0 -1.65767 1 4f2+ -1.60745
2 1s -0.80651 2 1s -27.73863 2 1s 0.75298 2 2py 0.47023 2 2pz 0.54562
2 2py 19.02371 2 2pz 58.50059 2 2py 6.55736 2 2pz -5.82740 2 3d0 -0.41819
2 3d0 -26.80498 2 3d2+-14.55387 2 4f1- -2.72148 2 4f0 2.05796 2 4f3- -0.58318
2 4f2+ 1.27168 3 1s 19.75399 3 1s -57.63019 3 2py -0.46407 3 2pz 0.28014
3 2py 36.33802 3 2pz 20.21280 3 2py -19.15624 3 2pz -3.17967 3 3d0 0.28246
3 3d2+ 0.26516 3 3d0 -16.46960 3 3d2+ -7.45459 3 3d1- 4.98020 3 4f1- -2.14908
3 4f0 0.49618 3 4f3- -1.05224 3 4f2+ 0.62898 4 1s 0.57748 4 1s 20.70724
4 2py -2.30699 4 2pz -1.44743 4 2py 0.83310 4 2pz -12.44599 4 3d0 -0.40806
4 3d2+ 0.89309 4 3d1- 0.78025 5 1s 1.87901 5 1s 8.81217 5 2py -0.25197
5 2pz -1.38645 5 2py -3.17142 6 1s 1.88065 6 1s -29.31349 6 1s 67.44455
6 2py 0.64385 6 2pz 0.64364 6 2py 32.90758 6 2pz 12.95782 6 2py -4.25565
6 3d0 4.71415 6 3d2+ 4.74283 6 3d1- -1.49539 6 4f3- 1.23726 7 1s 0.78165
7 1s 7.00204 7 2py -0.39392 7 2pz -1.05759 7 2py 8.55027 7 2pz 10.58852
7 3d0 1.38626 7 3d1- 2.61749 8 1s 0.91790 8 1s 50.71828 8 2py -0.49951
8 2pz 0.52508 8 2py 3.27305 8 2pz 1.72571 8 3d0 -0.53991 8 3d2+ 0.47140
8 3d1- -0.79071 9 1s 1.35642 9 1s -33.65433 9 2pz 0.28602 9 2py -0.88297
9 2pz -4.30290 9 3d0 -0.81164 9 3d2+ -0.69096 9 3d1- -0.34757 10 1s -0.70368
10 1s -17.72772 10 2py 0.50762 10 2pz -0.53849 10 2pz 10.17647 10 3d0 -1.03292
10 3d2+ -0.80760 10 3d1- -0.59693 11 1s -3.01960 11 1s -37.31747 11 2py -0.65691
11 2pz 0.91535 11 2px -1.46357 11 2py -5.75015 11 2pz 3.49192 11 2px -2.22631
11 3d0 -0.84586 11 3d1- 0.28037 11 3d2- -0.47423 11 3d1+ -1.05559
55.1 0.00000 0.35686 1 1s 0.52933 1 1s 25.46577 1 1s -0.89807 1 2py -0.42077 1 2pz 0.46603
1 2py -24.87151 1 2pz 10.70012 1 2py -1.86406 1 2pz -5.87867 1 3d1- -0.76020
1 3d0 -1.50145 1 3d2+ 0.83930 1 3d1--13.98797 1 4f1- -0.95261 1 4f0 0.59540
1 4f3- -0.96461 1 4f2+ 0.67594 2 1s 0.75557 2 1s -67.38116 2 1s 53.41947
2 2py -0.65077 2 2pz 0.57983 2 2py -10.25000 2 2pz -4.50933 2 2py 3.75775
2 2pz 12.60821 2 3d0 -0.34794 2 3d1- -0.31090 2 3d0 -28.17379 2 3d2+-25.91207
2 3d1--10.76088 2 4f1- -3.42218 2 4f0 2.81646 2 4f3- -1.49359 2 4f2+ 1.15976
3 1s 1.39160 3 1s 46.35882 3 1s -48.08024 3 2py -1.23624 3 2py -25.87318
3 2pz 3.98290 3 2py 8.19309 3 2pz 4.93685 3 3d0 0.54689 3 3d1- -0.68322
3 3d0 0.91182 3 3d2+ 1.44231 3 3d1- 37.39561 3 4f1- -1.48036 3 4f0 1.40564
3 4f3- -1.45754 3 4f2+ -1.39078 4 1s -1.83486 4 1s 28.85273 4 2py -3.35888
4 2pz 0.69757 4 2py -0.94310 4 2pz -13.68650 4 3d0 -4.23536 4 3d2+ 0.87955
4 3d1- 0.63976 4 4f1- -0.36672 5 1s 2.98830 5 1s 10.50097 5 2py -1.33755
5 2pz -1.21276 5 2py -3.14729 5 2pz -0.57393 5 3d2+ -0.67577 6 1s -1.48478
6 1s -8.63349 6 1s -4.12186 6 2py -0.51925 6 2pz -1.25349 6 2py 1.26727
6 2pz -24.75870 6 2pz 1.34833 6 3d2+ -0.64568 6 3d1- -0.43240 6 3d0 0.29351
6 3d2+ 2.81579 6 3d1- 16.54795 6 4f1- 0.40137 6 4f3- -1.14010 6 4f2+ 1.42390
7 1s -0.37627 7 1s -1.89987 7 2pz 0.30408 7 2py 6.61112 7 2pz 6.55352
7 3d0 -0.68321 7 3d1- 1.25251 8 1s 1.03360 8 1s 23.51956 8 2pz 0.62953
8 2py 0.85028 8 2pz 2.77893 8 3d1- -0.33944 9 1s -0.30934 9 1s -73.49282
9 2py -0.51380 9 2pz 0.33018 9 2py -1.84326 9 2pz -6.74093 9 3d0 -0.51679
9 3d2+ -1.72587 9 3d1- -0.78655 10 1s -2.08150 10 1s 12.77261 10 2pz -0.81284
10 2py 2.11572 10 2pz 6.28478 10 3d0 -1.42181 10 3d2+ 0.52640 11 1s 2.00407
11 1s -5.18082 11 2py 0.26676 11 2pz -0.64077 11 2px 1.51402 11 2py -4.64173
11 2pz -0.41868 11 2px 1.57789 11 3d0 0.33370 11 3d2+ 0.71910 11 3d1- -0.79247
11 3d2- -1.26810 11 3d1+ -0.40363
56.1 0.00000 0.37438 1 1s -1.77507 1 1s -33.54941 1 1s -14.99349 1 2pz 0.48688 1 2py 1.66087
1 2pz 2.85050 1 2py -0.88096 1 2pz -5.50623 1 3d0 0.39574 1 3d2+ 0.29198
1 3d1- -0.71093 1 3d0 0.88408 1 3d2+ 3.11139 1 3d1- -9.42347 1 4f1- -1.08095
1 4f0 -0.32085 1 4f3- -0.49802 1 4f2+ 0.53721 2 1s -1.43976 2 1s -20.24601
2 2pz 1.34416 2 2py 6.86270 2 2pz -18.59012 2 2py -1.70720 2 2pz 6.26479
2 3d0 0.43056 2 3d1- 0.28930 2 3d0 8.81115 2 3d2+ 2.15624 2 3d1- -4.72072
2 4f1- 1.48694 2 4f0 -1.08885 2 4f3- -0.92047 2 4f2+ 2.71333 3 1s -0.52643
3 1s -18.98718 3 1s 28.85142 3 2py 0.44687 3 2py -23.11926 3 2pz -17.90125
3 2py -0.35995 3 2pz -10.65146 3 3d1- -0.35330 3 3d0 6.24923 3 3d2+ 3.48122
3 3d1--11.19866 3 4f0 -1.91271 3 4f3- 1.98943 3 4f2+ -0.50131 4 1s -0.25419
4 1s 1.14258 4 2py 2.87931 4 2pz 2.91314 4 2py 3.76730 4 2pz 19.52172
4 3d0 2.26703 4 3d2+ -0.71952 4 3d1- 0.29871 5 1s 0.27880 5 1s -3.31749
5 1s -24.76585 5 2py 1.71827 5 2pz 2.39734 5 2py 4.56420 5 2pz 3.54095
5 3d0 0.27357 5 3d2+ 0.54370 5 3d1- -0.60875 6 1s -0.58481 6 1s 24.23209
6 1s -13.23022 6 2py -0.38289 6 2py -23.59956 6 2pz 2.65526 6 2py 4.00582
6 2pz -0.94999 6 3d0 -0.27204 6 3d1- 0.25097 6 3d0 -1.64454 6 3d2+ -5.85281
6 3d1- -1.56045 6 4f1- -0.44202 6 4f0 -0.56063 6 4f3- 0.65964 6 4f2+ -0.85670
7 1s 0.88660 7 1s -2.70568 7 2py -0.41187 7 2pz 0.29559 7 2py 2.18379
7 2pz 1.84807 7 3d0 -0.60388 8 1s 1.22998 8 1s 17.75272 8 2pz 0.90674
8 2py -1.21814 8 2pz 2.21066 8 3d0 -0.34702 8 3d2+ 0.32510 9 1s 2.20313
9 1s 22.08241 9 2py 0.41698 9 2pz 1.13479 9 2py 2.34738 9 3d0 0.40717
9 3d1- -0.47271 10 1s 1.54602 10 1s 14.21157 10 2pz 0.61770 10 2py -4.24481
10 3d2+ -0.41520 10 3d1- 0.99934 11 1s 0.30898 11 1s 13.41818 11 2py -0.58478
11 2pz 0.87067 11 2px -0.37659 11 3d1+ 0.69167
57.1 0.00000 0.39234 1 1s -1.27248 1 1s 28.69720 1 1s -63.00946 1 2pz -0.81486 1 2py -2.69291
1 2pz -3.43984 1 2py 6.39956 1 2pz 6.17540 1 3d0 0.53689 1 3d2+ 0.60777
1 3d1- 1.07845 1 3d0 -25.75947 1 3d2+ -2.35877 1 3d1--16.19943 1 4f1- -1.42238
1 4f0 -4.39679 1 4f3- -0.99184 1 4f2+ -1.27303 2 1s 24.98608 2 1s -14.34095
2 2py 0.61176 2 2pz -0.51947 2 2py 44.10689 2 2pz 13.13915 2 2py 7.24319
2 2pz -34.87272 2 3d0 0.42390 2 3d0 -37.98225 2 3d2+-19.86887 2 3d1- 23.20523
2 4f0 -0.27285 2 4f0 -6.87300 2 4f2+ -1.37926 3 1s 0.70441 3 1s -23.16374
3 1s 28.60251 3 2py -41.81549 3 2pz 42.05811 3 2py -25.24707 3 2pz 0.27514
3 3d1- 0.27976 3 3d0 -11.04322 3 3d2+-15.55159 3 3d1- 20.50990 3 4f1- 3.09624
3 4f0 -3.18544 3 4f3- 1.04658 3 4f2+ -0.31417 4 1s 0.89727 4 1s 4.82673
4 2py 1.12406 4 2pz -0.68468 4 2py -1.19714 4 2pz -17.98266 4 3d0 1.16484
4 4f0 -0.29897 5 1s 1.38025 5 1s 12.75384 5 2pz -1.07323 5 2py -3.43943
5 3d0 -0.39735 6 1s 0.48359 6 1s -3.20540 6 1s 45.22155 6 2py 0.58737
6 2pz -15.52331 6 2py -0.42746 6 2pz 3.11619 6 3d1- -0.36870 6 3d2+ 0.46703
6 3d1- 14.40659 6 4f1- 0.48652 6 4f0 1.23800 6 4f3- -0.98372 6 4f2+ 0.95262
7 1s 1.20455 7 1s -22.04266 7 2py -1.83449 7 2pz -0.95987 7 2py -2.41554
7 2pz -6.58537 7 3d2+ -1.61901 7 3d1- 1.31264 8 1s -2.26514 8 1s 42.59526
8 2py -2.17837 8 2pz -0.75086 8 2py 3.03404 8 2pz -6.74293 8 3d0 -1.54633
8 3d2+ 1.21875 8 3d1- -0.81440 9 1s 0.71993 9 1s -44.41711 9 2py 0.81829
9 2pz -1.17570 9 2py -2.95607 9 2pz -0.64007 9 3d2+ -0.88289 9 3d1- -2.00153
10 1s -0.53232 10 1s 7.07829 10 2py -0.74043 10 2pz -0.52198 10 2py -2.16663
10 2pz -4.59689 10 3d0 -1.13757 10 3d1- -0.46121 11 1s -15.79932 11 2py 0.93130
11 2px -0.26577 11 2py -3.42297 11 2pz -1.14300 11 2px -0.50499 11 3d2+ 0.28885
11 3d1- -1.03902 11 3d2- -0.95250 11 3d1+ -0.88921
58.1 0.00000 0.39841 1 1s 0.66003 1 1s -18.28192 1 2py -25.08465 1 2pz -29.73663 1 2py -8.55780
1 2pz -1.86002 1 3d0 -0.56983 1 3d2+ -0.45250 1 3d0 -32.22299 1 3d2+-15.50166
1 3d1--19.58644 1 4f1- -0.48938 1 4f0 -1.40490 1 4f3- -0.92110 1 4f2+ -1.89649
2 1s -12.13605 2 1s 30.32999 2 2py 0.39584 2 2pz 0.26104 2 2py 44.94088
2 2pz -47.68775 2 2py 13.60173 2 3d0 -0.33845 2 3d1- -0.59879 2 3d0 -73.22002
2 3d2+-41.04497 2 3d1--18.43336 2 4f1- 0.40099 2 4f0 -0.47040 2 4f3- -0.58132
2 4f2+ -0.64845 3 1s 0.64197 3 1s 35.54593 3 1s -50.59901 3 2py -1.09517
3 2py ********* 3 2pz -1.01109 3 2py -13.02539 3 2pz 1.22156 3 3d0 0.57507
3 3d2+ 0.38424 3 3d1- -0.44383 3 3d0 -11.44685 3 3d2+ -3.36378 3 3d1- 35.47598
3 4f1- 0.64940 3 4f0 2.65415 3 4f3- -0.66048 3 4f2+ 0.78798 4 1s -0.57437
4 1s 44.87353 4 2py -2.19873 4 2pz 3.41831 4 2py 7.08304 4 2pz -2.95138
4 3d0 -0.36224 4 3d2+ 0.55850 4 3d1- 1.34515 5 1s -0.67973 5 1s -7.04768
5 2py 0.48213 5 2pz 0.98760 5 2py -0.48443 5 2pz 2.16199 6 1s 0.42775
6 1s 46.02065 6 1s 26.99703 6 2py -0.43882 6 2pz 0.29919 6 2py -40.84547
6 2pz -3.33151 6 2py 3.37865 6 2pz -3.70990 6 3d0 -0.52134 6 3d1- 0.53512
6 3d0 -10.68065 6 3d2+ -5.14974 6 3d1- 18.30882 6 4f1- 0.62851 6 4f0 0.59481
6 4f3- -0.67699 6 4f2+ 0.72505 7 1s -1.35136 7 1s -63.00969 7 2pz -1.29468
7 2py 1.77520 7 2pz -7.25253 7 3d0 -0.50055 7 3d2+ -1.13148 7 3d1- 0.64392
8 1s 49.79237 8 2py -0.28891 8 2py 4.37403 8 2pz 2.55674 8 3d0 0.43995
8 3d2+ -0.31947 8 3d1- -1.65786 9 1s -0.54380 9 1s ********* 9 2py 0.81503
9 2py -7.20426 9 2pz 2.11520 9 3d0 1.32202 9 3d2+ -2.61332 9 3d1- 0.59183
10 1s 0.97631 10 1s 51.61223 10 2pz -0.26443 10 2py -6.12474 10 2pz -6.45618
10 3d0 -0.98180 10 3d2+ 0.97177 10 3d1- 2.19088 11 1s -2.26622 11 1s -8.11751
11 2py 0.52806 11 2pz 0.25045 11 2px -0.60061 11 2py -4.73941 11 2pz 4.29828
11 2px -3.41422 11 3d0 1.23356 11 3d2+ -0.46034 11 3d1- -1.05873 11 3d2- -1.15221
11 3d1+ 0.38559
59.1 0.00000 0.41422 1 1s -1.36099 1 1s -49.05184 1 1s -27.66090 1 2py -0.74465 1 2pz -0.30964
1 2py -1.41314 1 2pz -24.99291 1 2py 3.64311 1 2pz 0.32007 1 3d0 -0.28285
1 3d2+ 1.81496 1 3d1- 9.66118 1 4f1- 0.27315 1 4f0 1.54833 1 4f3- -0.34712
1 4f2+ 0.72807 2 1s 0.34090 2 1s 28.82932 2 2py -0.31304 2 2py 8.40128
2 2pz -61.33896 2 2py 7.84737 2 2pz -7.65942 2 3d0 0.37141 2 3d2+ 0.34446
2 3d1- -0.35760 2 3d0 -15.25490 2 3d2+ -8.85240 2 3d1- -7.96469 2 4f1- 1.05061
2 4f3- -0.52268 2 4f2+ 1.18092 3 1s 22.46465 3 1s -69.76308 3 2py -0.42610
3 2py -50.91512 3 2pz 1.92538 3 2py -20.93694 3 2pz -4.10411 3 3d0 0.65090
3 3d2+ 0.44250 3 3d0 -5.96444 3 3d2+ 0.71433 3 3d1- 31.62326 3 4f0 -0.30543
3 4f1- 1.07610 3 4f0 -1.55235 3 4f3- 2.51637 3 4f2+ -2.19881 4 1s -1.91377
4 1s 44.22657 4 2py 0.73159 4 2pz 3.24099 4 2py 6.00387 4 2pz 1.83568
4 3d0 0.36991 4 3d2+ 1.28227 4 3d1- 0.81865 4 4f0 -0.28527 5 1s -0.81384
5 1s -9.34650 5 2py -0.37366 5 2pz 0.41774 5 2py 1.79267 5 2pz 1.19303
5 3d0 0.34185 5 3d1- 0.33151 6 1s 1.11974 6 1s 30.36049 6 1s 59.26735
6 2pz -1.48268 6 2py -8.57485 6 2pz -39.23636 6 2py -2.10866 6 2pz 7.41980
6 3d0 0.75700 6 3d2+ -0.88083 6 3d1- 0.31607 6 3d0 6.07699 6 3d2+ -9.36498
6 3d1- 10.05935 6 4f1- -1.09650 6 4f0 0.60145 6 4f3- 0.76462 6 4f2+ -0.32996
7 1s 1.09725 7 1s 15.05177 7 2py -1.30051 7 2pz 0.63393 7 2py -8.49903
7 2pz -7.14475 7 3d2+ -0.88837 7 3d1- 0.86518 8 1s 0.39967 8 1s -19.91387
8 2py 0.70362 8 2py -3.28633 8 2pz -1.26701 8 3d0 0.99819 8 3d2+ -0.87150
8 3d1- -0.28882 9 1s 0.80073 9 1s -23.75257 9 2py 0.41837 9 2pz 0.81907
9 2py -1.08614 9 2pz -0.77343 9 3d0 0.37942 9 3d2+ -0.95519 9 3d1- -0.38676
10 1s -2.85432 10 1s -25.17016 10 2py 0.91583 10 2pz -1.54479 10 2py -1.87626
10 2pz -13.37197 10 3d0 -1.75402 10 3d2+ -0.99015 10 3d1- -0.79801 11 1s 0.97446
11 1s 18.47540 11 2px -0.70305 11 2py -4.00609 11 2pz -10.42723 11 2px -2.59720
11 3d0 0.63333 11 3d2- 0.29955
60.1 0.00000 0.41842 1 1s -16.19089 1 1s 14.39352 1 2py -0.87309 1 2py -27.67530 1 2pz -12.64759
1 2py -2.81880 1 2pz 0.74787 1 3d0 -0.64871 1 3d2+ -0.63775 1 3d1- -0.84296
1 3d0 -24.02021 1 3d2+-17.32948 1 3d1--14.91526 1 4f0 -0.39475 1 4f2+ -0.28850
1 4f0 -3.56280 1 4f2+ -4.18021 2 1s -0.96276 2 1s 32.98653 2 1s -52.14733
2 2pz 0.56381 2 2py 45.08037 2 2pz 12.55624 2 2py 0.76390 2 2pz -2.54236
2 3d0 -1.38485 2 3d2+ -0.58131 2 3d1- -0.61441 2 3d0 -17.62812 2 3d2+ -0.35067
2 3d1--19.00109 2 4f0 0.40634 2 4f2+ 0.33464 2 4f1- 3.17030 2 4f0 2.27585
2 4f3- 1.84984 2 4f2+ 2.92316 3 1s -6.51966 3 1s 50.48959 3 2pz -0.49919
3 2py -3.05445 3 2pz -16.58665 3 2py -1.76900 3 2pz -6.06635 3 3d0 0.51825
3 3d0 -6.50331 3 3d2+ -4.70971 3 3d1--24.23592 3 4f1- 2.18070 3 4f0 0.70660
3 4f3- 1.32168 3 4f2+ 2.67303 4 1s 1.10424 4 1s -30.47457 4 2py -3.54846
4 2pz 3.24678 4 3d0 1.04611 4 3d2+ 0.31627 4 3d1- -0.73407 5 1s 0.64724
5 1s 1.88457 5 2pz -0.83906 5 3d2+ 0.27968 5 3d1- -0.29661 6 1s 10.18879
6 1s -6.88288 6 2py -0.54940 6 2pz -0.89781 6 2py -4.67582 6 2pz 2.48498
6 2py 2.36848 6 2pz 5.04160 6 3d2+ -0.71304 6 3d1- -0.42436 6 3d0 -2.95603
6 3d2+-13.69623 6 3d1--17.98879 6 4f1- 0.50488 6 4f3- -0.52460 6 4f2+ -1.15939
7 1s -0.46998 7 1s -21.40000 7 2pz -2.17347 7 2pz 0.91129 7 3d0 1.19841
7 3d2+ -0.80099 7 3d1- 2.56822 8 1s 0.50945 8 1s 29.20513 8 2py -1.38122
8 2pz 0.61641 8 2py 3.52720 8 2pz 2.07362 8 3d0 0.90893 8 3d2+ 0.56037
9 1s -1.64199 9 1s -3.44962 9 2py -0.68981 9 2pz 1.80113 9 2py -4.76257
9 2pz -1.63387 9 3d2+ 1.36493 9 3d1- 0.63706 10 1s -0.66463 10 1s -51.00766
10 2py 0.46167 10 2pz -0.74545 10 2pz -5.05233 10 3d0 -1.25658 10 3d2+ 1.55139
10 3d1- -3.18966 11 1s 2.94887 11 1s 36.79458 11 2py -0.31317 11 2pz -1.04798
11 2py -2.54949 11 2pz -4.48596 11 2px 3.18109 11 3d1- 1.04283 11 3d2- -0.41140
11 3d1+ 0.42147
61.1 0.00000 0.43022 1 1s -54.16090 1 1s -18.86194 1 2pz -0.39674 1 2py 19.27948 1 2pz -28.59745
1 2py -0.34504 1 2pz 0.64501 1 3d0 -0.67482 1 3d2+ 0.25963 1 3d0 2.04733
1 3d2+ -0.59029 1 3d1- 11.03765 1 4f1- 3.64131 1 4f0 0.74142 1 4f3- 0.37371
1 4f2+ 1.09052 2 1s 0.96950 2 1s 44.84252 2 1s 9.99128 2 2pz -0.94254
2 2py -0.75381 2 2pz -48.90920 2 2py 5.92385 2 2pz -3.17840 2 3d1- -0.50285
2 3d0 4.29507 2 3d2+ 5.56242 2 3d1--11.94840 2 4f1- 0.60020 2 4f2+ 1.24776
3 1s 44.22635 3 1s -26.75741 3 2py 0.30409 3 2py 10.53561 3 2pz -13.65568
3 2py -11.40278 3 2pz -5.05781 3 3d0 0.56282 3 3d0 -6.46411 3 3d2+ -1.77224
3 3d1- -5.57818 3 4f1- -3.17395 3 4f0 1.56416 3 4f2+ 0.54492 4 1s -4.89987
4 1s 22.65762 4 2py -1.87175 4 2pz -0.65099 4 2py 4.41607 4 2pz 4.73515
4 3d0 4.02172 4 3d2+ 0.83496 4 3d1- 1.84311 4 4f1- 0.31559 5 1s -2.75978
5 1s -15.31325 5 2py 0.52601 5 2py -0.61809 5 2pz 1.95848 5 3d0 1.23803
5 3d1- 0.36242 6 1s -0.51552 6 1s -18.35581 6 1s 31.24573 6 2pz 0.29690
6 2py 1.98288 6 2pz 14.93043 6 2py 0.33816 6 2pz 0.26069 6 3d2+ 0.27932
6 3d1- 0.31656 6 3d0 2.94020 6 3d2+ 0.75327 6 3d1- -4.44114 6 4f1- -0.87844
6 4f0 -2.31382 6 4f3- 0.58305 6 4f2+ -0.72014 7 1s 1.71364 7 1s -12.30684
7 2py 0.61403 7 2pz 0.99608 7 2py -3.44798 7 2pz -7.68528 7 3d0 -3.45192
7 3d2+ 0.75776 7 3d1- -3.46068 8 1s 2.17186 8 1s -15.61143 8 2py 0.65102
8 2pz -0.33343 8 2pz -1.50853 8 3d2+ 0.78834 8 3d1- 1.30979 9 1s -0.81950
9 1s 8.23002 9 2py -0.64171 9 2pz 0.91957 9 2py -1.91910 9 2pz -2.75257
9 3d2+ 0.44251 9 3d1- 0.59649 10 1s 0.74079 10 1s 18.31550 10 2py 0.91939
10 2pz 1.23458 10 2pz 0.54324 10 3d0 1.72975 10 3d2+ 0.38522 10 3d1- 1.67415
11 1s -0.81881 11 1s -7.93824 11 2py -0.76900 11 2pz 0.39449 11 2px 0.29413
11 2py -5.23649 11 2pz 2.77068 11 2px -1.19488 11 3d1- 0.40669 11 3d2- -1.10561
11 3d1+ 1.14730
62.1 0.00000 0.43509 1 1s 2.08264 1 1s 118.81602 1 1s 9.86906 1 2py -0.28863 1 2pz -0.74171
1 2py -36.97996 1 2pz 38.19735 1 2py -2.54806 1 2pz -0.41797 1 3d2+ -0.31911
1 3d0 -10.50149 1 3d2+ -1.43369 1 3d1--17.69883 1 4f1- -1.15914 1 4f0 -1.74188
1 4f2+ -1.27619 2 1s -0.39608 2 1s -16.25209 2 1s -4.53452 2 2py -0.51611
2 2pz 94.15235 2 2pz 2.79314 2 3d0 -31.65345 2 3d2+-16.14765 2 3d1- 15.56451
2 4f1- -4.45990 2 4f0 0.67296 2 4f3- -0.62916 2 4f2+ -1.64963 3 1s -0.38446
3 1s 10.85646 3 1s 1.44350 3 2py 56.52488 3 2pz 35.79291 3 2py 4.63507
3 2pz -0.57217 3 3d0 0.65851 3 3d0 -14.64459 3 3d2+ -9.13517 3 3d1- -1.91442
3 4f1- -3.92493 3 4f0 -2.11843 3 4f3- -3.41307 3 4f2+ -2.07976 4 1s -2.02784
4 1s 32.08875 4 2py -1.07944 4 2pz 1.48047 4 2py 4.77130 4 2pz 2.74297
4 3d0 0.26132 4 3d0 4.97289 4 3d2+ 0.43319 4 3d1- 2.70462 4 4f1- 0.71608
5 1s 0.27329 5 1s -5.90548 5 1s -20.71406 5 2py 0.87204 5 2pz 2.17484
5 2py -0.29861 5 2pz 3.72338 5 3d0 0.67371 6 1s -1.22313 6 1s -66.15182
6 1s -7.06037 6 2py 38.98793 6 2pz 5.51363 6 2py -1.11310 6 2pz -0.51260
6 3d0 7.37639 6 3d2+ 2.44296 6 3d1--13.00692 6 4f0 -1.07007 6 4f3- -0.54446
6 4f2+ -1.10580 7 1s -1.10819 7 1s 6.65036 7 2py 0.68605 7 2pz -1.10646
7 2py 8.81230 7 2pz 5.32575 7 3d0 1.82233 7 3d1- 3.66694 8 1s -2.64180
8 1s 36.99791 8 2py -1.43407 8 2pz -1.04507 8 2pz 1.00631 8 3d0 -0.50958
8 3d2+ 0.63739 8 3d1- -1.36021 9 1s 0.67766 9 1s -48.69939 9 2pz -0.46870
9 2py -3.29354 9 2pz 6.58876 9 3d0 -1.00861 9 3d2+ -0.89521 9 3d1- 0.82910
10 1s 0.27525 10 1s -37.50968 10 2pz 0.50568 10 2py 2.74093 10 2pz 9.77311
10 3d0 -1.48754 10 3d1- -2.05632 11 1s -3.95191 11 2py 0.59483 11 2pz -0.34562
11 2px -0.32986 11 2py 0.53875 11 2pz 0.75527 11 2px 0.81245 11 3d1- 0.30809
11 3d2- -0.54124
63.1 0.00000 0.45156 1 1s 0.49455 1 1s 39.86977 1 1s -32.02929 1 2py 0.33931 1 2py -15.46783
1 2pz 8.52629 1 2py -0.76020 1 2pz -0.81547 1 3d0 -0.67500 1 3d2+ -0.32907
1 3d1- -0.41965 1 3d0 -9.87061 1 3d2+ -3.94548 1 3d1--24.41934 1 4f1- -0.45225
1 4f0 -2.70182 1 4f3- -1.05069 1 4f2+ 0.28142 2 1s 0.98341 2 1s -9.56140
2 1s 33.88439 2 2py 0.52666 2 2pz 0.68989 2 2py -4.70766 2 2pz 60.61422
2 2py 1.47786 2 2pz -8.20221 2 3d0 0.34729 2 3d0 4.53611 2 3d2+ -4.18450
2 3d1- -9.90075 2 4f0 0.41430 2 4f2+ 0.26325 2 4f1- -2.59943 2 4f0 3.19272
2 4f3- -1.47602 2 4f2+ 3.30159 3 1s -42.72269 3 1s 22.17347 3 2py 18.78054
3 2pz -4.48417 3 2py 6.13442 3 2pz 5.00000 3 3d2+ 0.68685 3 3d1- -0.75974
3 3d0 12.32612 3 3d2+ 14.44884 3 3d1--23.56662 3 4f1- -3.10336 3 4f0 -3.18939
3 4f2+ -2.26603 4 1s -4.20955 4 1s -46.45687 4 2py 1.63706 4 2pz -1.74638
4 2py -8.15854 4 2pz 5.13474 4 3d0 -1.06683 4 3d2+ -1.21548 4 3d1- -0.31459
5 1s 1.46124 5 1s 12.38177 5 2py -1.04126 5 2pz -0.96192 5 2py 2.27390
5 2pz -3.26135 5 3d0 -0.42774 5 3d2+ -0.34050 5 3d1- 0.25303 6 1s -0.47507
6 1s 17.82331 6 1s -25.46675 6 2pz -0.66875 6 2py -28.36472 6 2pz 5.53643
6 2pz 1.11058 6 3d0 0.27962 6 3d2+ -0.34543 6 3d0 4.20352 6 3d2+ -3.34180
6 3d1- -2.60110 6 4f1- -0.57065 6 4f0 -1.60757 6 4f3- 1.93609 6 4f2+ -0.58541
7 1s -1.03282 7 1s -45.69565 7 2py 1.74097 7 2pz -0.87678 7 2py 1.22366
7 2pz -4.01606 7 3d0 -4.40979 7 3d2+ 1.80981 7 3d1- -2.10573 8 1s 0.53841
8 1s 38.15725 8 2py -0.67223 8 2pz 0.98352 8 2py 3.10924 8 3d0 -1.11745
8 3d2+ 0.73778 8 3d1- 1.06142 9 1s 1.34958 9 2py -0.49827 9 2pz 1.63431
9 2py 1.36771 9 2pz 2.19350 9 3d1- 1.07590 10 1s -1.43675 10 1s 25.25137
10 2py 1.31057 10 2pz 0.31229 10 2py -0.96571 10 2pz -6.87094 10 3d0 2.79962
10 3d2+ -0.63690 10 3d1- 4.29649 11 1s -1.12040 11 1s 16.71285 11 2py 6.10428
11 2pz -4.64772 11 2px -1.21908 11 3d0 0.31064 11 3d2- 1.58285 11 3d1+ 0.41944
64.1 0.00000 0.45374 1 1s 1.76301 1 1s 18.45261 1 1s 10.80298 1 2py 0.32606 1 2pz 1.27630
1 2py 2.71053 1 2pz 17.07141 1 2py 0.79844 1 2pz 1.07045 1 3d0 1.04506
1 3d0 5.67318 1 3d2+ 1.91566 1 3d1- -0.86860 1 4f1- 0.82032 1 4f0 1.42696
1 4f3- 0.85150 1 4f2+ 0.45441 2 1s -0.29919 2 1s -44.97886 2 1s -38.12937
2 2pz 0.37313 2 2py 7.76099 2 2pz -21.33674 2 2py 4.30904 2 2pz -2.41981
2 3d0 -0.70038 2 3d1- 1.23021 2 3d0 -12.30732 2 3d2+ -4.51545 2 3d1- 9.69308
2 4f0 -0.46882 2 4f2+ -0.38213 2 4f0 -1.99067 2 4f3- 0.60453 2 4f2+ -2.08607
3 1s 0.63024 3 1s 23.85211 3 1s 13.86358 3 2py -0.72154 3 2pz 0.79043
3 2py -34.40568 3 2pz 20.22611 3 2py -13.37023 3 2pz -10.34810 3 3d0 -0.60417
3 3d2+ -0.46461 3 3d1- 0.61620 3 3d0 -10.29201 3 3d2+ -8.21628 3 3d1- 26.80144
3 4f0 0.27382 3 4f1- -1.17147 3 4f0 3.98034 3 4f3- 0.38055 3 4f2+ 2.90464
4 1s 18.74706 4 2py -2.11546 4 2pz 0.45270 4 2py 3.20486 4 2pz -2.05763
4 3d0 -1.90988 4 3d2+ 0.36036 4 3d1- 1.36854 5 1s 1.25632 5 1s 4.57415
5 2pz -0.32418 5 2py 0.61193 5 2pz 0.56023 5 3d0 -1.04939 5 3d2+ -0.70683
6 1s -5.19743 6 1s -0.48711 6 2py -0.40853 6 2pz 3.39450 6 2py 1.89958
6 2pz 4.64250 6 3d2+ -0.25240 6 3d0 0.85405 6 3d2+ 6.11064 6 3d1- 22.63157
6 4f1- -1.30196 6 4f0 -0.39119 6 4f2+ 2.26186 7 1s 0.51489 7 1s 7.64144
7 2py 0.44091 7 2pz 0.25280 7 2py 3.24128 7 2pz 2.65221 7 3d1- 0.70622
8 1s 9.38164 8 2pz -0.89357 8 2py -3.21398 8 2pz 2.03273 8 3d2+ 1.20164
8 3d1- -1.03513 9 1s 0.44662 9 1s -14.09890 9 2py 0.29043 9 2pz -1.14816
9 2py -3.20462 9 2pz 0.38690 9 3d0 -0.78023 9 3d1- -0.39361 10 1s 40.27349
10 2py 0.94940 10 2py 3.44660 10 2pz 6.72228 10 3d0 -1.96235 10 3d2+ 0.67346
10 3d1- 1.23162 11 1s 0.35858 11 1s -29.45166 11 2py -1.12327 11 2pz -0.69756
11 2px 1.10157 11 2py -2.97448 11 2pz 0.45021 11 2px -5.98024 11 3d0 1.18696
11 3d1- -0.27635 11 3d2- -0.49706 11 3d1+ -0.60580
65.1 0.00000 0.46109 1 1s 1.06780 1 1s 10.58722 1 1s -8.63633 1 2py -0.63433 1 2pz -0.53081
1 2py -7.96380 1 2pz -13.89889 1 2py -3.04104 1 3d0 0.27675 1 3d1- 0.33520
1 3d0 -10.05259 1 3d2+ -7.04392 1 3d1- -5.32932 1 4f1- 1.07708 1 4f0 -1.81272
1 4f2+ -1.11669 2 1s 25.31906 2 1s -12.20547 2 2py -0.44501 2 2pz -0.38132
2 2py 30.04589 2 2pz 6.89744 2 2py 5.59916 2 2pz 1.56282 2 3d0 -0.51261
2 3d2+ -0.25923 2 3d0 -14.40349 2 3d2+ -5.47910 2 3d1- -1.87728 2 4f1- -0.46942
2 4f0 1.29663 2 4f3- 0.87484 2 4f2+ 1.28618 3 1s -19.14262 3 1s 9.01997
3 2py -1.91877 3 2py -13.07871 3 2pz 23.69176 3 2py -5.66604 3 2pz -6.94511
3 3d0 0.66434 3 3d2+ 0.50552 3 3d0 -8.54415 3 3d2+ -4.54260 3 3d1- 8.38997
3 4f1- -1.61841 3 4f0 1.31673 3 4f3- 0.30695 3 4f2+ 1.78771 4 1s -1.52875
4 1s 16.22754 4 2py -1.90032 4 2pz 3.34179 4 2py 1.57603 4 2pz 10.59285
4 3d0 1.74330 4 3d1- 1.86250 5 1s -3.10866 5 1s -12.70952 5 2py 1.58265
5 2pz 1.66328 5 2py 4.32393 5 2pz 2.14296 6 1s 0.99107 6 1s -0.64302
6 1s 5.46813 6 2py -0.95475 6 2py -19.36472 6 2pz 2.02603 6 2py 1.27317
6 2pz -3.09178 6 3d0 -0.91800 6 3d2+ -0.58466 6 3d1- 0.36118 6 3d0 -3.00149
6 3d2+ -1.49094 6 3d1- 12.95571 6 4f1- -1.24287 6 4f0 1.54688 6 4f3- 1.62803
6 4f2+ 0.40857 7 1s 0.51316 7 1s -21.74002 7 2pz -0.70902 7 2py -7.81338
7 2pz -10.40831 7 3d0 -1.92197 7 3d1- -0.83341 8 1s -1.24440 8 1s 3.11012
8 2py -1.70491 8 2pz -0.68882 8 2py -2.76777 8 2pz 0.43815 8 3d0 0.37215
8 3d2+ 1.28550 9 1s -0.77989 9 1s -12.47700 9 2py -1.23667 9 2pz 0.58636
9 2py -4.23953 9 3d0 -1.17251 9 3d2+ 1.46227 9 3d1- -0.54274 10 1s 1.54837
10 1s 38.99985 10 2pz -0.59466 10 2py -4.15892 10 2pz -8.53076 10 3d0 0.43962
10 3d2+ -0.30339 10 3d1- 1.50355 11 1s -0.31709 11 1s -9.42435 11 2pz 1.08062
11 2py 1.87754 11 2pz 2.56518 11 2px -1.02496 11 3d0 -1.28734 11 3d2+ 0.72810
11 3d1- -0.85684 11 3d2- 0.84174 11 3d1+ -0.75354
66.1 0.00000 0.47989 1 1s -32.51819 1 1s -10.29851 1 2py 0.60612 1 2pz -0.50243 1 2py 20.44718
1 2pz 1.89649 1 2py 0.44124 1 2pz -0.49838 1 3d0 0.27311 1 3d0 7.79764
1 3d2+ 0.35609 1 3d1- 6.83975 1 4f1- 0.97557 1 4f3- 0.53013 2 1s 11.45492
2 1s 5.21000 2 2py -0.93360 2 2pz -0.32851 2 2py -33.38458 2 2pz -7.21740
2 2py 1.68608 2 2pz 0.75718 2 3d0 35.72708 2 3d2+ 22.92588 2 3d1- -7.28097
2 4f1- 4.03860 2 4f0 -0.41278 2 4f3- 1.40068 2 4f2+ 1.09576 3 1s -46.09939
3 1s -1.97241 3 2pz -0.64865 3 2py 19.15348 3 2pz -64.70164 3 2py -0.45413
3 2pz -4.52049 3 3d2+ 0.46362 3 3d1- 0.55346 3 3d0 18.42334 3 3d2+ 8.25582
3 3d1--44.78055 3 4f1- 3.04573 3 4f2+ 2.57192 4 1s 7.51410 4 1s -34.93123
4 2py 1.83890 4 2pz -4.35052 4 2py -5.78003 4 2pz -1.36245 4 3d2+ -0.78539
4 4f1- -0.35430 5 1s 0.59915 5 1s 4.90661 5 2py -0.36428 5 2pz -0.62461
5 2py -1.90476 5 2pz -0.28560 5 3d0 0.26289 6 1s 1.54564 6 1s 42.01287
6 1s 14.09994 6 2py -24.11031 6 2pz 26.88951 6 2py -1.29462 6 2pz 2.84546
6 3d2+ -0.43065 6 3d0 -9.13173 6 3d2+ -9.33171 6 3d1--21.48541 6 4f1- 2.89773
6 4f0 0.68841 6 4f3- -0.57861 6 4f2+ -1.22206 7 1s -0.41139 7 1s 1.25596
7 2py 1.04231 7 2py -1.17502 7 2pz -2.65603 7 3d2+ 1.07718 7 3d1- -0.51802
8 1s 0.27156 8 1s -14.55620 8 2py -0.43998 8 2pz -0.75615 8 2py -2.00951
8 2pz -1.41183 8 3d0 -0.31896 8 3d2+ 1.05963 8 3d1- -0.34799 9 1s -2.46643
9 1s 39.92596 9 2py -0.33295 9 2pz 0.41989 9 2py 0.57741 9 2pz -3.24749
9 3d0 0.30528 9 3d2+ 0.52706 10 1s -0.92600 10 1s -19.45877 10 2pz -0.38973
10 2py -0.71718 10 2pz -4.98187 10 3d0 2.29794 10 3d2+ 1.98540 10 3d1- 0.75615
11 1s -0.25912 11 1s 24.66858 11 2py 0.26429 11 2pz -1.04502 11 2px -1.72989
11 2py -2.64292 11 2pz 0.30140 11 2px 2.17284 11 3d2+ -1.68470 11 3d1- 0.49245
67.1 0.00000 0.48791 1 1s 1.58937 1 1s 88.29755 1 1s 3.79637 1 2py 0.52702 1 2py -21.41009
1 2pz 43.12641 1 2py 1.58160 1 2pz 0.54604 1 3d2+ -0.59695 1 3d0 8.49811
1 3d2+ 1.58891 1 4f1- 2.38043 1 4f0 -0.70446 1 4f3- 0.63329 1 4f2+ -0.72728
2 1s -0.28318 2 1s -40.48813 2 1s -13.72809 2 2py 1.37065 2 2pz 0.58363
2 2py -10.90964 2 2pz 81.83180 2 2py -2.92343 2 3d0 0.25855 2 3d2+ 0.84445
2 3d0 -0.52913 2 3d2+ 2.80255 2 3d1- 20.74779 2 4f1- 0.54180 2 4f2+ -1.85679
3 1s -0.73545 3 1s -65.19327 3 1s 21.52327 3 2pz 0.25352 3 2py 0.57504
3 2pz -0.85570 3 2py 12.25802 3 2pz 28.74744 3 2py 0.28859 3 2pz -4.87035
3 3d0 -0.60568 3 3d0 3.40395 3 3d2+ -2.29223 3 3d1- -6.72883 3 4f1- -0.55072
3 4f0 -1.13327 3 4f3- -1.70453 3 4f2+ -0.47261 4 1s 2.41524 4 1s -9.38949
4 2py 3.81102 4 2py 0.25912 4 2pz 4.57191 4 3d0 -0.25048 4 3d2+ -2.61255
4 3d1- -0.96150 4 4f3- -0.33488 4 4f2+ 0.27965 5 1s -1.89309 5 1s -4.59386
5 2py 0.97699 5 2pz 1.42898 5 2py 1.21177 5 2pz 0.41817 5 3d0 -0.25388
5 3d1- -0.67621 6 1s 0.46350 6 1s 3.69133 6 1s -11.06590 6 2py 0.45821
6 2pz -1.25104 6 2py 12.03292 6 2pz -18.53880 6 2py -0.33204 6 2pz 3.11012
6 3d0 0.31569 6 3d2+ -0.47345 6 3d1- -0.74147 6 3d2+ -2.60934 6 4f0 1.58074
6 4f3- -2.36123 6 4f2+ 1.95572 7 1s -1.24043 7 1s 34.99452 7 2py 2.36643
7 2pz -0.81110 7 2py -2.66149 7 3d0 -0.81113 7 3d2+ 1.83880 7 3d1- 1.69067
8 1s -0.63139 8 2py -0.94917 8 2pz -1.32778 8 2py -1.04340 8 2pz 0.27817
8 3d0 -0.58137 8 3d2+ 1.01367 8 3d1- 0.60678 9 1s 2.91138 9 1s 7.57065
9 2py 0.26482 9 2py 2.52057 9 2pz -1.50645 9 2py 2.21397 9 2pz 1.17301
9 3d0 0.26860 9 3d2+ -1.31860 9 3d1- -1.49280 10 1s -3.61927 10 1s -36.45813
10 2pz -2.61397 10 2py 7.45231 10 2pz -0.58275 10 3d0 -1.03301 10 3d2+ 3.13199
10 3d1- -3.18371 11 1s 1.61609 11 1s 14.70591 11 2py 0.34263 11 2pz -0.27139
11 2px 0.50581 11 2py -1.65989 11 2pz -0.84826 11 3d0 -0.72860 11 3d2+ -0.62504
11 3d1- 0.36929 11 3d2- -0.28800 11 3d1+ 0.61428
68.1 0.00000 0.50213 1 1s -0.58151 1 1s 154.31851 1 1s -22.21164 1 2py -1.04769 1 2pz -0.83506
1 2py -69.53958 1 2pz 42.79186 1 2py 3.72944 1 2pz 1.03891 1 3d0 0.29989
1 3d2+ -0.70571 1 3d1- 0.54993 1 3d0 -36.48534 1 3d2+-17.42650 1 3d1--47.66352
1 4f0 -0.25732 1 4f1- -0.51657 1 4f0 -7.66517 1 4f3- 1.46487 1 4f2+ -3.97826
2 1s -1.30957 2 1s -18.35816 2 1s 2.25924 2 2pz 0.43081 2 2py 33.21644
2 2pz 167.85809 2 2py 2.40301 2 2pz -10.77165 2 3d1- -1.34265 2 3d0 -40.91039
2 3d2+-20.37571 2 3d1- 11.74117 2 4f0 0.29667 2 4f1- 2.08134 2 4f0 0.31786
2 4f3- 0.99775 2 4f2+ -1.16050 3 1s -0.51359 3 1s -64.68278 3 1s 32.92610
3 2py -0.56417 3 2py 39.45449 3 2pz 38.56594 3 2py -6.33655 3 3d0 0.67202
3 3d2+ 0.59774 3 3d0 -11.33833 3 3d2+ -5.73155 3 3d1--14.18351 3 4f0 -0.32338
3 4f1- -2.31254 3 4f0 -4.94497 3 4f3- -1.44197 3 4f2+ -1.61226 4 1s -1.19605
4 2py 2.02177 4 2py 1.54480 4 2pz 4.52901 4 3d0 1.32198 4 3d2+ -1.24729
4 3d1- 2.92397 4 4f0 -0.36113 4 4f2+ -0.39016 5 1s -1.00066 5 1s -3.10890
5 2py -0.93490 5 2pz 0.53419 5 2py 2.07407 5 2pz 0.41230 5 3d2+ 0.31462
5 3d1- 0.97440 6 1s -1.31717 6 1s -38.21713 6 1s -24.61812 6 2py -0.51092
6 2py 3.11408 6 2pz 16.46052 6 2py 2.06712 6 2pz 0.63227 6 3d0 -0.39517
6 3d1- 0.96089 6 3d0 5.71479 6 3d2+ 1.04305 6 3d1- -3.64367 6 4f1- -2.29746
6 4f0 -1.24432 6 4f3- 1.85226 6 4f2+ -0.83641 7 1s 1.18889 7 1s -31.69634
7 2py 0.32111 7 2pz -2.58689 7 2py 2.21462 7 2pz 7.31518 7 3d0 0.94731
7 3d2+ -0.25129 7 3d1- 0.99026 8 1s -4.01440 8 1s 83.73725 8 2py -3.46705
8 2pz -1.46412 8 2py 4.65119 8 2pz -2.92157 8 3d0 -1.69840 8 3d2+ 3.78489
8 3d1- -1.04120 9 1s -1.61667 9 1s -62.79755 9 2py 0.79365 9 2pz -1.92449
9 2py -4.52293 9 2pz -0.99533 9 3d0 0.28341 9 3d2+ -1.74990 9 3d1- -1.66136
10 1s 3.10269 10 1s 12.20088 10 2py 0.56558 10 2pz 1.14630 10 2py -0.47037
10 2pz 0.85414 10 3d0 -0.35563 10 3d2+ -1.53392 10 3d1- 1.58714 11 1s -1.20728
11 1s -0.81618 11 2py 5.64080 11 2pz -0.89445 11 2px -4.35143 11 3d0 0.43327
11 3d1- 0.88874 11 3d2- 1.42477
69.1 0.00000 0.51414 1 1s -0.96247 1 1s -69.27988 1 1s -18.47095 1 2pz -0.91877 1 2py 27.98180
1 2pz -17.85504 1 2py 4.67126 1 2pz 3.91276 1 3d0 1.08874 1 3d2+ 0.66970
1 3d1- 1.03472 1 3d0 6.14031 1 3d2+ 4.69796 1 3d1- 5.78518 1 4f0 0.43074
1 4f2+ 0.33652 1 4f1- -1.61463 1 4f0 0.77547 1 4f2+ 0.80987 2 1s 0.98486
2 1s 9.30305 2 1s 17.66020 2 2py -0.78131 2 2py 11.60365 2 2pz -82.23581
2 2pz -11.18394 2 3d0 0.61252 2 3d1- 0.45335 2 3d0 13.21529 2 3d2+ 2.83067
2 3d1- -0.64910 2 4f0 -0.51527 2 4f1- 0.66264 2 4f0 -5.27678 2 4f3- -0.93969
2 4f2+ -1.76551 3 1s -0.29895 3 1s -10.73676 3 1s 1.36875 3 2py -56.31329
3 2pz -8.88541 3 2py -4.19199 3 3d0 -0.56776 3 3d1- 0.33441 3 3d0 4.92024
3 3d2+ 4.28412 3 3d1- 6.19151 3 4f1- 1.37851 3 4f0 1.89244 3 4f3- 1.30487
4 1s -0.45554 4 1s -8.09566 4 2py 0.56871 4 2pz -1.34764 4 2py 0.35533
4 2pz 5.64594 4 3d0 0.70933 4 3d2+ 0.33452 4 3d1- -0.80163 5 1s -2.27444
5 2pz 0.39712 5 2py 0.64456 5 2pz -0.79676 5 3d2+ -0.25338 6 1s 0.59494
6 1s 43.89928 6 1s -3.83743 6 2pz -0.53054 6 2py -32.65377 6 2pz -10.34279
6 2py 1.06399 6 2pz 2.69411 6 3d2+ -0.25146 6 3d0 -3.98647 6 3d2+ -3.97072
6 3d1- 7.78325 6 4f1- 0.88955 6 4f0 -0.46044 6 4f2+ 0.25311 7 1s 1.97950
7 1s -7.73049 7 2py -1.46937 7 2pz 0.78532 7 2pz 3.00089 7 3d0 0.35920
7 3d2+ -0.52813 7 3d1- -2.83560 8 1s -2.12686 8 1s -14.92881 8 2py 0.48324
8 2pz -1.76431 8 2py 1.08902 8 2pz -7.50970 8 3d0 -3.27445 8 3d2+ -0.93279
9 1s 25.93250 9 2py -1.07320 9 2py 1.15408 9 2pz 4.74594 9 3d0 1.12107
9 3d2+ 1.50167 9 3d1- 1.83072 10 1s -1.68418 10 1s 23.15425 10 2py 0.74232
10 2pz -2.30480 10 3d0 1.53657 10 3d1- 2.77412 11 1s 0.33206 11 1s 11.11914
11 2py -0.62481 11 2px 0.26480 11 2py -1.95761 11 2pz -0.55108 11 2px -1.92294
11 3d0 0.74267 11 3d2+ -0.61557 11 3d1- -0.78567 11 3d1+ 1.13936
1.2 2.00000 -0.66640 3 2px 0.36673 4 2px 0.61970 5 2px 0.27129 6 2px 0.31760 11 1s -0.35643
2.2 2.00000 -0.57016 4 2px -0.40961 6 2px 0.61491 11 1s -0.74249 11 1s 0.26763
3.2 2.00000 -0.45321 1 2px 0.47557 2 2px 0.56796 5 2px -0.33485
4.2 2.00000 -0.34804 1 2px 0.28524 3 2px -0.27305 4 2px -0.34926 5 2px 0.76683
5.2 0.00000 0.02657 1 2px 0.39822 1 2px 1.42979 2 2px -0.27704 2 2px 0.57040 2 2px -0.96016
3 2px -0.42304 3 2px -0.39355 4 2px 0.37477 4 2px 0.36411 6 2px 0.63254
7 2px -0.48272 8 2px -0.28862 11 1s -0.39689 11 2px -0.42593
6.2 0.00000 0.05287 1 2px 1.75056 1 3d2- 0.35836 1 3d1+ -0.45858 2 2px 1.21414 2 2px -0.77878
3 2px -1.14327 3 3d2- 0.74650 3 3d1+ 0.55624 4 2px 0.32618 6 2px -0.33386
6 2px -1.57443 6 2px 4.10392 6 3d1+ -0.26813 6 3d2- 0.32966 6 3d1+ -1.24831
7 2px -1.08544 8 2px -0.76751 9 2px 0.30659 10 2px -1.35208 11 1s -0.76065
11 1s -5.55274 11 2px -0.46163 11 2px -2.98586 11 3d2+ -0.26489
7.2 0.00000 0.07019 1 2px -0.51087 1 2px 4.07810 1 3d2- 0.97694 1 3d1+ -0.94310 2 2px 2.85563
2 2px -2.33186 2 3d2- 0.42250 2 3d1+ -0.66304 3 2px -1.55466 3 2px 3.33579
3 3d2- -0.41749 3 4f2- -0.26182 4 2px -0.33025 6 2px 0.44161 6 2px 3.15723
6 2px -6.07817 6 3d1+ 0.30152 6 3d2- -0.29488 6 3d1+ 1.60762 7 2px -2.10490
8 2px -0.25132 8 2px -1.23780 10 2px 2.51724 10 3d2- -0.30617 11 1s 0.99004
11 1s 8.56501 11 2px 0.53325 11 2pz -0.31813 11 2px 3.35722 11 2py -0.49550
11 2pz -0.50423
8.2 0.00000 0.08271 1 2px -0.35724 1 2px -4.92906 1 3d1+ 0.42257 2 2px 2.67564 2 2px 7.47231
2 3d2- -0.42901 2 3d1+ 1.44286 3 2px -0.79115 3 2px -2.10471 3 3d2- 1.70597
3 3d1+ 1.45592 4 2px -0.26616 4 2px -0.52943 4 3d2- -0.36600 4 3d1+ -0.32262
5 2px 0.33723 5 2px 0.53898 6 2px 1.08053 6 3d2- 1.22676 6 3d1+ 0.52446
7 2px 0.89495 8 2px 1.29557 9 2px -2.06006 9 3d2- -0.32236 10 2px -0.36390
11 1s 0.43195 11 1s 4.95505 11 2px 0.76305 11 2py -0.56490
9.2 0.00000 0.11028 1 2px 1.21448 1 2px -3.21443 1 3d1+ 0.50826 2 2px 1.35268 2 2px 10.30863
2 3d2- -0.50447 2 3d1+ 1.72831 3 2px -2.65205 3 2px -14.44185 3 3d2- 1.28045
3 4f2- -0.34921 4 2px 0.55594 4 2px 3.44523 4 3d2- 0.40194 4 3d1+ -0.38376
5 2px -0.44288 6 2px -1.04935 6 2px 6.75472 6 3d2- 0.77184 8 2px 0.33268
9 2px -1.73506 10 2px -0.74943 11 1s -0.37556 11 1s -1.14494 11 2py 0.38062
11 2py 2.73636
10.2 0.00000 0.13296 1 2px -0.81570 1 2px -3.45986 1 3d2- -1.36882 1 3d1+ -0.78965 2 2px 6.06248
2 3d1+ 0.25241 2 4f3+ -0.25344 2 4f2- -0.28586 3 2px 3.67508 3 2px -3.78938
3 3d2- 1.12744 3 3d1+ -0.52528 3 4f1+ 0.26100 3 4f2- -0.32015 4 2px 0.60022
6 2px -0.44622 6 2px -2.36278 6 2px 0.67171 6 3d2- 2.13578 6 3d1+ 1.87478
7 2px 0.28567 7 2px 2.63122 7 3d2- -0.33582 7 3d1+ 0.26860 8 2px -1.26324
9 2px -0.42282 9 2px -1.66145 10 2px 0.35077 10 2px 0.97283 10 3d2- -0.36630
11 1s -0.61990 11 1s 1.67772 11 2px -0.51556 11 2pz 0.37234 11 2px -0.25289
11 2py 1.21590 11 2pz 1.31382 11 3d1+ 0.32227
11.2 0.00000 0.16070 1 2px -1.70410 1 2px 4.97310 1 3d2- -0.91654 1 3d1+ -2.51153 1 4f1+ -0.36382
1 4f2- -0.27176 2 2px 0.30883 2 2px 2.16549 2 2px -7.16514 2 3d2- 2.73733
2 3d1+ -1.12057 2 4f1+ -0.37638 2 4f3+ -0.48879 2 4f2- -0.40328 3 2px -0.35233
3 2px 1.10129 3 2px 4.35178 3 3d2- 0.47493 3 4f1+ -0.39234 3 4f3+ -0.25435
4 2px 0.41494 4 2px 0.77469 4 3d2- 0.25168 5 2px -0.33825 6 2px -1.25268
6 2px -2.41224 6 3d2- 0.82507 6 3d1+ 1.15842 6 4f2- -0.27098 7 2px -0.60024
7 3d1+ 0.26438 8 2px -3.37670 8 3d1+ -0.32985 9 2px 3.66548 9 3d2- 0.38114
10 2px 1.72204 10 3d2- -0.36024 11 1s 1.23058 11 2py -0.32751 11 2px -0.71224
11 2py -1.51017 11 2pz -0.47879 11 3d2+ -0.38325
12.2 0.00000 0.16736 1 2px 2.87730 1 2px -2.22696 1 3d2- -2.58429 1 3d1+ 2.46797 1 4f2- -0.38303
2 2px 0.48867 2 2px -0.68537 2 3d2- 1.49449 2 3d1+ 6.72869 3 2px -2.37434
3 2px 1.23432 3 3d2- 5.52885 3 3d1+ 2.92714 3 4f1+ -0.44698 3 4f2- -0.40127
4 2px 0.45273 4 3d1+ -0.46954 5 2px 0.36121 5 2px 0.63820 5 3d1+ -0.32130
6 2px 0.54490 6 2px 1.73885 6 2px -3.48622 6 3d1+ 0.52364 6 3d2- 3.74755
6 3d1+ 4.52418 6 4f2- -0.26768 7 2px 3.10866 7 3d2- -0.37551 8 2px 0.41076
8 2px 2.60208 8 3d2- 0.46582 9 2px 2.14826 9 3d2- 0.28825 9 3d1+ -0.53200
10 2px 2.50295 10 3d2- -0.64649 11 1s 1.56580 11 1s 19.68924 11 2px 0.75419
11 2py -0.42424 11 2px 3.43922 11 2py -1.56816 11 2pz -0.83466 11 3d2+ -0.64847
11 3d1- -0.40876
13.2 0.00000 0.18270 1 2px -1.02650 1 2px 1.52241 1 3d2- 1.03332 1 3d1+ -0.81243 2 2px -1.14898
2 2px 1.47875 2 3d2- -1.02850 2 3d1+ -3.19652 3 2px 0.90518 3 3d2- -4.34866
3 3d1+ -3.05915 3 4f2- -0.39435 4 3d2- 0.27145 4 3d1+ 0.70203 5 2px -0.55209
5 2px -0.31832 5 3d1+ 0.32272 6 2px 1.26643 6 2px 9.31260 6 2px -7.92961
6 3d1+ 0.76033 6 3d2- -2.08052 6 3d1+ 3.19242 6 4f2- -0.26695 7 2px -0.79864
8 2px -0.25921 8 2px -1.71689 8 3d2- -0.25521 9 2px -2.19999 9 3d2- -0.30929
10 2px 3.45932 11 1s 2.79630 11 1s 19.10177 11 2px 1.47070 11 2py -0.57961
11 2pz -0.85812 11 2px 9.59679 11 2pz -0.37942 11 3d2+ 1.04588
14.2 0.00000 0.18978 1 2px 0.62143 1 3d2- 2.54316 1 3d1+ 1.71391 1 4f1+ 0.45498 1 4f3+ 0.36774
1 4f2- 0.53276 2 2px -1.57518 2 2px -4.53049 2 3d2- -2.24238 2 3d1+ -0.83426
2 4f1+ 0.58959 2 4f3+ 0.66243 2 4f2- 0.56303 3 2px 4.02652 3 2px 4.36392
3 3d2- 0.95052 3 3d1+ -1.22036 3 4f3+ -0.51596 3 4f2- -0.83262 4 2px -0.33342
4 3d2- 0.28108 4 3d1+ 1.08710 5 2px -0.70652 5 2px -1.01659 5 3d1+ 0.50160
6 2px -0.48494 6 2px -2.43617 6 2px -0.85612 6 3d2- 1.53042 6 3d1+ 2.95081
6 4f1+ -0.61994 6 4f2- -0.55581 7 2px -3.17003 7 3d1+ -0.52972 8 2px 3.55486
8 3d1+ 0.46797 9 2px 0.48045 9 3d1+ 0.35095 10 2px 0.38702 10 2px 1.91799
10 3d2- -0.57630 10 3d1+ -0.43003 11 1s -0.53565 11 1s 2.28140 11 2px -0.50430
11 2pz 0.26273 11 2py 0.89766 11 2pz 3.44991 11 3d1+ 0.69068 11 3d0 -0.36938
11 3d1- -0.25414
15.2 0.00000 0.20478 1 2px 1.87884 1 2px -0.87937 1 3d2- -2.19072 1 3d1+ 1.36745 1 4f2- -0.33394
2 2px -5.11186 2 2px -1.17965 2 3d2- 0.52372 2 3d1+ 1.99202 2 4f1+ -0.26720
3 2px 6.20958 3 2px -2.28397 3 3d2- 2.50509 3 3d1+ 0.82621 3 4f1+ 0.25058
3 4f3+ -0.62621 3 4f2- 0.41321 4 2px 0.53935 4 3d1+ 0.61366 5 2px -0.53992
5 2px -1.80151 5 3d1+ 0.57117 6 2px -4.44085 6 2px 3.17592 6 3d2- 0.36574
6 3d2- 4.53890 6 4f3+ 0.32314 7 2px 3.67824 7 3d2- -0.40197 9 2px 0.26224
9 2px 3.04464 9 3d2- 0.41629 10 2px -0.26349 10 2px -4.44896 10 3d1+ -0.55025
11 1s 1.46886 11 2py 0.55178 11 2px 1.81831 11 2py 4.42046 11 2pz 1.03097
11 3d2- 0.25579 11 3d0 -0.32799 11 3d2+ 0.27393
16.2 0.00000 0.21904 1 2px 0.61929 1 3d2- 0.63653 1 3d1+ -0.81753 2 2px -0.93176 2 2px 0.44466
2 3d1+ -1.19464 3 2px -0.95433 3 2px -2.48386 3 3d2- -1.54550 3 3d1+ -1.11245
3 4f3+ 0.31081 4 2px -1.21199 4 2px -3.06226 4 3d2- -0.63969 4 3d1+ -0.88585
5 2px 1.03918 5 2px 2.86408 5 3d2- -0.30139 5 3d1+ -1.02226 6 2px 2.65095
6 2px 0.99795 6 3d1+ 1.37764 6 4f1+ 0.35001 7 2px -1.72101 7 3d2- 0.36191
7 3d1+ 0.27197 8 2px -0.55689 8 3d2- -0.25816 9 2px 1.51575 9 3d2- 0.27820
10 2px 3.04985 10 3d1+ 0.61065 11 1s 0.58554 11 1s 3.90741 11 2py 0.61142
11 2pz 0.30074 11 2py 5.14761 11 3d2- 0.70413 11 3d0 0.35632 11 3d1- -0.74569
17.2 0.00000 0.23814 1 2px 0.29738 1 2px -3.25416 1 2px 4.20075 1 3d2- 1.36233 1 3d1+ -3.80621
1 4f1+ -0.30263 2 2px 5.36996 2 2px -0.92417 2 3d2- 2.83279 2 3d1+ -3.07148
2 4f3+ -0.30487 3 2px -1.41462 3 2px -6.24717 3 3d1+ -0.33137 3 3d2- 0.37421
3 3d1+ -1.48596 3 4f1+ -0.73475 3 4f3+ -0.34895 4 2px 0.96880 4 2px 4.62253
4 3d2- 0.84832 4 3d1+ -0.59037 5 2px 0.30565 6 2px 0.30409 6 2px 1.59566
6 3d2- 1.22293 6 3d1+ 1.40373 6 4f2- -0.47846 7 2px -0.39951 7 2px -2.93931
7 3d2- 0.37634 8 2px -3.40936 8 3d2- -0.31849 9 2px 2.42932 10 2px -0.29920
10 2px -1.01590 10 3d2- -0.27559 10 3d1+ -0.32788 11 1s 0.29644 11 1s 5.05672
11 2px 0.39812 11 2px 3.13673 11 2py 1.56051 11 2pz 2.85630 11 3d0 -0.30139
11 3d2+ 0.29459 11 3d1- -0.40282
18.2 0.00000 0.25886 1 2px 0.40925 1 2px -0.39258 1 3d2- 1.73359 1 3d1+ 0.39437 1 4f3+ 0.29354
1 4f2- 0.34109 2 2px 2.52401 2 3d2- -2.53056 2 3d1+ -0.56141 2 4f1+ 0.56461
2 4f3+ 0.46278 3 2px 1.55521 3 2px -4.17008 3 3d2- 1.95818 3 3d1+ -3.17327
3 4f2- -0.76592 4 2px 0.52711 4 2px 5.20493 4 3d2- 0.47467 5 2px -0.44358
5 2px -4.18671 5 3d2- -0.26053 5 3d1+ 0.49650 6 2px 1.23992 6 2px 2.71760
6 3d2- 0.28947 6 3d2- 1.50220 6 3d1+ 3.37736 6 4f1+ 0.39549 6 4f2- -0.73915
7 2px -3.29696 7 3d1+ -0.38409 8 2px 1.29705 9 2px -2.63286 10 2px 8.25935
10 3d2- -0.40006 10 3d1+ 0.68029 11 1s 0.74248 11 1s 7.07868 11 2pz -0.29267
11 2px -3.41269 11 2py 6.54587 11 2pz -9.62864 11 3d2- 0.76486 11 3d1+ -0.89839
11 3d0 1.35810 11 3d1- -0.28918
19.2 0.00000 0.26641 1 2px -7.68008 1 2px 7.14288 1 3d1+ -0.27016 1 3d2- 2.80831 1 3d1+ -5.06731
1 4f3+ 0.25449 2 2px 10.75930 2 2px -14.55240 2 3d2- 0.28955 2 3d2- 5.89856
2 3d1+ -4.68076 2 4f1+ 0.34788 2 4f3+ -0.56203 3 2px -3.50373 3 2px 15.51019
3 3d2- -2.70742 3 3d1+ 2.98080 3 4f1+ -1.09481 3 4f3+ -0.50932 3 4f2- 0.38291
4 2px -0.28827 4 2px -4.91280 4 3d1+ 1.21771 5 2px -0.29232 5 2px -0.88159
5 3d1+ 0.32204 6 2px 0.58429 6 2px 2.37421 6 2px -6.54277 6 3d1+ 0.32079
6 3d2- -2.75216 6 3d1+ -0.68450 6 4f1+ 0.31545 6 4f3+ -0.32116 7 2px -5.45663
7 3d2- 0.68254 8 2px -1.91292 8 3d2- -0.46209 9 2px 6.97801 9 3d2- 0.48143
9 3d1+ 0.27041 10 2px 5.34049 10 3d1+ 0.66075 11 1s 1.19542 11 1s 1.62973
11 2px 0.52821 11 2py -0.63320 11 2pz -0.44023 11 2px -1.16274 11 2py -2.30397
11 2pz -4.25713 11 3d1+ -0.44148 11 3d0 0.37788 11 3d1- 0.29527
20.2 0.00000 0.29862 1 2px -1.40020 1 2px -1.26152 1 3d2- -1.59247 1 3d1+ -1.60168 1 4f1+ -0.57003
1 4f3+ -0.35582 2 2px 9.76351 2 2px 2.03102 2 3d2- 1.57599 2 3d1+ 4.63652
2 4f3+ -0.29521 2 4f2- -0.64487 3 2px 0.26883 3 2px 6.09297 3 2px 0.31614
3 3d2- 8.95956 3 3d1+ 4.28757 3 4f1+ 0.31480 3 4f2- -1.03215 4 2px -0.91287
4 2px -0.59307 4 3d2- -0.69841 4 3d1+ -0.25410 5 2px 0.30902 5 2px 0.40497
6 2px -0.46234 6 2px 0.68248 6 2px -1.78602 6 3d1+ 0.42766 6 3d2- 10.45411
6 3d1+ 8.45622 6 4f1+ -0.32744 6 4f3+ 0.85639 7 2px 1.22318 7 3d2- -0.39759
7 3d1+ -0.39859 8 2px -0.78247 8 3d1+ -0.26540 9 2px -0.41980 9 3d1+ -0.56697
10 2px 0.56800 10 2px 2.10621 10 3d2- -1.25969 10 3d1+ -0.84706 11 1s 0.65307
11 1s 28.11118 11 2px -0.78720 11 2py 0.54865 11 2pz 0.40989 11 2px 2.33488
11 2py 0.81912 11 2pz 2.12229 11 3d1+ 1.29829 11 3d0 -0.48866 11 3d2+ -1.20579
11 3d1- -0.65457
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2 2px 5.98710 2 2px 3.74294 2 3d2- -1.22157 2 3d1+ 9.20752 2 4f1+ 1.06909
2 4f3+ 0.75678 2 4f2- 0.48181 3 2px -2.73642 3 2px -3.18110 3 3d2- 0.34157
3 3d2- 10.53998 3 3d1+ 6.11638 3 4f1+ 0.28655 4 2px -0.29192 4 2px 1.29370
4 3d2- -0.97478 4 3d1+ -0.86739 5 2px 0.76176 5 2px -0.41495 5 3d1+ -0.30484
6 2px 1.08536 6 2px 5.86961 6 3d2- 0.87156 6 3d1+ 0.47270 6 3d2- 8.50191
6 3d1+ 4.47627 6 4f2- 0.51450 7 2px -0.31324 7 2px 0.77072 7 3d2- -0.32744
7 3d1+ -1.22210 8 2px 2.04433 9 2px 0.37365 9 2px -0.90367 9 3d1+ -0.49304
10 2px -0.41981 10 2px -1.58472 10 3d2- -0.69298 10 3d1+ -1.55379 11 1s 2.84512
11 1s 32.16089 11 2px 1.09855 11 2py 0.46441 11 2pz -1.00068 11 2px 4.96238
11 2py 1.41446 11 2pz -0.46498 11 3d2- 0.43145 11 3d0 -0.73200 11 3d2+ -0.89364
11 3d1- -0.45737
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1 4f2- 0.68381 2 2px 16.22866 2 2px -1.38760 2 3d2- 4.66131 2 3d1+ 5.41209
2 4f1+ 0.91080 2 4f2- 1.19430 3 2px -19.45301 3 2px 0.99983 3 3d2- 0.33081
3 3d1+ 7.39169 3 4f1+ -0.69411 3 4f2- -0.59805 4 2px -3.57079 5 2px 1.31170
6 2px -1.34759 6 2px -8.23276 6 2px 3.72510 6 3d2- -0.33214 6 3d1+ -0.83830
6 3d2- -4.46452 6 3d1+ -6.23960 6 4f1+ -0.53665 6 4f3+ -1.16158 7 2px -2.54888
7 3d1+ -1.00183 8 2px 0.25080 8 2px 2.09283 8 3d2- 0.65791 9 2px 2.75771
10 2px -0.78487 11 1s -3.80378 11 1s -30.95884 11 2px -0.26429 11 2px -1.00766
11 2py 0.93638 11 2pz 0.65316 11 2px -7.41950 11 2pz 1.52808 11 3d2- 0.32085
11 3d1- -0.30240
23.2 0.00000 0.36605 1 2px 0.25532 1 2px -11.74003 1 2px 0.86800 1 3d2- 2.32674 1 3d1+ -6.15864
1 4f1+ -1.28263 1 4f3+ -0.35523 1 4f2- 0.67255 2 2px 0.26527 2 2px 5.28113
2 2px 1.72070 2 3d2- 1.52408 2 3d1+ -9.94446 2 4f3+ -0.52354 2 4f2- -0.30743
3 2px -7.12581 3 2px -1.48567 3 3d2--12.77521 3 3d1+ -5.29162 3 4f1+ 1.00623
3 4f3+ 1.72892 4 2px 0.37298 4 2px -1.31993 4 3d1+ -0.40322 5 2px -0.40029
5 2px 0.51358 5 3d2- -0.26111 6 2px 0.98571 6 2px 21.78020 6 2px -2.26110
6 3d1+ 0.63735 6 3d2- -7.64304 6 3d1+ 0.73710 6 4f3+ 0.55235 6 4f2- 0.93280
7 2px -2.86467 8 2px -2.14158 8 3d2- 1.07762 8 3d1+ -0.49606 9 2px -0.43002
9 2px -0.88680 9 3d1+ 1.00987 10 2px 0.34788 10 2px 3.63295 10 3d2- 1.23417
10 3d1+ 0.30083 11 1s 3.24191 11 1s 13.26943 11 2px 0.51492 11 2py 0.30509
11 2pz -0.43376 11 2px 4.90356 11 2py 1.63730 11 2pz -1.54259 11 3d2- 0.49429
11 3d0 0.59626 11 3d2+ 1.42798 11 3d1- 0.50436
24.2 0.00000 0.38680 1 2px 19.61704 1 2px -0.27333 1 3d1+ 0.30297 1 3d1+ 10.67475 1 4f1+ 1.56927
1 4f2- 1.04027 2 2px -18.06850 2 2px 0.28261 2 3d1+ 0.37657 2 3d2- -9.16547
2 3d1+ 8.39353 2 4f1+ 0.49025 2 4f3+ 1.71020 2 4f2- 0.68734 3 2px 1.71320
3 2px 0.82632 3 3d2- 1.66648 3 4f1+ 1.11512 3 4f3+ 0.90391 3 4f2- -1.05522
4 2px -0.60151 4 2px -1.88203 4 3d2- -0.40882 4 3d1+ 0.51506 4 4f1+ 0.34263
5 2px -0.85122 5 2px 1.09768 5 3d1+ 0.33572 6 2px 5.11445 6 2px -0.85971
6 3d2- 1.00052 6 3d1+ 1.64002 6 4f3+ 0.90806 6 4f2- 0.60659 7 2px -0.48764
7 3d2- 0.62765 7 3d1+ -1.99281 8 2px -0.82802 8 2px 2.72272 9 2px 1.09798
9 2px -2.38382 9 3d2- 0.52386 9 3d1+ -0.72138 10 2px 0.25805 10 2px -2.82661
10 3d2- 0.73219 10 3d1+ -0.67085 11 1s 0.44283 11 1s 9.01618 11 2px -0.40341
11 2py 0.28445 11 2px 2.44209 11 2py -1.51027 11 2pz 3.45422 11 3d1+ 1.02505
11 3d2+ 0.52493
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1 4f1+ -0.30678 1 4f3+ -0.65520 1 4f2- -0.66365 2 2px -6.21208 2 2px -1.84156
2 3d1+ 0.53360 2 3d2- 1.56774 2 3d1+ 15.67778 2 4f1+ -0.73139 2 4f2- 0.85965
3 2px -6.35694 3 2px 4.22554 3 3d2- 7.74156 3 3d1+ 4.77161 3 4f1+ -0.53508
3 4f3+ -0.64780 3 4f2- -1.16718 4 2px -0.32830 4 2px -2.16335 4 3d2- -0.39701
5 2px -0.28490 5 2px 1.18877 6 2px 1.23523 6 2px 6.76218 6 2px -5.97321
6 3d1+ 1.10906 6 3d2- 4.28844 6 3d1+ 9.68842 6 4f3+ -0.59759 6 4f2- -1.20863
7 2px 3.83086 7 3d2- -0.77640 7 3d1+ -0.57583 8 2px 0.29617 8 2px 2.13659
8 3d2- 1.07740 8 3d1+ -0.47083 9 2px 0.58753 9 2px 2.24607 9 3d2- 0.61449
9 3d1+ -0.78066 10 2px 0.26667 10 2px 4.41102 10 3d2- -1.74214 10 3d1+ -0.39244
11 1s 3.04197 11 1s 37.29526 11 2px 1.41245 11 2py -1.47259 11 2pz -0.49292
11 2px 5.72186 11 2py -3.65056 11 2pz -0.34977 11 3d2- -0.35914 11 3d1+ -0.34361
11 3d0 -0.58577 11 3d2+ -1.16414 11 3d1- -0.91686
26.2 0.00000 0.40239 1 2px -16.21039 1 2px 0.88811 1 3d2- 5.71871 1 3d1+ -5.20089 1 4f3+ 0.58030
2 2px 7.22807 2 2px -3.84079 2 3d2- 2.93655 2 3d1+-11.69061 2 4f3+ -0.31351
3 2px 10.68775 3 2px 2.29398 3 3d2- -1.57670 3 3d1+ -4.20953 3 4f1+ -1.47775
3 4f3+ -1.41184 3 4f2- -0.43141 4 2px 1.21500 4 3d2- 1.23408 4 3d1+ 0.70687
4 4f1+ -0.36288 5 2px -1.03989 6 2px 0.91157 6 2px -0.79390 6 3d2- 0.31911
6 3d1+ 0.75456 6 3d2- 3.20964 6 3d1+ 5.69852 6 4f3+ 1.41395 6 4f2- -0.93834
7 2px -3.45836 7 3d2- 0.28763 7 3d1+ 0.97378 8 2px 1.16950 8 2px 2.47131
8 3d1+ 1.85275 9 2px 2.58119 9 3d2- 0.30613 9 3d1+ 1.34944 10 2px 3.14065
10 3d1+ 0.54452 11 1s 2.07126 11 1s 14.31982 11 2py -0.77088 11 2px 1.68563
11 2py 2.16157 11 3d2- -0.28674 11 3d1+ 0.76945 11 3d0 0.48303 11 3d2+ 0.82042
27.2 0.00000 0.40626 1 2px 3.39224 1 2px -0.67764 1 3d2- -5.88668 1 3d1+ 0.90888 1 4f1+ -0.92297
1 4f3+ -1.03408 1 4f2- -0.75395 2 2px 0.26797 2 2px 3.01602 2 3d2- 0.33526
2 3d2- 5.67307 2 3d1+ 7.93883 2 4f1+ -1.22936 2 4f3+ -1.00962 2 4f2- -1.06843
3 2px 1.83658 3 2px -1.71415 3 3d2- 7.61393 3 3d1+ 6.13257 3 4f1+ -1.39092
3 4f3+ -0.63292 3 4f2- 0.28968 4 2px 0.49372 4 2px 0.31206 4 3d2- 0.52398
4 3d1+ -0.58037 5 2px 0.45173 5 3d2- -0.33119 5 3d1+ -0.32448 6 2px -0.26428
6 2px -11.36208 6 2px 3.14219 6 3d1+ -0.35748 6 3d2- 6.68193 6 3d1+ -2.09051
6 4f1+ 1.17851 6 4f3+ 0.99673 6 4f2- 0.52364 7 2px -0.43892 7 2px 3.32662
8 2px 0.34199 8 2px -0.38321 8 3d2- 1.14697 8 3d1+ -0.26880 9 2px 3.20646
9 3d2- 0.50047 9 3d1+ -1.61691 10 2px -0.41121 10 2px -4.17478 10 3d2- 0.99097
10 3d1+ 0.25658 11 1s -0.94415 11 1s -5.75395 11 2px -0.30372 11 2py 0.38039
11 2pz 0.51636 11 2px -2.89850 11 2py 0.42607 11 2pz -1.59939 11 3d2- -0.61254
11 3d1+ -0.55583 11 3d0 0.73038 11 3d2+ -0.25220 11 3d1- 0.52356
28.2 0.00000 0.43933 1 2px 19.45661 1 2px -1.83939 1 3d2- -0.25857 1 3d1+ 0.30475 1 3d2- -6.38677
1 3d1+ 8.71369 1 4f3+ -0.42368 1 4f2- -0.80232 2 2px -0.34562 2 2px -23.21361
2 2px 1.42171 2 3d2- -3.37804 2 3d1+ 9.85350 2 4f1+ -1.42577 2 4f2- 1.32931
3 2px 16.70398 3 2px -4.20938 3 3d2- 8.86370 3 3d1+ 1.92158 3 4f1+ 0.88168
3 4f3+ -0.94589 3 4f2- 1.20602 4 2px 0.26205 4 3d2- -0.77089 4 3d1+ -0.39363
6 2px -0.50970 6 2px -9.49677 6 2px 4.23325 6 3d2- 0.74804 6 3d2- 12.57736
6 3d1+ 2.02460 6 4f3+ 1.34927 6 4f2- 0.50737 7 2px 5.16828 7 3d2- -0.41390
8 2px 0.75429 8 3d2- 0.46711 8 3d1+ -0.78774 9 2px 0.61911 9 2px 1.88516
9 3d2- 1.24915 9 3d1+ 0.81209 10 2px -5.46923 10 3d1+ -0.70577 11 1s 8.77956
11 2px -0.76208 11 2py 1.10867 11 2py 5.26381 11 2pz 1.72986 11 3d2- 0.82259
11 3d1+ 0.80289 11 3d2+ -0.43404 11 3d1- -0.28347
29.2 0.00000 0.45504 1 2px -0.86801 1 2px -0.98139 1 3d1+ -3.09780 1 4f1+ 0.82486 1 4f3+ 0.81557
1 4f2- -1.37028 2 2px 15.91547 2 2px 0.92532 2 3d1+ 0.53047 2 3d2- 7.03653
2 3d1+ 4.11842 2 4f1+ -0.36638 2 4f3+ -1.39450 2 4f2- 1.63086 3 2px -17.27654
3 2px 1.89355 3 3d2- 0.28959 3 3d1+ 0.47982 3 3d2- -2.93556 3 3d1+ 9.10680
3 4f1+ -2.31255 3 4f3+ -0.68856 3 4f2- 0.53391 4 2px 0.50982 4 2px -3.69447
4 3d2- 0.83994 4 3d1+ 0.50562 5 2px -0.33206 5 2px 1.02887 6 2px 0.93428
6 2px 1.43944 6 2px -2.74963 6 3d2- 0.43563 6 3d1+ 0.77115 6 3d2- -3.27781
6 3d1+ -3.24137 6 4f1+ 0.76226 6 4f3+ 0.33881 6 4f2- 0.83131 7 2px 0.74228
7 2px 2.08058 7 3d2- 0.63991 7 3d1+ 2.70026 8 2px 0.36830 8 3d2- -1.81789
8 3d1+ 1.17708 9 2px -1.26783 9 3d2- -1.30472 9 3d1+ 0.74954 10 2px 0.29868
10 2px -0.52815 10 3d2- 1.11682 10 3d1+ 2.27235 11 1s 2.42561 11 1s 3.07113
11 2px 1.62811 11 2pz -0.51649 11 2px 3.26893 11 2py -1.24561 11 2pz 0.30518
11 3d2+ 1.29629
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1 4f3+ -0.31131 1 4f2- -0.41026 2 2px -11.60463 2 2px 1.52832 2 3d2- -2.48776
2 3d1+ 7.94668 2 4f1+ -1.46902 2 4f3+ -0.35716 2 4f2- 1.16838 3 2px -0.29469
3 2px 1.45947 3 2px 1.97024 3 3d2- 3.26375 3 3d1+ 7.65397 3 4f1+ 0.70685
3 4f3+ 0.43750 3 4f2- 2.64928 4 2px 1.23454 4 2px -2.00802 4 3d2- -0.96322
4 3d1+ -0.92043 4 4f1+ 0.37213 5 2px 0.61763 5 3d2- 0.47481 6 2px -0.52716
6 2px -5.56782 6 2px 1.52051 6 3d1+ -0.41179 6 3d2- 1.37453 6 3d1+ -6.49386
6 4f1+ 0.26605 6 4f2- 2.31731 7 2px 4.41161 7 3d2- -0.34365 8 2px 0.62343
8 2px 3.94424 8 3d2- 1.08701 8 3d1+ 0.70313 9 2px -0.51431 9 2px -1.94195
9 3d1+ 0.91559 10 2px 0.27556 10 2px -4.94228 10 3d2- 0.71383 11 1s -1.01730
11 1s -13.29549 11 2px -0.94357 11 2px -4.83162 11 2py -5.22936 11 3d2- -0.69097
11 3d0 -0.40843 11 3d2+ -2.33240 11 3d1- 1.45640
31.2 0.00000 0.49014 1 2px 0.26047 1 2px 11.75343 1 2px 2.49447 1 3d1+ -0.25512 1 3d2- -5.25544
1 3d1+ 1.53993 1 4f1+ -0.72864 1 4f3+ -0.95284 1 4f2- -0.86247 2 2px -7.79604
2 2px -2.57681 2 3d2- 2.79218 2 3d1+ 3.78547 2 4f1+ -1.83867 2 4f3+ -0.96266
2 4f2- 0.53737 3 2px -0.27305 3 2px 12.43343 3 2px 1.72964 3 3d2- 3.95285
3 3d1+ 1.42399 3 4f1+ -0.56728 3 4f3+ -1.64335 3 4f2- 0.48147 4 2px 0.82420
4 2px -0.47226 4 3d2- 0.79812 4 3d1+ 1.08159 5 2px -0.89046 5 2px 0.66307
5 3d2- 0.56095 5 3d1+ 0.62480 6 2px -4.38365 6 2px -1.74714 6 3d2- -0.43568
6 3d2- 7.77890 6 3d1+ 3.09729 6 4f1+ -0.86023 6 4f3+ 1.55779 6 4f2- -0.68337
7 2px -0.93718 7 2px 1.32815 7 3d2- 0.76470 7 3d1+ 0.66696 8 2px -0.65962
8 2px -3.63623 8 3d2- 0.27313 8 3d1+ -1.92031 9 2px -0.32777 9 2px 2.21141
9 3d1+ 0.59530 10 2px -5.00815 10 3d2- -0.28056 10 3d1+ -1.40928 11 1s -0.35156
11 1s 12.29613 11 2px -0.74253 11 2py -1.34372 11 2px 3.40612 11 2py -4.12486
11 2pz 5.68076 11 3d2- -1.71510 11 3d1+ 2.39665 11 3d0 -0.76663 11 3d1- 0.42120
32.2 0.00000 0.49667 1 2px 8.37173 1 2px -4.21981 1 3d2- -1.53795 1 3d1+ 9.28168 1 4f1+ 0.30144
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2 3d1+ 4.91500 2 4f1+ 0.71709 2 4f3+ 1.76833 2 4f2- 0.42275 3 2px 22.22473
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3 4f2- -0.59330 4 2px -0.68778 4 2px 2.69894 4 3d1+ 1.74367 5 2px -1.65590
5 2px -1.45659 5 3d2- 0.72533 5 3d1+ 1.20624 6 2px -0.31555 6 2px -17.17619
6 2px 1.79607 6 3d1+ -0.31281 6 3d2- 11.93686 6 3d1+ 0.99903 6 4f1+ -2.53356
6 4f3+ 1.21424 6 4f2- 0.50525 7 2px 0.50690 7 2px 4.69485 7 3d2- -2.34994
7 3d1+ -1.95215 8 2px -0.31380 8 2px 2.77691 8 3d2- 1.24107 8 3d1+ -0.88824
9 2px 0.48123 9 2px -4.65991 9 3d2- -0.56299 9 3d1+ -0.37777 10 2px 1.27602
10 2px -3.98444 10 3d2- -1.53411 10 3d1+ -2.28591 11 1s -1.96395 11 1s 3.03446
11 2py 0.99706 11 2pz -0.91494 11 2px 2.65647 11 2py 1.82570 11 2pz 3.23220
11 3d2- -1.24254 11 3d1+ 1.31353 11 3d0 -1.80209 11 3d2+ 1.09598 11 3d1- 0.54010
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1 4f3+ -0.37619 2 2px -10.30577 2 2px 7.60506 2 3d2- -6.76871 2 3d1+ 7.44388
2 4f3+ 0.84304 2 4f2- 0.97371 3 2px 22.53778 3 2px -7.68051 3 3d2- 15.76537
3 3d1+ -5.52192 3 4f1+ -0.70984 3 4f3+ -2.35370 3 4f2- -1.92970 4 2px -2.35616
4 2px 3.82231 4 3d2- -0.44377 4 3d1+ -0.56076 4 4f1+ -0.54795 5 2px 1.90305
5 3d2- -0.78959 5 3d1+ -1.20787 6 2px -0.33520 6 2px -14.63664 6 2px 3.12744
6 3d2- 14.30109 6 3d1+ 10.69114 6 4f1+ 0.90516 6 4f3+ 1.68387 6 4f2- -3.40263
7 2px -0.33138 7 2px 1.77636 7 3d1+ -0.29842 8 2px 1.04289 8 3d2- 0.65675
8 3d1+ -1.10584 9 2px -0.26612 9 2px -5.57383 9 3d2- -1.45283 9 3d1+ 0.68719
10 2px -0.74308 10 2px 1.54686 10 3d2- -0.56978 10 3d1+ 0.26896 11 1s -0.36770
11 1s 18.26354 11 2px -0.93290 11 2py -1.39939 11 2pz 0.33768 11 2px -0.63827
11 2py 4.92453 11 2pz -3.18770 11 3d2- -0.67963 11 3d1+ -0.42672 11 3d0 1.96816
11 3d1- -1.21676
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2 3d2- -6.29618 2 3d1+ -7.10018 2 4f1+ 1.55743 2 4f3+ 1.65308 2 4f2- 1.87561
3 2px 6.08134 3 2px 1.64753 3 3d2- 0.38194 3 3d2- 1.00144 3 3d1+ -1.04768
3 4f1+ -1.03098 3 4f3+ -0.44406 3 4f2- 0.54149 4 2px 0.60670 4 2px 1.11434
4 3d2- 0.69167 4 3d1+ 0.56794 5 2px -0.99020 5 3d1+ -0.29529 6 2px 0.28799
6 2px -7.89257 6 2px -1.02692 6 3d2- 0.37210 6 3d1+ 0.35495 6 3d2- 1.16290
6 3d1+ -2.36574 6 4f1+ -0.55105 6 4f3+ 0.63792 6 4f2- 1.06770 7 2px 0.59520
7 2px -3.35671 7 3d2- -0.94716 7 3d1+ -2.50478 8 2px -1.77388 8 2px -1.28768
8 3d2- -2.25483 8 3d1+ -0.56248 9 2px 1.63420 9 2px 1.14226 9 3d2- 1.50031
9 3d1+ 1.89333 10 2px 1.40365 10 2px 3.03617 10 3d2- -0.90410 10 3d1+ 0.57956
11 1s 0.39225 11 1s -5.18111 11 2px 0.41428 11 2py 0.33102 11 2pz -1.21618
11 2px -0.84302 11 2py 0.28249 11 2pz -3.71650 11 3d2- -0.66144 11 3d1+ -0.50801
11 3d0 0.41694 11 3d2+ 0.68170 11 3d1- 2.07173
35.2 0.00000 0.53839 1 2px -0.31565 1 2px -12.45126 1 2px -1.11877 1 3d2- 5.48354 1 3d1+ -4.82639
1 4f3+ 0.53323 2 2px 8.82627 2 2px 1.39865 2 3d1+ 0.38307 2 3d2- -3.50280
2 3d1+ -4.06366 2 4f1+ 2.55793 2 4f3+ 1.40819 2 4f2- -1.76379 3 2px -17.32184
3 2px 0.39223 3 3d2- -8.10747 3 3d1+ -2.90306 3 4f1+ 2.23068 3 4f3+ 3.79183
3 4f2- -1.33876 4 2px -0.83913 4 2px -1.03673 4 3d2- -0.66945 4 3d1+ -1.41287
5 2px 0.47339 5 2px 0.32232 5 3d2- -0.92275 5 4f2- 0.25730 6 2px -0.96216
6 2px 24.89486 6 3d2- -0.33497 6 3d2--12.30357 6 3d1+ -2.45030 6 4f3+ 0.67430
6 4f2- 1.98738 7 2px 0.88707 7 2px 1.08257 7 3d2- -1.47747 7 3d1+ 2.00203
8 2px -0.59500 8 3d2- -0.98486 9 2px 0.66447 9 2px -1.52757 9 3d1+ -1.85699
10 2px 0.49083 10 2px 1.18012 10 3d2- 2.22045 10 3d1+ 1.10903 11 1s -0.55765
11 2px -2.29235 11 2py 1.21660 11 2pz 0.61356 11 2px -1.89893 11 2py -0.37261
11 2pz -0.67070 11 3d2- 2.45857 11 3d1+ 2.35852 11 3d0 1.41875 11 3d1- 1.39720
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2 4f3+ -1.01383 2 4f2- 0.49364 3 2px 6.71670 3 2px 4.47105 3 3d2- -0.39467
3 3d2- 1.01483 3 3d1+ 2.03952 3 4f3+ -0.26847 3 4f2- -1.44738 4 2px -2.76990
4 3d1+ 2.52504 5 2px -1.97945 5 2px -0.25210 5 3d2- 0.93564 5 3d1+ 1.36200
6 2px 0.36809 6 2px -2.30661 6 2px -8.62445 6 3d2- -0.98992 6 3d1+ -0.67721
6 3d2- 5.10983 6 3d1+ 2.57315 6 4f1+ -0.49578 6 4f3+ 0.86616 6 4f2- -1.32962
7 2px 0.27982 7 2px -2.10142 7 3d2- 0.86613 8 2px 1.17771 8 3d1+ 1.10075
9 2px -0.60419 9 2px 2.11180 9 3d2- 0.59811 9 3d1+ 1.23449 10 2px 0.89086
10 2px 3.62495 10 3d2- -1.61138 10 3d1+ 0.74428 11 1s 0.38142 11 1s -4.10062
11 1s -8.10650 11 2px -0.28065 11 2px -3.23667 11 2py 0.50333 11 2pz 1.64079
11 2px -5.28641 11 2py 1.10289 11 2pz 0.87280 11 3d2- -0.43400 11 3d1+ 1.64010
11 3d0 1.09515 11 3d2+ -0.87408 11 3d1- -1.38534
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1 4f1+ 0.36185 1 4f3+ 0.79469 1 4f2- -0.28164 2 2px 9.41172 2 2px 2.83473
2 3d1+ 0.45914 2 3d2- -3.82653 2 3d1+ 3.88198 2 4f1+ 1.63688 2 4f3+ 0.87058
3 2px -0.45058 3 2px -7.37302 3 2px -5.83795 3 3d2- 0.66287 3 3d2- 5.62885
3 3d1+ -3.59435 3 4f1+ 1.13642 3 4f3+ 1.71570 3 4f2- -4.15484 4 2px 3.07736
4 3d2- 0.69984 4 3d1+ -1.83077 4 4f1+ 0.28255 4 4f2- -0.32361 5 2px 1.07815
5 2px 0.97870 5 3d2- 0.39632 5 3d1+ -0.76052 6 2px -0.82658 6 2px 0.87074
6 2px 2.27063 6 3d1+ -0.70560 6 3d2- 5.36369 6 3d1+ 4.95875 6 4f1+ -1.35287
6 4f3+ 0.32366 6 4f2- -1.85198 7 2px 0.63035 7 2px 0.84041 7 3d2- -0.55488
7 3d1+ 2.18974 8 2px 0.32507 8 3d2- -0.97378 8 3d1+ 1.26899 9 2px 0.65421
9 3d2- 1.59257 10 2px -0.38784 10 2px -1.25640 10 3d2- -1.00458 10 3d1+ -0.84435
11 1s -3.02732 11 1s 7.47040 11 2px -0.89188 11 2py 1.05400 11 2px 1.68802
11 2py 1.76237 11 2pz 3.70900 11 3d2- -1.68851 11 3d1+ 0.95743 11 3d2+ 0.84874
11 3d1- -2.25240
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1 4f3+ -0.56396 1 4f2- 0.33500 2 2px -11.09302 2 2px -1.37052 2 3d1+ -0.30473
2 3d2- -1.86931 2 3d1+ -2.65730 2 4f1+ -0.77031 2 4f3+ -0.29582 3 2px 0.42666
3 2px 20.89113 3 2px 2.31627 3 3d2- -0.31517 3 3d1+ 0.45743 3 3d2- 2.51077
3 3d1+ 1.80236 3 4f1+ 1.51440 3 4f2- 1.25635 4 2px -4.61779 4 2px -3.97596
4 3d2- -0.27558 4 3d2- -2.62399 4 3d1+ -1.15390 4 4f3+ 0.35313 5 2px 2.82884
5 2px 2.34725 5 3d1+ -2.30530 5 4f1+ 0.28437 6 2px 0.38354 6 2px -9.19822
6 2px -1.57525 6 3d2- 10.58976 6 4f1+ -2.14989 6 4f3+ 0.87612 6 4f2- 0.74699
7 2px -0.37581 7 3d2- -0.26673 7 3d1+ -0.98235 8 2px -0.52035 8 3d2- 1.39250
8 3d1+ -1.19784 9 2px 1.87335 9 3d2- 1.05303 9 3d1+ 0.54802 10 2px 1.19633
10 2px 0.47947 10 3d2- -2.95304 10 3d1+ -1.28107 11 1s -0.52660 11 1s 8.16416
11 2py 0.75552 11 2pz -1.66355 11 2px 1.45417 11 2py 0.36414 11 2pz 1.49058
11 3d2- -1.41837 11 3d1+ 1.37625 11 3d0 -0.72097 11 3d2+ 0.35777
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1 4f3+ -1.02843 1 4f2- -0.41098 2 2px 11.31955 2 2px 2.61905 2 3d2- 9.03461
2 3d1+ 14.55059 2 4f1+ -3.05203 2 4f3+ -2.01700 2 4f2- 0.65085 3 2px -0.32319
3 2px -19.77985 3 2px -3.68912 3 3d2- 0.33356 3 3d1+ -0.66769 3 3d2- 4.91389
3 3d1+ 12.83865 3 4f1+ -2.73882 3 4f3+ -1.08815 3 4f2- 1.49191 4 2px 3.25398
4 2px 1.99891 4 3d2- 1.94776 4 3d1+ -2.19521 4 4f1+ 0.38276 4 4f2- -0.33066
5 2px -0.26992 5 3d1+ -0.48247 6 2px -3.67215 6 2px 1.91276 6 3d2- 0.52568
6 3d2- 3.91354 6 3d1+ -1.75660 6 4f1+ -1.56547 6 4f3+ -0.65994 6 4f2- 1.21200
7 2px -0.90621 7 3d2- 0.75864 7 3d1+ -1.11114 8 2px 0.67667 8 3d2- 1.48912
9 2px -1.66928 9 2px -0.64802 9 3d2- -1.32292 9 3d1+ -1.29494 10 2px 1.06414
10 2px 1.34424 10 3d2- -2.90463 10 3d1+ -1.17446 11 1s 0.48067 11 1s 3.72890
11 2py 1.28297 11 2pz -1.41495 11 2px -1.50865 11 2py 1.77433 11 2pz -0.96030
11 3d2- 2.16063 11 3d1+ 0.47056 11 3d0 -0.67510 11 3d2+ -0.58373 11 3d1- 0.85323
40.2 0.00000 0.59613 1 2px 1.23686 1 2px 1.42225 1 3d1+ 0.35821 1 3d2- 0.97823 1 3d1+ -1.65588
1 4f1+ -0.67839 1 4f3+ 0.37320 1 4f2- -1.10398 2 2px -6.24143 2 2px -2.85841
2 3d1+ 0.33156 2 3d2- -3.19998 2 3d1+ -0.55280 2 4f1+ 0.59277 2 4f3+ 0.55097
2 4f2- 0.31470 3 2px 12.00433 3 2px 2.13537 3 3d1+ 0.25209 3 3d2- 1.10050
3 3d1+ -4.16822 3 4f1+ 1.53507 3 4f3+ -0.63607 3 4f2- -1.78727 4 2px 0.77462
4 3d2- 0.46797 4 3d1+ 3.01035 4 4f2- 0.41955 5 2px -3.11646 5 2px -2.40150
5 3d2- 0.39644 5 3d1+ 2.46260 5 4f1+ -0.40697 6 2px 0.88987 6 2px -1.08558
6 2px -0.54074 6 3d2- 3.45104 6 3d1+ 4.26393 6 4f1+ -0.34497 6 4f2- -1.82497
7 2px -1.10407 7 3d2- 0.83342 7 3d1+ 2.47152 8 2px 0.80367 8 2px -0.58191
8 3d2- 0.34343 8 3d1+ -0.72894 9 2px 0.58754 9 2px 1.39796 9 3d2- 0.93539
10 2px -0.48663 10 2px 3.08423 10 3d2- -1.18716 10 3d1+ 0.28249 11 1s 0.29430
11 1s 7.41018 11 2px 0.32344 11 2py -0.57096 11 2pz -1.41894 11 2px -0.62637
11 2py 1.60063 11 2pz -5.27315 11 3d2- -0.59363 11 3d1+ -1.84797 11 3d0 1.60355
11 3d1- -0.70078
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1 4f3+ 2.69319 1 4f2- 3.27492 2 2px 32.76876 2 2px -1.86058 2 3d2- 0.38085
2 3d1+ 0.35335 2 3d2- 2.73787 2 3d1+ -2.17313 2 4f1+ 3.33697 2 4f3+ 1.45688
2 4f2- 3.95109 3 2px -38.25060 3 2px 0.64458 3 3d1+ 0.30658 3 3d2- -2.26365
3 3d1+ 8.61437 3 4f1+ -3.43870 3 4f3+ -0.45921 3 4f2- -1.78460 4 2px -0.59170
4 2px -2.09182 4 3d2- 1.41443 4 3d1+ 0.33277 4 4f1+ -0.41403 5 2px 0.55498
5 3d2- -1.06563 5 3d1+ -0.60394 6 2px -0.82738 6 2px 5.20368 6 2px 1.96978
6 3d1+ -0.68268 6 3d2--13.14276 6 3d1+ -5.59009 6 4f1+ 0.68808 6 4f3+ -2.13484
6 4f2- -1.40504 7 2px 1.68508 7 2px -4.32966 7 3d2- -1.37559 7 3d1+ -3.19296
8 2px -0.78690 8 2px 1.48405 8 3d2- -2.38034 8 3d1+ 0.89991 9 2px 1.26693
9 2px 2.10497 9 3d2- 0.39990 9 3d1+ 2.18007 10 2px -1.95008 10 3d2- 1.65206
10 3d1+ -1.45551 11 1s -1.90203 11 1s -25.72874 11 2px -0.28640 11 2pz 0.96319
11 2px -3.60512 11 2py 1.78485 11 2pz 0.53014 11 3d2- 2.75228 11 3d1+ -0.91663
11 3d0 0.54478 11 3d2+ 0.89459 11 3d1- -1.07050
42.2 0.00000 0.65727 1 2px -23.30636 1 3d2- 8.31629 1 3d1+ -7.54825 1 4f1+ 0.98694 1 4f3+ 0.93944
1 4f2- 2.29291 2 2px 21.69046 2 2px 1.41038 2 3d2- -0.30133 2 3d2- -0.29183
2 3d1+-12.24290 2 4f1+ 2.91729 2 4f3+ 0.32296 3 2px -23.42364 3 2px -0.86276
3 3d2- 0.36654 3 3d2--11.38406 3 3d1+ -5.09082 3 4f1+ 1.30839 3 4f3+ 3.97871
3 4f2- -1.53746 4 2px 2.36273 4 2px 0.54916 4 3d1+ -0.26427 4 4f1+ 0.37759
5 2px -1.00163 5 2px -0.85753 5 3d2- 0.46582 5 3d1+ 1.01874 6 2px -0.36641
6 2px 1.89252 6 2px 38.23505 6 2px -1.69805 6 3d2- 0.57363 6 3d1+ 0.77081
6 3d2- -9.75037 6 3d1+ 2.44136 6 4f1+ -1.43844 6 4f3+ 1.06999 6 4f2- 0.33232
7 2px 0.90502 7 2px -3.32856 7 3d2- -1.23305 7 3d1+ -1.25616 8 2px -0.74371
8 3d2- -1.10128 8 3d1+ 1.63830 9 2px -0.26651 9 2px -1.72569 9 3d1+ 1.84764
10 2px 4.71223 10 3d1+ -1.51816 11 1s 4.95242 11 1s 27.29477 11 2px 0.37888
11 2px 0.54673 11 2py 0.50751 11 2pz -2.34735 11 2px 5.22244 11 2py 3.37628
11 2pz -1.88782 11 3d2- 2.18392 11 3d1+ 1.48259 11 3d0 1.74295 11 3d2+ 3.33292
43.2 0.00000 0.66929 1 2px -7.22903 1 3d2- 2.33989 1 3d1+ -1.70756 1 4f3+ -0.43213 1 4f2- -1.01556
2 2px 0.27665 2 2px -21.63362 2 2px 1.49210 2 3d2- -0.25418 2 3d2- -1.93269
2 3d1+-18.49710 2 4f1+ 0.50164 2 4f3+ -0.70977 2 4f2- -1.15031 3 2px -22.40573
3 2px -3.86363 3 3d2- 0.45439 3 3d1+ -0.35743 3 3d2--31.03355 3 3d1+-11.33312
3 4f1+ 3.43524 3 4f3+ 4.12603 3 4f2- 4.85506 4 2px 4.58630 4 3d1+ -2.33156
4 4f1+ 0.77458 4 4f3+ 0.27129 4 4f2- -0.30840 5 2px -0.47279 5 2px 0.84633
5 3d2- 0.85641 6 2px -1.32871 6 2px 15.17501 6 2px 3.50977 6 3d1+ -0.68565
6 3d2--31.93234 6 3d1+-22.86773 6 4f1+ 1.70498 6 4f2- 4.99938 7 2px -0.53059
7 2px -0.69847 7 3d2- 1.81538 7 3d1+ 2.06341 8 2px 0.37049 8 2px -1.17183
8 3d2- 0.73625 8 3d1+ -1.23139 9 2px -1.21992 9 3d1+ 0.50243 10 2px 1.33208
10 2px -3.53581 10 3d2- 7.02305 10 3d1+ 5.40397 11 1s -1.52078 11 1s -63.22499
11 2px -0.94350 11 2py 1.81361 11 2pz 1.96575 11 2px -3.90291 11 2py 1.49736
11 2pz 1.39752 11 3d2- 2.17215 11 3d1+ 0.36188 11 3d0 2.02586 11 3d2+ 3.08625
11 3d1- 0.97777
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1 4f1+ 0.80597 2 2px -5.12595 2 2px -4.04893 2 3d1+ -0.45429 2 3d2- 4.53582
2 3d1+ -6.73365 2 4f1+ 0.53577 2 4f3+ -0.60133 2 4f2- 0.25774 3 2px -1.40596
3 2px 3.96134 3 3d2- -0.69925 3 3d1+ -0.42433 3 3d2- -9.21354 3 3d1+ -3.96854
3 4f1+ -1.77140 3 4f3+ -1.97477 3 4f2- 1.97223 4 2px 1.23350 4 2px -0.68612
4 3d2- 1.99182 4 3d1+ 1.77808 4 4f1+ -0.83354 5 2px -0.63879 5 3d1+ 0.63940
6 2px -3.31924 6 2px -0.33546 6 3d2- -0.89424 6 3d1+ -0.80398 6 3d2- -3.57311
6 3d1+ -7.53985 6 4f1+ -2.71276 6 4f2- -1.36153 7 2px -1.87275 7 3d1+ -1.47095
8 2px 0.46875 8 2px 1.73690 8 3d2- 0.69493 8 3d1+ 0.66138 9 2px 0.36668
9 2px 2.12687 9 3d2- -0.27291 9 3d1+ 0.32424 10 2px 1.00252 10 3d2- -2.26223
10 3d1+ -1.24461 11 1s -2.97019 11 1s -23.13554 11 2px -1.15833 11 2py -1.70147
11 2pz -2.10966 11 2px -3.30223 11 2py -2.29267 11 3d2- -1.78718 11 3d1+ 2.99783
11 3d0 1.35563 11 3d2+ 1.37094 11 3d1- 1.39866
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1 4f1+ 0.27445 1 4f2- -1.73597 2 2px -0.29215 2 2px -12.49759 2 2px -0.42009
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3 2px 8.48280 3 2px -1.30864 3 3d2- 10.44762 3 3d1+ -7.35680 3 4f1+ 1.54050
3 4f2- -0.97581 4 2px -2.64992 4 2px 1.55802 4 3d2- -2.03902 4 3d1+ -2.00246
4 4f1+ -0.47756 4 4f3+ 0.25035 5 2px 1.86323 5 2px -0.78076 5 3d2- -2.13496
5 3d1+ -1.14480 5 4f2- 0.45567 6 2px -0.44370 6 2px -16.29410 6 2px 2.32793
6 3d1+ -0.31528 6 3d2- -5.40682 6 3d1+ 1.98731 6 4f1+ -0.33291 6 4f3+ 1.64919
6 4f2- -1.31206 7 2px -0.85664 7 2px 0.72718 7 3d2- 2.07945 7 3d1+ 3.83586
8 2px 0.72875 8 2px 0.94182 8 3d2- 0.32156 8 3d1+ 0.80016 9 2px 1.13639
9 2px 0.61292 9 3d2- 0.83521 9 3d1+ -0.89269 10 2px 0.50320 10 2px -1.85938
10 3d2- 2.09709 10 3d1+ 1.76849 11 1s -1.31055 11 1s -13.91836 11 2px -1.08105
11 2py -0.61635 11 2pz 0.56278 11 2px -0.83828 11 2py 4.64906 11 3d2- 4.37162
11 3d1+ -0.46114 11 3d0 -0.62654 11 3d2+ 2.87093 11 3d1- 2.85954
46.2 0.00000 0.72747 1 2px 12.85090 1 3d2- 0.50715 1 3d1+ 0.31162 1 3d2- 0.80450 1 3d1+ 2.55531
1 4f1+ -1.32081 1 4f3+ -0.65970 1 4f2- 0.47108 2 2px -0.38996 2 2px 2.83853
2 3d1+ 0.30904 2 3d2- -2.66684 2 3d1+ 12.89710 2 4f1+ 1.38494 2 4f3+ 1.70250
2 4f2- 0.87469 3 2px -5.41739 3 2px 1.15113 3 3d2- 0.47422 3 3d1+ 0.72201
3 3d2- 7.82459 3 3d1+ 8.02637 3 4f1+ 2.60556 3 4f3+ 1.76809 4 2px -0.65600
4 2px -1.80234 4 3d2- -2.51322 4 3d1+ -0.64940 4 4f1+ 0.41818 5 2px 0.91990
5 3d2- 1.00445 6 2px 0.46813 6 2px 3.61094 6 2px -1.00793 6 3d2- 0.33512
6 3d1+ 0.92045 6 3d2- 4.02109 6 3d1+ -0.38759 6 4f3+ 0.42193 6 4f2- 2.72359
7 2px -2.29331 7 2px -1.29433 7 3d2- 1.95815 7 3d1+ 1.12662 8 2px 0.73909
8 2px 1.66790 8 3d2- 1.38250 8 3d1+ -0.39914 9 2px 1.26942 9 2px 0.33891
9 3d1+ -1.57534 10 2px 1.19957 10 2px -0.46990 10 3d2- 0.87164 10 3d1+ 2.97696
11 1s 2.43980 11 1s 20.61002 11 2px 0.83008 11 2py 0.91361 11 2pz -0.32448
11 2px 1.73114 11 2py -2.17655 11 2pz 2.24579 11 3d2- -0.79377 11 3d1+ 1.88030
11 3d0 -1.26466 11 3d2+ -1.54858 11 3d1- -0.88444
47.2 0.00000 0.73235 1 2px -30.07299 1 2px 0.61874 1 3d2- 0.25273 1 3d1+ -0.34640 1 3d2- 6.34594
1 3d1+-11.59770 1 4f1+ -1.20330 1 4f3+ 0.48240 2 2px -0.26539 2 2px 0.33476
2 2px 32.84505 2 2px -0.25205 2 3d2- 0.33532 2 3d2- 5.32469 2 3d1+ -9.85472
2 4f1+ 2.38299 2 4f3+ 0.51353 2 4f2- -1.32586 3 2px 9.70589 3 2px -0.32145
3 3d1+ 0.46340 3 3d2- 6.43864 3 3d1+ -5.31180 3 4f1+ -1.48521 3 4f3+ -0.97297
3 4f2- -6.16093 4 2px -3.54706 4 2px 1.46534 4 3d2- -1.10942 4 3d1+ 2.59228
5 2px -0.37450 5 3d2- 1.74654 5 3d1+ -0.50090 5 4f1+ 0.35080 6 2px -0.89909
6 2px 0.68115 6 2px 0.41315 6 3d1+ -0.82023 6 3d2- 9.90565 6 3d1+ 15.95892
6 4f1+ -2.04478 6 4f3+ -0.91875 6 4f2- -4.63032 7 2px 0.44034 7 2px -2.27703
7 3d2- -2.03588 8 2px 0.93856 8 2px -1.58675 8 3d2- -1.37092 9 2px 0.33036
9 2px 1.26617 9 3d1+ 0.35732 10 2px -0.90206 10 2px 3.14547 10 3d2- -3.75002
10 3d1+ -5.74849 11 1s -3.12896 11 1s 17.02631 11 2px -1.76625 11 2px -1.01099
11 2py 1.96795 11 2pz -1.80446 11 3d1+ -1.96557 11 3d0 1.30268 11 3d2+ -0.57358
11 3d1- -0.86133
48.2 0.00000 0.75467 1 2px 0.35995 1 2px 8.00875 1 2px -0.54515 1 3d1+ 0.82810 1 3d2- 2.44645
1 3d1+ 3.79596 1 4f1+ 1.61749 1 4f3+ 2.59839 1 4f2- 1.11958 2 2px -3.09854
2 2px 1.83735 2 3d2- -0.47987 2 3d1+ 0.68167 2 3d2- -7.39175 2 3d1+ 8.15825
2 4f1+ 1.73189 2 4f3+ 2.30994 2 4f2- 1.64591 3 2px -11.30835 3 2px -0.61829
3 3d1+ 0.26437 3 3d2- -1.83934 3 3d1+ -4.83330 3 4f1+ 1.68237 3 4f3+ -0.69448
3 4f2- -4.54599 4 2px -3.51755 4 2px -0.42364 4 3d1+ 0.62772 4 4f1+ 0.26534
5 2px 0.80798 5 3d1+ -0.76665 6 2px 4.71659 6 2px -0.41204 6 3d1+ -0.26637
6 3d2- -4.09211 6 3d1+ 3.49661 6 4f1+ -3.44548 6 4f3+ -0.79164 6 4f2- -1.03537
7 2px 1.10485 7 2px -0.90450 7 3d2- -0.26101 7 3d1+ -1.40626 8 2px 1.45994
8 3d2- -1.11675 8 3d1+ 0.88339 9 2px 0.47809 9 2px -3.96616 9 3d2- -0.95185
9 3d1+ -1.72071 10 2px 0.69974 10 3d2- -1.50722 10 3d1+ -4.02107 11 1s -1.40645
11 1s -7.81741 11 2px -0.75843 11 2py 0.30596 11 2pz -1.60437 11 2px 0.44800
11 2py -1.63309 11 2pz 0.77178 11 3d2- -1.03541 11 3d1+ -1.04326 11 3d2+ 1.51744
11 3d1- 1.04671
49.2 0.00000 0.77481 1 2px 0.33134 1 2px 24.92405 1 2px -0.62289 1 3d2- -0.41225 1 3d1+ 0.67198
1 3d2- -4.30540 1 3d1+ 12.75246 1 4f1+ 1.53704 1 4f3+ -0.39143 1 4f2- -1.03094
2 2px -0.37115 2 2px -32.26610 2 2px 0.44114 2 3d2- -0.40361 2 3d1+ 0.61594
2 3d2- -8.94348 2 3d1+ 6.75680 2 4f1+ -1.50706 2 4f3+ 1.28519 2 4f2- 0.58935
3 2px 39.04442 3 2px 0.84629 3 3d2- 12.26749 3 4f1+ 0.36220 3 4f3+ -1.10245
4 2px 0.86661 4 3d2- -1.98692 4 3d1+ 3.34685 4 4f1+ 0.85482 4 4f3+ 0.48813
4 4f2- 0.46479 5 2px -2.43678 5 3d2- 2.98675 5 3d1+ 1.25026 5 4f2- -0.46727
6 2px 1.62701 6 2px 7.73573 6 2px -3.09745 6 3d2- 0.57786 6 3d1+ 1.64435
6 3d2- 22.41564 6 3d1+ 15.73635 6 4f3+ 0.96903 6 4f2- -2.51969 7 2px -0.47234
7 2px 2.48705 7 3d2- -0.75200 7 3d1+ -0.67484 8 2px 1.74231 8 3d2- 0.31449
8 3d1+ -0.63375 9 2px 1.01292 9 2px -2.03712 10 2px -0.38230 10 2px 1.87058
10 3d2- -3.04508 10 3d1+ -0.89291 11 1s 5.87737 11 1s 69.12261 11 2px 0.43875
11 2px 1.78886 11 2py -1.98226 11 2pz -1.02129 11 2px 6.48685 11 2py -0.47485
11 2pz 1.52912 11 3d2- -1.17624 11 3d1+ 2.07179 11 3d0 -0.45753 11 3d2+ -2.88494
11 3d1- -3.63449
50.2 0.00000 0.78389 1 2px 0.31205 1 2px -15.56780 1 2px 0.25685 1 3d2- 0.27950 1 3d1+ -0.30204
1 3d2- 6.11452 1 3d1+ -8.51444 2 2px 0.31846 2 2px 4.21090 2 2px 1.39187
2 3d2- -0.39052 2 3d1+ -0.47287 2 3d2- -4.89592 2 3d1+-15.54017 2 4f1+ 1.05167
2 4f3+ 1.71792 2 4f2- -1.70592 3 2px 6.90153 3 2px -0.25595 3 3d2- -0.42443
3 3d1+ -0.26070 3 3d2- -9.48093 3 3d1+ -7.74826 3 4f1+ 2.76347 3 4f3+ 3.77913
3 4f2- -1.06091 4 2px 0.53036 4 3d2- -0.29713 4 3d1+ 0.33208 4 4f1+ 0.35711
4 4f2- 0.30163 5 2px -0.70836 5 3d2- 0.29422 5 3d1+ 0.42619 6 2px -1.19569
6 2px 6.86778 6 3d2- -1.10569 6 3d1+ -1.27089 6 3d2- -3.03555 6 3d1+ -3.18237
6 4f1+ -1.84876 6 4f3+ -0.78165 6 4f2- 0.43048 7 2px -0.56452 7 2px -2.67799
7 3d2- 0.70480 7 3d1+ 1.93159 8 2px -0.48096 8 2px -1.41858 8 3d2- -0.83384
8 3d1+ 0.27697 9 2px -0.66882 9 2px -3.83502 9 3d2- -1.47217 9 3d1+ 1.70801
10 2px 0.35163 10 2px 1.07599 10 3d2- -1.37595 10 3d1+ 0.66156 11 1s -4.78235
11 1s -9.52808 11 2px -0.34209 11 2px -1.55453 11 2py 1.38434 11 2px -0.91440
11 2py -1.44572 11 2pz 1.30704 11 3d2- -1.32301 11 3d1+ 1.67608 11 3d0 -0.68029
11 3d2+ -0.38457
51.2 0.00000 0.80054 1 2px -0.28237 1 2px 3.75163 1 2px -0.38467 1 3d1+ -0.42598 1 3d2- 2.26550
1 3d1+ 4.15065 1 4f1+ 0.95640 1 4f3+ 1.06942 1 4f2- 1.50676 2 2px -0.47578
2 2px -6.69129 2 2px 1.65772 2 3d1+ -0.78748 2 3d2- -6.54937 2 3d1+ -3.57520
2 4f1+ 0.27712 2 4f3+ 0.58755 2 4f2- -0.66793 3 2px -0.30215 3 2px 25.13713
3 2px -3.35057 3 3d2- 0.62463 3 3d2- 7.84527 3 3d1+ 6.75120 3 4f2- 0.38922
3 4f1+ 1.03667 3 4f3+ 0.37285 3 4f2- 3.87063 4 2px 2.60459 4 2px 2.64890
4 3d2- -0.25454 5 2px -0.29446 5 2px -1.17320 5 3d2- 1.57662 5 3d1+ 0.90102
5 4f2- -0.36613 6 2px -1.42628 6 2px -21.87239 6 2px 4.43039 6 3d2- 1.16688
6 3d1+ -1.62373 6 3d2- 13.99732 6 3d1+-11.75152 6 4f1+ -0.63517 6 4f3+ 1.82895
6 4f2- 3.92658 7 2px -0.27481 7 3d1+ -1.53758 8 2px -0.62859 8 3d1+ -0.44471
9 2px -0.30155 9 2px -1.46511 10 2px -0.55273 10 2px -7.10101 10 3d2- 0.62788
10 3d1+ -0.49963 11 1s -4.46200 11 1s -14.95267 11 2px -0.25759 11 2py 0.28760
11 2px -1.35415 11 2py 3.39834 11 2pz -0.39000 11 2px -3.28194 11 2py 2.04123
11 2pz 1.90723 11 3d2- -0.81537 11 3d1+ 2.20389 11 3d0 -0.59683 11 3d2+ -1.17521
11 3d1- -0.68967
52.2 0.00000 0.82224 1 2px -0.26387 1 2px 34.55323 1 2px -2.50601 1 3d2- -0.36558 1 3d1+ 0.59123
1 3d2--15.36870 1 3d1+ 10.76508 1 4f1+ -2.15613 1 4f3+ -2.56471 1 4f2- -1.47666
2 2px -0.31275 2 2px -17.41837 2 2px 3.42682 2 3d2- -0.30086 2 3d1+ 0.43027
2 3d2- -0.77697 2 3d1+ 32.99205 2 4f1+ -3.40907 3 2px 13.56134 3 2px -2.74327
3 3d1+ 0.45385 3 3d2- 21.86570 3 3d1+ 11.44755 3 4f1+ 2.68633 3 4f3+ 0.30850
4 2px -0.42521 4 3d2- -3.55388 4 4f1+ 0.84030 4 4f3+ 0.39305 5 2px -0.65955
5 2px 0.52796 5 3d2- 1.90481 5 3d1+ 0.60398 5 4f2- -0.45582 6 2px -0.86610
6 2px -12.98847 6 2px 2.29686 6 3d1+ -1.91851 6 3d2- 26.89470 6 3d1+ 2.91661
6 4f1+ -2.18753 6 4f3+ -1.26793 6 4f2- -0.98435 7 2px -0.86631 7 2px 5.72321
7 3d2- -2.69896 7 3d1+ -2.59754 8 2px -0.54897 8 2px 1.11983 8 3d2- 1.60975
8 3d1+ -0.53031 9 2px -0.96147 9 3d2- -0.33689 9 3d1+ -2.78981 10 2px -2.06506
10 2px -3.61921 10 3d2- -5.28253 10 3d1+ -4.91920 11 1s -5.26174 11 1s 23.33864
11 2px -0.31415 11 2px -1.45223 11 2py 2.42271 11 2pz -1.09471 11 2px -1.50642
11 2py 0.26086 11 2pz 1.10613 11 3d2- -2.13510 11 3d1+ 2.32335 11 3d0 -0.46782
11 3d2+ -3.43238 11 3d1- -2.08338
53.2 0.00000 0.82697 1 2px -16.51651 1 2px 3.26038 1 3d1+ -0.62922 1 3d1+-11.27306 1 4f1+ -3.19690
1 4f3+ 1.31844 1 4f2- -1.05605 2 2px 11.71167 2 2px -2.06895 2 3d2- -0.28580
2 3d1+ -0.74076 2 3d2- 6.53174 2 3d1+ -7.05032 2 4f1+ 0.54844 2 4f3+ -2.58974
2 4f2- -2.02746 3 2px -12.40517 3 2px 0.29222 3 3d1+ -0.44114 3 3d2--12.15864
3 3d1+ -8.30994 3 4f1+ 2.82217 3 4f3+ 1.62614 4 2px -0.38285 4 2px 0.47785
4 3d2- 0.39006 4 3d1+ -2.81360 4 4f1+ -0.38687 4 4f2- -0.29687 5 2px 1.64247
5 3d2- -1.44647 5 4f2- 0.26389 6 2px 1.13978 6 2px 22.60663 6 2px -2.33924
6 3d1+ 0.96212 6 3d2- -6.69144 6 3d1+ 0.92568 6 4f2- 0.27136 6 4f1+ -2.26189
6 4f3+ 0.97151 7 2px 0.39513 7 2px -3.53965 7 3d2- 1.27801 8 2px -5.17361
8 3d2- -0.81521 8 3d1+ -1.67162 9 2px -1.28384 9 2px 2.18088 9 3d2- 0.56908
9 3d1+ -1.64721 10 2px 0.69000 10 2px 2.60792 10 3d2- -1.05782 10 3d1+ -0.84897
11 1s 4.00968 11 1s 11.32488 11 2px 0.27806 11 2px 0.58453 11 2pz -1.42527
11 2px 5.15117 11 2py 0.94563 11 2pz 1.61028 11 3d1+ 2.08192 11 3d0 -0.37893
11 3d2+ 3.14020 11 3d1- 0.52932
54.2 0.00000 0.85144 1 2px -0.52013 1 2px 3.22881 1 2px 0.34808 1 3d2- 0.26201 1 3d2- 2.37740
1 4f1+ 0.31011 1 4f3+ 1.01103 1 4f2- 2.13208 2 2px -0.28469 2 2px 9.54634
2 2px -0.62291 2 3d2- -5.98030 2 3d1+ 7.20774 2 4f1+ 2.52757 2 4f3+ 1.36535
2 4f2- -1.31022 3 2px -0.42097 3 2px -24.18045 3 2px 0.91047 3 3d2- -0.65074
3 3d1+ -0.31981 3 3d2- 7.94919 3 3d1+ 3.25773 3 4f1+ 2.42435 3 4f3+ 3.05321
3 4f2- 0.65677 4 2px 0.83858 4 2px 0.45975 4 3d2- -4.13771 4 3d1+ -3.05498
4 4f3+ 0.86489 5 2px 0.85961 5 2px -0.36174 5 3d2- -0.27274 6 2px -0.72258
6 2px -4.08884 6 2px 0.56154 6 3d2- -1.50075 6 3d1+ -0.95940 6 3d2--17.28163
6 3d1+ -9.37207 6 4f2- -0.28597 6 4f1+ 3.01892 6 4f3+ -2.49230 6 4f2- -1.95809
7 2px -2.38296 7 3d2- 1.72509 7 3d1+ -0.69338 8 2px -1.21913 8 2px 0.76843
8 3d2- 0.27693 8 3d1+ 0.38545 9 2px 0.39450 9 2px -0.55154 9 3d2- 0.94007
9 3d1+ -1.84596 10 2px -1.06506 10 2px 3.28023 10 3d2- 2.21055 10 3d1+ 4.92998
11 1s -4.27800 11 1s -24.99873 11 2px -0.29966 11 2px -0.40426 11 2py -2.72358
11 2pz 2.18849 11 2px -4.50204 11 2py 0.54885 11 2pz -2.05958 11 3d2- 3.65091
11 3d0 1.40605 11 3d1- -1.20576

HOMO 4.2 -0.348040 = -9.4706eV
LUMO 20.1 0.022592 = 0.6148eV
LUMO-HOMO 0.370632 = 10.0854eV

**********************************************************************************************************************************
DATASETS * FILE NREC LENGTH (MB) RECORD NAMES
1 18 44.51 500 610 700 900 950 970 1000 129 960 1100
VAR BASINP GEOM SYMINP ZMAT AOBASIS BASIS P2S ABASIS S
1400 1410 1200 1210 1080 1600 1650 1700
T V H0 H01 AOSYM SMH MOLCAS OPER

2 4 6.24 700 1000 520 2100
GEOM BASIS MCVARS RHF

PROGRAMS * TOTAL HF-SCF INT
CPU TIMES * 729.78 93.62 636.03
REAL TIME * 1612.09 SEC
DISK USED * 62.50 MB (local), 99.20 GB (total)
SF USED * 0.65 MB
GA USED * 0.00 MB (max) 0.00 MB (current)
**********************************************************************************************************************************

PROGRAM * MULTI (Direct Multiconfiguration SCF) Authors: P.J. Knowles, H.-J. Werner (1984)

Number of frozen core orbitals: 17 ( 17 0 )
Number of active orbitals: 10 ( 6 4 )
Number of external orbitals: 519 ( 327 192 )

State symmetry 1

Number of electrons: 12 Spin symmetry=Singlet Space symmetry=1
Number of states: 4
Number of CSFs: 6980 (22052 determinants, 44100 intermediate states)

State symmetry 2

Number of electrons: 12 Spin symmetry=Singlet Space symmetry=2
Number of states: 3
Number of CSFs: 6880 (22048 determinants, 44100 intermediate states)

Iteration controls:
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40
DIAGCI T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T
WERNER T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T
INTERNAL F T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T

Valence orbitals read from record 2100.2 Type=RHF/CANONICAL (state 1.1)
Frozen core orbitals read from record 2100.2 Type=RHF/CANONICAL (state 1.1)

Wavefunction dump at record 2140.2

Convergence thresholds 0.10E-01 (gradient) 0.10E-05 (energy) 0.10E-02 (step length)

Weight factors for state symmetry 1: 0.14286 0.14286 0.14286 0.14286
Weight factors for state symmetry 2: 0.14286 0.14286 0.14286

Number of orbital rotations: 2730 ( 0 Core/Active 0 Core/Virtual 0 Active/Active 2730 Active/Virtual)
Total number of variables: 157082

Micro-Iterations solved by the two-step solver

ITER. MIC NCI NEG ENERGY(VAR) ENERGY(PROJ) ENERGY CHANGE GRAD(0) GRAD(ORB) GRAD(CI) STEP TIME

1 150 155 0 -304.36585306 -304.50691328 -0.14106022 0.33472832 0.00356799 0.00470987 0.14D+01 41.80
2 84 113 0 -304.38819183 -304.45968713 -0.07149530 0.19531911 0.00126669 0.00747643 0.97D+00 71.94
3 23 37 0 -304.44304576 -304.45999590 -0.01695014 0.19628906 0.00152772 0.00716798 0.26D+00 97.18
4 44 37 0 -304.46100967 -304.46148443 -0.00047476 0.01240190 0.00016246 0.00250579 0.16D+00 123.15
5 147 63 0 -304.46150127 -304.46150602 -0.00000475 0.00148461 0.00001088 0.00034294 0.43D-01 152.31
6 215 75 0 -304.46150605 -304.46150609 -0.00000005 0.00001664 0.00000075 0.00002369 0.59D-02 183.17
7 40 19 0 -304.46150609 -304.46150609 -0.00000000 0.00000067 0.00000045 0.00001411 0.17D-03 208.02

** WVFN **** CONVERGENCE REACHED, FINAL GRADIENT: 0.38D-06

Results for state 1.1
=====================

!MCSCF STATE 1.1 Energy -304.589731034698
Nuclear energy 226.06059664
Kinetic energy 305.24569636
One electron energy -864.72040950
Two electron energy 334.07008183
Virial ratio 1.99785103

!MCSCF STATE 1.1 Dipole moment 0.00000000 1.04157844 -4.38366494
Dipole moment /Debye 0.00000000 2.64725493 -11.14143515

Results for state 2.1
=====================

!MCSCF STATE 2.1 Energy -304.441749147550
Nuclear energy 226.06059664
Kinetic energy 303.77515819
One electron energy -857.91103617
Two electron energy 327.40869039
Virial ratio 2.00219436

!MCSCF STATE 2.1 Dipole moment 0.00000000 -1.49749343 -0.35654157
Dipole moment /Debye 0.00000000 -3.80599936 -0.90617893

Results for state 3.1
=====================

!MCSCF STATE 3.1 Energy -304.421405546196
Nuclear energy 226.06059664
Kinetic energy 303.70942149
One electron energy -856.78571350
Two electron energy 326.30371132
Virial ratio 2.00234429

!MCSCF STATE 3.1 Dipole moment 0.00000000 1.50077785 0.74690755
Dipole moment /Debye 0.00000000 3.81434697 1.89832530

Results for state 4.1
=====================

!MCSCF STATE 4.1 Energy -304.419372951079
Nuclear energy 226.06059664
Kinetic energy 303.71444502
One electron energy -856.77866092
Two electron energy 326.29869133
Virial ratio 2.00232102

!MCSCF STATE 4.1 Dipole moment 0.00000000 -0.91834731 2.04283591
Dipole moment /Debye 0.00000000 -2.33405315 5.19203088

Results for state 1.2
=====================

!MCSCF STATE 1.2 Energy -304.467285826020
Nuclear energy 226.06059664
Kinetic energy 303.73403079
One electron energy -857.91788747
Two electron energy 327.39000501
Virial ratio 2.00241414

!MCSCF STATE 1.2 Dipole moment 0.00000000 -1.25026369 -0.34924040
Dipole moment /Debye 0.00000000 -3.17764520 -0.88762242

Results for state 2.2
=====================

!MCSCF STATE 2.2 Energy -304.446313788075
Nuclear energy 226.06059664
Kinetic energy 303.67512033
One electron energy -856.71919068
Two electron energy 326.21228026
Virial ratio 2.00253953

!MCSCF STATE 2.2 Dipole moment 0.00000000 0.99951060 0.65878419
Dipole moment /Debye 0.00000000 2.54033615 1.67435273

Results for state 3.2
=====================

!MCSCF STATE 3.2 Energy -304.444684368852
Nuclear energy 226.06059664
Kinetic energy 303.67452836
One electron energy -856.84756606
Two electron energy 326.34228506
Virial ratio 2.00253612

!MCSCF STATE 3.2 Dipole moment 0.00000000 -0.66733743 1.72483292
Dipole moment /Debye 0.00000000 -1.69609147 4.38380085

State-averaged charge density matrix saved on record 2140.2 (density set 1)

!MCSCF trans <1.2|DMX|1.1> -0.157938951989 au = -0.401414481596 Debye
!MCSCF trans <1.2|DMX|2.1> -0.010006801402 au = -0.025433086308 Debye
!MCSCF trans <1.2|DMX|3.1> 0.002818202726 au = 0.007162687684 Debye
!MCSCF trans <1.2|DMX|4.1> 0.000038985707 au = 0.000099085292 Debye
!MCSCF trans <2.2|DMX|1.1> -0.017502770523 au = -0.044484691505 Debye
!MCSCF trans <2.2|DMX|2.1> 0.001680472520 au = 0.004271055347 Debye
!MCSCF trans <2.2|DMX|3.1> -0.014145770640 au = -0.035952607743 Debye
!MCSCF trans <2.2|DMX|4.1> -0.002810499409 au = -0.007143109089 Debye
!MCSCF trans <3.2|DMX|1.1> -0.051326726558 au = -0.130450981685 Debye
!MCSCF trans <3.2|DMX|2.1> 0.002159345972 au = 0.005488150534 Debye
!MCSCF trans <3.2|DMX|3.1> 0.003902689865 au = 0.009918998507 Debye
!MCSCF trans <3.2|DMX|4.1> -0.015540037695 au = -0.039496249006 Debye

!MCSCF expec <1.1|DMY|1.1> 1.041578441277 au = 2.647254934780 Debye
!MCSCF trans <2.1|DMY|1.1> -0.184428284896 au = -0.468739240325 Debye
!MCSCF expec <2.1|DMY|2.1> -1.497493431713 au = -3.805999356174 Debye
!MCSCF trans <3.1|DMY|1.1> -0.180403497120 au = -0.458509920211 Debye
!MCSCF trans <3.1|DMY|2.1> -3.557216227988 au = -9.040949620730 Debye
!MCSCF expec <3.1|DMY|3.1> 1.500777852686 au = 3.814346974831 Debye
!MCSCF trans <4.1|DMY|1.1> -0.087298962592 au = -0.221877297343 Debye
!MCSCF trans <4.1|DMY|2.1> 1.867270620782 au = 4.745817664368 Debye
!MCSCF trans <4.1|DMY|3.1> -0.524149593483 au = -1.332168123804 Debye
!MCSCF expec <4.1|DMY|4.1> -0.918347308836 au = -2.334053153191 Debye
!MCSCF expec <1.2|DMY|1.2> -1.250263693912 au = -3.177645199173 Debye
!MCSCF trans <2.2|DMY|1.2> -3.211233346852 au = -8.161606449693 Debye
!MCSCF expec <2.2|DMY|2.2> 0.999510599476 au = 2.540336149416 Debye
!MCSCF trans <3.2|DMY|1.2> 2.557345495310 au = 6.499698163969 Debye
!MCSCF trans <3.2|DMY|2.2> -0.830649315403 au = -2.111161687042 Debye
!MCSCF expec <3.2|DMY|3.2> -0.667337432901 au = -1.696091472713 Debye

!MCSCF expec <1.1|DMZ|1.1> -4.383664944386 au = -11.141435149352 Debye
!MCSCF trans <2.1|DMZ|1.1> 0.167671168483 au = 0.426149688392 Debye
!MCSCF expec <2.1|DMZ|2.1> -0.356541572032 au = -0.906178928645 Debye
!MCSCF trans <3.1|DMZ|1.1> -0.121081391703 au = -0.307738043524 Debye
!MCSCF trans <3.1|DMZ|2.1> -2.085162679860 au = -5.299607763878 Debye
!MCSCF expec <3.1|DMZ|3.1> 0.746907552429 au = 1.898325297102 Debye
!MCSCF trans <4.1|DMZ|1.1> -0.015048355207 au = -0.038246598628 Debye
!MCSCF trans <4.1|DMZ|2.1> -3.634865882226 au = -9.238302428948 Debye
!MCSCF trans <4.1|DMZ|3.1> 0.491173389054 au = 1.248356462152 Debye
!MCSCF expec <4.1|DMZ|4.1> 2.042835906391 au = 5.192030882966 Debye
!MCSCF expec <1.2|DMZ|1.2> -0.349240402334 au = -0.887622421764 Debye
!MCSCF trans <2.2|DMZ|1.2> -2.722143901063 au = -6.918546496063 Debye
!MCSCF expec <2.2|DMZ|2.2> 0.658784194121 au = 1.674352732095 Debye
!MCSCF trans <3.2|DMZ|1.2> -3.124155656481 au = -7.940291533399 Debye
!MCSCF trans <3.2|DMZ|2.2> 0.631597166635 au = 1.605254726777 Debye
!MCSCF expec <3.2|DMZ|3.2> 1.724832918980 au = 4.383800850221 Debye

!MCSCF expec <1.1|XX|1.1> -26.285109671055
!MCSCF trans <2.1|XX|1.1> -0.520644918026
!MCSCF expec <2.1|XX|2.1> -43.387274540308
!MCSCF trans <3.1|XX|1.1> -0.020942437010
!MCSCF trans <3.1|XX|2.1> 0.965705535463
!MCSCF expec <3.1|XX|3.1> -41.494707597670
!MCSCF trans <4.1|XX|1.1> -0.133272953835
!MCSCF trans <4.1|XX|2.1> -1.969452065446
!MCSCF trans <4.1|XX|3.1> -0.578416077843
!MCSCF expec <4.1|XX|4.1> -41.847538999283
!MCSCF expec <1.2|XX|1.2> -42.746059852102
!MCSCF trans <2.2|XX|1.2> 0.500656197096
!MCSCF expec <2.2|XX|2.2> -40.966235715983
!MCSCF trans <3.2|XX|1.2> -2.089755189218
!MCSCF trans <3.2|XX|2.2> -0.677744163965
!MCSCF expec <3.2|XX|3.2> -40.847403448396

!MCSCF expec <1.1|YY|1.1> -23.242285908487
!MCSCF trans <2.1|YY|1.1> -0.577951293131
!MCSCF expec <2.1|YY|2.1> -43.511523042990
!MCSCF trans <3.1|YY|1.1> -0.180262779533
!MCSCF trans <3.1|YY|2.1> -7.550281088691
!MCSCF expec <3.1|YY|3.1> -61.112102610228
!MCSCF trans <4.1|YY|1.1> 0.064819890839
!MCSCF trans <4.1|YY|2.1> 5.939084864590
!MCSCF trans <4.1|YY|3.1> 10.125165531861
!MCSCF expec <4.1|YY|4.1> -45.719130263689
!MCSCF expec <1.2|YY|1.2> -43.891262254465
!MCSCF trans <2.2|YY|1.2> -5.696176882919
!MCSCF expec <2.2|YY|2.2> -57.942020554847
!MCSCF trans <3.2|YY|1.2> 6.799503787208
!MCSCF trans <3.2|YY|2.2> 12.567949377848
!MCSCF expec <3.2|YY|3.2> -51.156481757976

!MCSCF expec <1.1|ZZ|1.1> -29.001244443523
!MCSCF trans <2.1|ZZ|1.1> 0.249147290476
!MCSCF expec <2.1|ZZ|2.1> -32.118507292271
!MCSCF trans <3.1|ZZ|1.1> -0.249599702290
!MCSCF trans <3.1|ZZ|2.1> 2.946705972400
!MCSCF expec <3.1|ZZ|3.1> -42.414644969264
!MCSCF trans <4.1|ZZ|1.1> 0.719841824426
!MCSCF trans <4.1|ZZ|2.1> 9.556288919486
!MCSCF trans <4.1|ZZ|3.1> -18.333773426639
!MCSCF expec <4.1|ZZ|4.1> -62.536265090164
!MCSCF expec <1.2|ZZ|1.2> -32.280045928593
!MCSCF trans <2.2|ZZ|1.2> 5.273393993394
!MCSCF expec <2.2|ZZ|2.2> -49.787867892645
!MCSCF trans <3.2|ZZ|1.2> 9.323178519758
!MCSCF trans <3.2|ZZ|2.2> -20.452666267059
!MCSCF expec <3.2|ZZ|3.2> -54.965785502896

!MCSCF trans <1.2|XY|1.1> -0.165931781486
!MCSCF trans <1.2|XY|2.1> 0.340299003058
!MCSCF trans <1.2|XY|3.1> -0.010607392755
!MCSCF trans <1.2|XY|4.1> 0.003038837040
!MCSCF trans <2.2|XY|1.1> -0.169053723073
!MCSCF trans <2.2|XY|2.1> 0.015746404397
!MCSCF trans <2.2|XY|3.1> 0.328333842035
!MCSCF trans <2.2|XY|4.1> 0.065064809799
!MCSCF trans <3.2|XY|1.1> -0.008450229326
!MCSCF trans <3.2|XY|2.1> -0.001339850365
!MCSCF trans <3.2|XY|3.1> -0.064715719279
!MCSCF trans <3.2|XY|4.1> 0.328056643546

!MCSCF trans <1.2|XZ|1.1> -0.266352101249
!MCSCF trans <1.2|XZ|2.1> -0.128239881170
!MCSCF trans <1.2|XZ|3.1> 0.009598550915
!MCSCF trans <1.2|XZ|4.1> -0.003531287028
!MCSCF trans <2.2|XZ|1.1> -0.673730161006
!MCSCF trans <2.2|XZ|2.1> 0.014886422582
!MCSCF trans <2.2|XZ|3.1> -0.131431560980
!MCSCF trans <2.2|XZ|4.1> -0.028603967756
!MCSCF trans <3.2|XZ|1.1> -0.694715701084
!MCSCF trans <3.2|XZ|2.1> 0.022157722838
!MCSCF trans <3.2|XZ|3.1> 0.032730964035
!MCSCF trans <3.2|XZ|4.1> -0.140895286629

!MCSCF expec <1.1|YZ|1.1> 2.745414110977
!MCSCF trans <2.1|YZ|1.1> -0.741397655382
!MCSCF expec <2.1|YZ|2.1> 1.544725015060
!MCSCF trans <3.1|YZ|1.1> -0.256878460088
!MCSCF trans <3.1|YZ|2.1> -0.135184018117
!MCSCF expec <3.1|YZ|3.1> -15.619448520265
!MCSCF trans <4.1|YZ|1.1> -0.966222394394
!MCSCF trans <4.1|YZ|2.1> -8.466190648953
!MCSCF trans <4.1|YZ|3.1> -8.211918569877
!MCSCF expec <4.1|YZ|4.1> 15.397769888318
!MCSCF expec <1.2|YZ|1.2> 1.798420309138
!MCSCF trans <2.2|YZ|1.2> -1.196313144912
!MCSCF expec <2.2|YZ|2.2> -17.291048536873
!MCSCF trans <3.2|YZ|1.2> -8.108396937134
!MCSCF trans <3.2|YZ|2.2> -1.951071165907
!MCSCF expec <3.2|YZ|3.2> 17.881560821730

!MCSCF expec <1.1|QMXX|1.1> -0.163344495050
!MCSCF trans <2.1|QMXX|1.1> -0.356242916699
!MCSCF expec <2.1|QMXX|2.1> -5.572259372677
!MCSCF trans <3.1|QMXX|1.1> 0.193988803901
!MCSCF trans <3.1|QMXX|2.1> 3.267493093607
!MCSCF expec <3.1|QMXX|3.1> 10.268666192075
!MCSCF trans <4.1|QMXX|1.1> -0.525603811467
!MCSCF trans <4.1|QMXX|2.1> -9.717138957484
!MCSCF trans <4.1|QMXX|3.1> 3.525887869546
!MCSCF expec <4.1|QMXX|4.1> 12.280158677644
!MCSCF expec <1.2|QMXX|1.2> -4.660405760572
!MCSCF trans <2.2|QMXX|1.2> 0.712047641857
!MCSCF expec <2.2|QMXX|2.2> 12.898708507762
!MCSCF trans <3.2|QMXX|1.2> -10.151096342701
!MCSCF trans <3.2|QMXX|2.2> 3.264614280641
!MCSCF expec <3.2|QMXX|3.2> 12.213730182041

!MCSCF expec <1.1|QMYY|1.1> 4.400891148802
!MCSCF trans <2.1|QMYY|1.1> -0.442202479356
!MCSCF expec <2.1|QMYY|2.1> -5.758632126701
!MCSCF trans <3.1|QMYY|1.1> -0.044991709883
!MCSCF trans <3.1|QMYY|2.1> -9.506486842621
!MCSCF expec <3.1|QMYY|3.1> -19.157426326759
!MCSCF trans <4.1|QMYY|1.1> -0.228464544457
!MCSCF trans <4.1|QMYY|2.1> 2.145666437568
!MCSCF trans <4.1|QMYY|3.1> 19.581260284103
!MCSCF expec <4.1|QMYY|4.1> 6.472771781033
!MCSCF expec <1.2|QMYY|1.2> -6.378209364118
!MCSCF trans <2.2|QMYY|1.2> -8.583201978162
!MCSCF expec <2.2|QMYY|2.2> -12.564968750531
!MCSCF trans <3.2|QMYY|1.2> 3.182792121936
!MCSCF trans <3.2|QMYY|2.2> 23.133154593360
!MCSCF expec <3.2|QMYY|3.2> -3.249887282331

!MCSCF expec <1.1|QMZZ|1.1> -4.237546653752
!MCSCF trans <2.1|QMZZ|1.1> 0.798445396055
!MCSCF expec <2.1|QMZZ|2.1> 11.330891499378
!MCSCF trans <3.1|QMZZ|1.1> -0.148997094019
!MCSCF trans <3.1|QMZZ|2.1> 6.238993749014
!MCSCF expec <3.1|QMZZ|3.1> 8.888760134685
!MCSCF trans <4.1|QMZZ|1.1> 0.754068355923
!MCSCF trans <4.1|QMZZ|2.1> 7.571472519915
!MCSCF trans <4.1|QMZZ|3.1> -23.107148153649
!MCSCF expec <4.1|QMZZ|4.1> -18.752930458680
!MCSCF expec <1.2|QMZZ|1.2> 11.038615124690
!MCSCF trans <2.2|QMZZ|1.2> 7.871154336305
!MCSCF expec <2.2|QMZZ|2.2> -0.333739757230
!MCSCF trans <3.2|QMZZ|1.2> 6.968304220763
!MCSCF trans <3.2|QMZZ|2.2> -26.397768874003
!MCSCF expec <3.2|QMZZ|3.2> -8.963842899713

!MCSCF trans <1.2|QMXY|1.1> -0.248897672228
!MCSCF trans <1.2|QMXY|2.1> 0.510448504587
!MCSCF trans <1.2|QMXY|3.1> -0.015911089133
!MCSCF trans <1.2|QMXY|4.1> 0.004558255561
!MCSCF trans <2.2|QMXY|1.1> -0.253580584610
!MCSCF trans <2.2|QMXY|2.1> 0.023619606596
!MCSCF trans <2.2|QMXY|3.1> 0.492500763053
!MCSCF trans <2.2|QMXY|4.1> 0.097597214699
!MCSCF trans <3.2|QMXY|1.1> -0.012675343989
!MCSCF trans <3.2|QMXY|2.1> -0.002009775548
!MCSCF trans <3.2|QMXY|3.1> -0.097073578919
!MCSCF trans <3.2|QMXY|4.1> 0.492084965319

!MCSCF trans <1.2|QMXZ|1.1> -0.399528151874
!MCSCF trans <1.2|QMXZ|2.1> -0.192359821755
!MCSCF trans <1.2|QMXZ|3.1> 0.014397826373
!MCSCF trans <1.2|QMXZ|4.1> -0.005296930542
!MCSCF trans <2.2|QMXZ|1.1> -1.010595241509
!MCSCF trans <2.2|QMXZ|2.1> 0.022329633874
!MCSCF trans <2.2|QMXZ|3.1> -0.197147341470
!MCSCF trans <2.2|QMXZ|4.1> -0.042905951634
!MCSCF trans <3.2|QMXZ|1.1> -1.042073551626
!MCSCF trans <3.2|QMXZ|2.1> 0.033236584257
!MCSCF trans <3.2|QMXZ|3.1> 0.049096446052
!MCSCF trans <3.2|QMXZ|4.1> -0.211342929943

!MCSCF expec <1.1|QMYZ|1.1> 4.118121166465
!MCSCF trans <2.1|QMYZ|1.1> -1.112096483073
!MCSCF expec <2.1|QMYZ|2.1> 2.317087522591
!MCSCF trans <3.1|QMYZ|1.1> -0.385317690132
!MCSCF trans <3.1|QMYZ|2.1> -0.202776027177
!MCSCF expec <3.1|QMYZ|3.1> -23.429172780396
!MCSCF trans <4.1|QMYZ|1.1> -1.449333591590
!MCSCF trans <4.1|QMYZ|2.1> -12.699285973430
!MCSCF trans <4.1|QMYZ|3.1> -12.317877854814
!MCSCF expec <4.1|QMYZ|4.1> 23.096654832476
!MCSCF expec <1.2|QMYZ|1.2> 2.697630463708
!MCSCF trans <2.2|QMYZ|1.2> -1.794469717369
!MCSCF expec <2.2|QMYZ|2.2> -25.936572805309
!MCSCF trans <3.2|QMYZ|1.2> -12.162595405702
!MCSCF trans <3.2|QMYZ|2.2> -2.926606748860
!MCSCF expec <3.2|QMYZ|3.2> 26.822341232594

!MCSCF expec <1.1|QMRR|1.1> -78.528640023065
!MCSCF trans <2.1|QMRR|1.1> -0.849448920681
!MCSCF expec <2.1|QMRR|2.1> -119.017304875566
!MCSCF trans <3.1|QMRR|1.1> -0.450804918833
!MCSCF trans <3.1|QMRR|2.1> -3.637869580829
!MCSCF expec <3.1|QMRR|3.1> -145.021455177158
!MCSCF trans <4.1|QMRR|1.1> 0.651388761430
!MCSCF trans <4.1|QMRR|2.1> 13.525921718633
!MCSCF trans <4.1|QMRR|3.1> -8.787023972622
!MCSCF expec <4.1|QMRR|4.1> -150.102934353136
!MCSCF expec <1.2|QMRR|1.2> -118.917368035157
!MCSCF trans <2.2|QMRR|1.2> 0.077873307571
!MCSCF expec <2.2|QMRR|2.2> -148.696124163473
!MCSCF trans <3.2|QMRR|1.2> 14.032927117750
!MCSCF trans <3.2|QMRR|2.2> -8.562461053177
!MCSCF expec <3.2|QMRR|3.2> -146.969670709266

NATURAL ORBITALS (state averaged)
=================================

Orbital Occupation Energy Coefficients
18.1 1.99967 -0.63228 1 1s 0.39948 2 2py 0.30075 2 2pz 0.33241 3 2py -0.40209 3 2pz -0.29104
3 2py 0.26538 4 2py 0.37650 5 2pz -0.36509 6 1s -0.26473 6 2py 0.36621
8 1s 0.26419 9 1s -0.31206
19.1 1.56019 -0.51090 2 1s 0.33212 4 2py -0.29298 5 2py 0.91369 5 2pz -0.34779
20.1 0.28583 0.02386 1 1s -7.05610 1 1s 10.01752 1 2py 2.15656 1 2pz -2.55667 1 2py -0.72349
1 2pz 1.14312 1 3d0 1.61584 1 3d1- 2.62489 2 1s 5.24531 2 1s -11.16299
2 2pz -3.64651 2 2py -2.08098 2 2pz 1.78251 2 3d0 4.75471 2 3d2+ 3.43737
2 3d1- -1.05435 2 4f1- 0.38977 2 4f0 0.26335 3 1s -2.03558 3 2py 3.63189
3 2pz -2.12610 3 2py -1.08556 3 2pz -0.77552 3 3d0 1.01092 3 3d2+ 0.60020
3 3d1- -3.24910 3 4f1- 0.49733 3 4f3- 0.29871 4 1s 0.28606 4 1s -2.51609
4 2py 0.36273 4 3d1- -0.30221 5 1s -0.35208 5 1s -0.93548 5 2py -0.25107
6 1s 0.34326 6 1s 3.28873 6 1s 6.71971 6 2py 2.64820 6 2pz 0.84028
6 2py -1.60110 6 2pz 0.63337 6 3d0 0.30145 6 3d1- -1.85644 7 1s -0.30103
7 1s 1.83982 7 2py 0.33003 7 2pz 0.46656 8 1s -6.57262 9 1s 10.23952
9 2py 0.88857 10 1s -0.33109 10 1s -6.53694 10 2py 0.37184 10 3d1- -0.30452
11 1s -0.28921 11 1s -0.69233 11 2px -0.26583 11 2pz -0.39298
21.1 0.28579 0.00714 1 1s -4.68229 1 2py 2.82803 1 2pz 0.55679 1 2py 1.33798 1 2pz -0.43469
1 3d0 2.77248 1 3d2+ 0.90272 1 3d1- 1.19370 2 1s -4.01070 2 1s 2.84944
2 2py -4.95700 2 2pz -0.56277 2 2py -1.49859 2 2pz -0.50748 2 3d0 7.62407
2 3d2+ 3.27479 2 4f1- 0.35547 3 1s -8.28746 3 1s 10.37002 3 2pz -3.96852
3 2py 2.03971 3 2pz 0.92301 3 3d0 4.35451 3 3d2+ 1.88850 3 3d1- -2.16232
3 4f1- 0.29736 3 4f3- 0.32706 4 1s -5.10870 4 2py 0.48845 4 2pz 0.35802
4 2py -0.48495 4 2pz 1.45624 4 3d1- -0.41435 5 1s -0.33644 5 1s -1.17836
5 2py 0.36168 6 1s 6.49975 6 1s -7.86577 6 2py -3.33220 6 2pz -0.64000
6 2py 1.63951 6 3d0 -0.51216 6 3d2+ -0.51072 6 3d1- 0.36034 7 1s 2.02905
7 2py -0.31954 7 2pz 0.63983 7 3d1- -0.29021 8 1s -4.63394 8 2py -0.36703
9 1s 8.48487 9 2py 0.72028 10 1s 2.51468 11 1s 1.79524 11 2px -0.43208
22.1 0.28567 0.01976 1 1s -3.65753 1 1s 5.31467 1 2py 1.40610 1 2pz -4.02692 1 2py -0.27854
1 2pz 1.82714 1 3d0 0.42191 1 3d2+ -0.40392 1 3d1- 1.52406 2 1s -1.29797
2 1s 6.39109 2 2py -2.03161 2 2pz -7.25837 2 2py 1.20904 2 2pz 2.21861
2 3d2+ -0.31205 2 3d1- -1.84680 3 1s 2.12107 3 1s -11.34721 3 2py -5.47080
3 2pz -4.33307 3 2py 1.48542 3 2pz 2.80169 3 3d0 1.01596 3 3d2+ 1.04672
3 3d1- 1.72873 4 1s 2.54485 4 2pz -1.61057 5 1s 0.58926 5 2py -0.37250
6 1s 3.24670 6 1s -1.38732 6 2py -3.66450 6 2pz -1.74708 6 2py 0.67617
6 2pz 1.68601 6 3d0 -0.39090 6 3d2+ -0.93959 6 3d1- 0.40899 7 1s -2.40403
7 2py -0.43311 7 2pz -0.86537 8 1s -0.26879 8 1s -5.04477 8 2py -0.28303
8 2pz -0.69350 9 1s -2.59963 9 2py -0.30901 9 2pz -0.48096 10 1s 1.52762
10 2pz -1.15009 11 1s 0.39805 11 1s 3.89426 11 2py -0.61811 11 2pz -1.14619
23.1 0.01163 0.75681 1 1s 2.03082 1 2py -0.26281 1 2pz 0.52132 2 1s 1.86334 2 1s -0.26279
2 2py -0.62696 2 2pz 2.31207 3 1s -0.26661 3 2py 2.91463 3 2pz 1.74704
3 2py -0.28639 3 3d1- -1.17254 4 1s -0.54182 4 3d1- 0.30328 5 2py -1.08488
5 2py 0.34148 5 2py 0.88822 5 2pz -0.40882 6 1s -2.23658 6 1s 0.55781
6 2py 0.68519 7 1s -0.33365 8 1s 0.51485 10 1s -0.71962 11 1s 0.37026
24.1 -0.00000 0.05364 1 1s -8.00622 1 1s 3.52933 1 2py 7.38456 1 2pz -2.82576 1 2py 1.51329
1 2pz 3.00134 1 3d0 3.67972 1 3d2+ 1.28797 1 3d1- 5.06733 1 4f1- 0.43954
1 4f0 0.51065 1 4f2+ 0.39497 2 1s 3.15453 2 1s 0.35112 2 2py -3.76215
2 2pz -9.13342 2 2py 0.59932 2 3d0 5.78533 2 3d2+ 3.33542 2 3d1- 0.92001
2 4f2+ -0.25340 3 1s -11.68748 3 2py -1.18187 3 2pz -1.63748 3 2py -3.32792
3 2pz 2.42023 3 3d0 0.79690 3 3d2+ 0.47709 3 3d1- 1.23207 3 4f0 0.42037
3 4f2+ 0.31141 4 1s 0.28156 4 1s 1.74957 4 2pz -0.49892 4 2py 0.65793
4 2pz -1.33682 4 3d0 -0.28019 5 1s 0.41010 5 1s 1.63675 5 2pz -0.27530
5 2pz -0.33565 6 1s 2.58187 6 1s 5.92579 6 2pz 0.33283 6 2py -0.81552
6 2pz 1.64240 6 2py -0.55922 6 2pz -4.02449 6 3d0 -0.29823 6 3d2+ 1.50171
6 3d1- 1.95329 7 1s 2.65274 7 2py -1.21210 7 2pz -1.41144 7 3d0 -0.30356
7 3d1- -0.48346 8 1s -10.49947 8 2py -0.81250 8 2pz -1.22374 9 1s 8.03454
9 2py 0.44244 9 2pz -1.02872 10 1s 0.41666 10 1s 8.36113 10 2pz 1.93564
11 1s -0.50353 11 1s -6.02251 11 2pz 0.33147 11 2pz 2.16368 11 2px -0.85301
25.1 -0.00000 0.05524 1 1s -15.95789 1 1s 14.72509 1 2py 5.33813 1 2pz -7.96286 1 2py -1.06762
1 2pz 3.01170 1 3d0 -1.69560 1 3d2+ -1.54106 1 3d1- 0.71652 1 4f0 -0.25117
2 1s -0.27648 2 1s 4.74949 2 1s -29.16409 2 2py 0.35452 2 2py 8.26308
2 2pz -13.38032 2 2py -6.64470 2 2pz 1.33760 2 3d0 2.81818 2 3d2+ 2.61545
2 3d1- -1.44112 2 4f1- 0.94890 2 4f0 -0.61951 3 1s -5.71931 3 1s 34.67842
3 2py -11.43326 3 2pz -5.40579 3 2py 5.32905 3 2pz -3.31868 3 3d0 1.62559
3 3d1- -2.43536 3 4f1- 0.61185 3 4f3- 0.63005 3 4f2+ 0.60114 4 1s -7.74960
4 2py -1.04967 4 2pz 2.67843 5 1s 0.25711 5 2py 0.60036 6 1s 7.76786
6 1s -20.63835 6 2py -0.28834 6 2py -9.05304 6 2pz 2.03157 6 2py 4.47852
6 2pz -0.81735 6 3d0 -1.88792 6 3d2+ -1.33056 6 3d1- 1.09196 7 1s -7.72353
7 2pz -0.57505 8 1s -0.28387 8 1s -2.83185 8 2py 0.44750 8 2pz -0.42635
9 1s 0.59960 9 1s 12.69295 9 2py 0.34127 9 2py 1.32605 9 2pz 0.32065
9 3d2+ 0.28709 10 1s 0.77934 10 1s 9.54150 10 2pz 0.26895 10 2py -1.10496
11 1s 0.47728 11 1s 3.93471 11 2px 0.33403 11 2pz 0.81216
26.1 -0.00000 0.07076 1 1s -0.46371 1 1s -10.22019 1 1s -1.11267 1 2py 1.80483 1 2pz 0.31295
1 2py 5.23592 1 2pz -0.92546 1 3d0 2.94586 1 3d2+ 1.50891 1 3d1- 1.61581
1 4f0 0.38213 1 4f2+ 0.26944 2 1s -0.29104 2 1s -2.89852 2 1s 3.85483
2 2py -4.60788 2 2pz -5.67585 2 2py -3.86222 2 3d0 5.28650 2 3d2+ 3.28051
2 4f1- 0.60462 2 4f0 -0.47200 3 1s -0.36971 3 1s -5.63793 3 1s -10.99922
3 2py -1.96971 3 2pz -6.57250 3 2py -3.31095 3 2pz 1.04865 3 3d0 1.94354
3 3d2+ 1.31007 3 3d1- -4.83566 3 4f1- 0.29584 3 4f0 -0.58210 3 4f3- 0.42209
4 1s 0.49412 4 1s -1.42771 4 2py 1.15474 4 2pz -0.27087 4 2py 0.55316
4 3d0 0.54042 4 3d2+ -0.31180 5 1s -0.49804 5 1s -1.58944 5 2pz 0.25486
5 2py -0.32267 5 2pz 0.40083 6 1s 5.46553 6 1s 9.36126 6 2py -2.35722
6 2py 0.65551 6 2pz 1.15317 6 3d2+ -1.80160 6 3d1- -2.39556 7 1s 0.66497
7 1s 7.65745 7 2py -0.31788 7 2pz 0.31792 7 2py -1.52842 7 2pz 1.39855
8 1s -4.90564 8 2py -1.28828 8 2pz -0.32117 9 1s 0.29878 9 1s 8.37354
9 2py 0.26204 9 2py 1.76108 9 2pz -0.76857 10 1s -5.23612 10 2py -0.90321
10 2pz -0.70375 11 1s 0.38710 11 1s 5.78218 11 2py -0.30230 11 2py -1.73309
11 2pz -1.01338 11 2px 0.66452 11 3d1- 0.30509
27.1 -0.00000 0.08820 1 1s 15.50184 1 1s -4.98065 1 2py 2.06916 1 2pz 7.05912 1 2py 8.32783
1 2pz 6.34623 1 3d1- 0.38276 1 3d0 3.10246 1 3d2+ 2.50148 1 3d1- 3.76156
2 1s 6.05233 2 1s -10.82467 2 2pz -0.33583 2 2py -4.18084 2 2pz 18.25567
2 2py -9.58310 2 2pz -14.12925 2 3d0 0.27189 2 3d0 5.51338 2 3d2+ 3.45555
2 3d1- 9.12012 2 4f1- -0.53138 2 4f0 -0.69731 2 4f2+ -1.05051 3 1s -10.09131
3 1s 26.81954 3 2py 18.93306 3 2pz 13.82729 3 2py 5.59257 3 2pz 2.34284
3 3d0 0.36781 3 3d2+ -1.93129 3 3d1- -1.06657 3 4f0 -0.55303 3 4f3- -0.60995
3 4f2+ -0.47560 4 1s 0.52013 4 1s -3.53731 4 2pz -0.42184 4 2py -1.85746
4 2pz -1.89210 4 3d0 0.58738 5 1s -0.88630 5 1s 0.29942 5 2pz 0.34271
5 2py -0.38764 6 1s -16.03490 6 1s -9.55020 6 2py 11.09813 6 2pz -2.77823
6 2py -3.74653 6 2pz 2.79092 6 3d0 1.49319 6 3d2+ 2.04738 6 3d1- -0.91501
6 4f1- 0.29181 6 4f0 0.30171 6 4f3- -0.38152 7 1s 0.50122 7 1s 12.15992
7 2py -2.34563 8 1s -0.57683 8 1s -6.77955 8 2pz -0.46053 8 2py -0.73659
8 2pz -2.62763 8 3d0 -0.31901 9 1s 0.55820 9 1s 10.66103 9 2py 0.38596
9 2pz -0.48996 9 2py 2.27227 9 2pz 1.90922 9 3d0 -0.30434 10 1s -0.53032
10 1s -10.11549 10 2py 3.15349 10 3d0 0.27725 10 3d1- -0.48550 11 1s 0.55231
11 1s -0.83508 11 2py 0.25600 11 2pz -0.26066 11 2py 1.92558 11 2pz -1.52936
11 2px 0.69149 11 3d1+ -0.31298
28.1 -0.00000 0.09442 1 1s 8.43143 1 1s 5.18566 1 2py -2.22408 1 2py -4.95750 1 2pz -1.38439
1 3d0 -1.00017 1 3d1- -1.85271 1 4f1- -0.32657 2 1s -1.55242 2 1s 17.37737
2 2py -6.24394 2 2pz 6.65914 2 2py -1.89152 2 2pz 5.68805 2 3d0 -2.14737
2 3d2+ -1.78575 2 3d1- -1.47139 2 4f1- -0.90549 2 4f0 0.40492 2 4f3- -0.26124
3 1s 3.67773 3 1s -8.51680 3 2py 4.85891 3 2pz -1.44013 3 2py 13.15922
3 2pz 13.98579 3 3d0 2.30236 3 3d2+ 2.07875 3 3d1- -3.37251 3 4f1- -0.38806
3 4f0 -0.66089 3 4f3- -0.42854 3 4f2+ -0.52215 4 1s -0.51293 4 2py 0.38611
4 2py -0.92121 4 2pz -2.15002 4 3d0 0.62884 5 1s -1.06893 5 1s -1.17289
5 2pz 0.50752 5 2py -0.25400 5 2pz 0.54004 6 1s -0.32193 6 1s -1.64757
6 1s -12.60401 6 2py -0.84570 6 2pz 3.44497 6 2pz -10.31312 6 3d0 -0.71789
6 3d2+ 1.24965 6 3d1- -1.68669 7 1s -0.32740 7 1s -5.19301 7 2py 2.16721
8 1s 2.39821 8 2py 1.05055 8 2pz 0.38829 9 1s -7.23435 9 2pz 0.72362
9 3d2+ -0.27081 10 1s 0.79547 10 1s 5.34239 10 2py -0.26168 10 2pz 0.39051
10 2py -1.75771 10 2pz 2.09124 10 3d0 0.30348 11 1s -0.60623 11 1s -1.79717
11 2pz 0.35349 11 2py 1.71016 11 2pz 2.70094 11 2px 1.26440
29.1 -0.00000 0.09893 1 1s 0.71960 1 1s 30.87336 1 2pz 0.25792 1 2py 0.68865 1 2pz 5.79276
1 2py 0.94342 1 2pz -5.05332 1 3d0 6.94904 1 3d2+ 2.34218 1 3d1- 2.63467
1 4f1- -0.26957 1 4f0 0.58265 1 4f2+ 0.45982 2 1s -2.85270 2 1s -0.41793
2 2py -11.78940 2 2pz 14.92768 2 2py -16.85383 2 2pz 21.72403 2 3d0 15.23259
2 3d2+ 6.41100 2 3d1- -0.51558 2 4f1- -0.34326 2 4f0 1.40698 2 4f2+ 0.30217
3 1s 0.31395 3 1s -2.15289 3 1s 19.76882 3 2pz 0.30789 3 2py 27.50901
3 2pz 1.41199 3 2py 31.87215 3 2pz -0.45544 3 3d0 4.92442 3 3d2+ 3.31088
3 3d1- -5.46501 3 4f3- -0.58132 3 4f2+ -0.54441 4 1s -0.81968 4 1s -13.05481
4 2py -0.64455 4 2pz -0.55522 4 2py -3.24871 4 2pz 3.18804 4 3d0 -1.07513
5 1s 1.07068 5 1s 4.01963 5 2py -0.60047 5 2pz -0.64875 5 2pz -1.89751
6 1s -0.36977 6 1s -12.01807 6 1s -46.50723 6 2py 7.63455 6 2pz 1.19345
6 2py -2.64209 6 2pz -0.40399 6 3d0 1.35502 6 3d2+ 2.94685 6 3d1- -1.31920
7 1s 10.49420 7 2pz 0.26890 7 2py 1.15707 7 2pz 4.30063 7 3d0 0.39096
7 3d2+ 0.30609 8 1s 0.33360 8 1s -10.32523 8 2py 0.37153 8 2pz 0.50330
8 2py -1.07188 8 2pz 1.86617 8 3d0 0.35606 8 3d1- 0.35569 9 1s 0.27848
9 1s 18.85645 9 2py 3.66302 9 3d0 -0.25452 10 1s -3.07365 10 2py 3.13976
10 2pz 3.52865 11 1s 0.42007 11 1s 1.07275 11 2px 0.28221 11 2py 3.79724
11 2px 0.89695 11 3d2- 0.45194
30.1 -0.00000 0.12576 1 1s -0.54101 1 1s 17.99754 1 1s -30.00745 1 2py -0.40460 1 2pz 0.95259
1 2py -5.79329 1 2pz 17.65813 1 2py 3.89635 1 2pz -3.58653 1 3d0 0.38713
1 3d1- -0.29615 1 3d0 0.36072 1 3d2+ 1.63697 1 3d1- -6.82686 1 4f1- -0.26723
1 4f0 -0.81707 1 4f2+ -0.35077 2 1s -0.60048 2 1s -21.21019 2 1s 12.49258
2 2py -0.37330 2 2pz 0.75837 2 2py -5.22257 2 2pz 26.30408 2 2py -1.48986
2 2pz -12.29091 2 3d1- 0.28711 2 3d0 2.70506 2 3d2+ -1.02082 2 3d1- 6.30213
2 4f0 -0.53175 2 4f2+ -0.27004 3 1s -0.37842 3 1s -23.37612 3 1s 39.90800
3 2py 2.77882 3 2pz 7.04179 3 2pz 2.44304 3 3d0 4.73403 3 3d2+ 0.29733
3 3d1- -0.90399 3 4f1- -0.54562 3 4f0 -1.35840 3 4f2+ -1.03326 4 1s -0.59388
4 1s -5.70863 4 2py 0.95919 4 2pz 0.71232 4 2pz 3.95556 4 3d0 0.35268
4 3d2+ -0.31529 5 1s -1.06596 5 1s -5.61229 5 2py 0.41296 5 2pz 0.75225
5 2py 1.40060 5 2pz 1.46342 6 1s -0.65599 6 1s -0.27370 6 1s -18.51183
6 2pz 0.54795 6 2py -3.85920 6 2py 3.61566 6 2pz -4.15688 6 3d0 -0.82088
6 3d1- 2.71525 7 1s 1.07425 7 1s 7.27761 7 2py -0.62902 7 2py -1.23420
7 2pz 2.96846 7 3d1- -0.26152 8 1s 0.79514 8 1s 18.20923 8 2pz 0.52341
8 2py 1.21817 8 2pz 1.98790 8 3d0 -0.40535 9 1s -2.34974 9 2py 0.41163
9 2pz 2.55675 10 1s 0.95344 10 1s 11.50869 10 2py -0.48290 10 2pz 0.55315
10 2py -1.25600 10 2pz 2.38282 11 1s -0.75495 11 1s -1.95665 11 2py 0.35178
11 2pz 0.26292 11 2py 1.00538 11 2pz 2.17255 11 2px -1.50056 11 3d1- -0.33515
11 3d1+ 0.32691
31.1 -0.00000 0.13003 1 1s 0.39037 1 1s -12.46723 1 1s -0.58534 1 2py -0.34425 1 2pz -0.26959
1 2py 5.71552 1 2pz -7.71952 1 2py 3.45831 1 2pz 3.13346 1 3d0 4.59216
1 3d2+ 0.96605 1 3d1- 3.84046 1 4f0 0.69100 1 4f2+ 0.79661 2 1s 0.48416
2 1s -17.23858 2 1s 36.18417 2 2py -0.80229 2 2py -15.86892 2 2pz -20.00124
2 2py 2.18962 2 2pz -1.20422 2 3d0 6.79794 2 3d2+ 0.73775 2 3d1- -3.77477
2 4f1- 0.42035 2 4f0 0.26942 3 1s -8.08548 3 1s -7.86464 3 2py -0.33701
3 2py -23.12789 3 2pz -17.73631 3 2py 7.16546 3 2pz 11.95511 3 3d0 9.55118
3 3d2+ 5.54526 3 3d1- 4.82835 3 4f3- 0.45296 3 4f2+ -0.32704 4 1s -0.46129
4 1s -3.64950 4 2py 0.31743 4 2py -1.88624 4 2pz -3.97197 4 3d0 -1.03251
4 3d1- -0.38759 5 1s 0.53373 5 1s 4.90236 5 2py -0.46470 5 2pz -0.36124
5 2py -0.59650 5 2pz -1.64581 5 3d2+ -0.29439 6 1s -1.12823 6 1s 18.16425
6 1s -27.24610 6 2py -0.69898 6 2pz -0.33318 6 2py -20.88288 6 2pz -6.48683
6 2py 4.58250 6 2pz 0.76408 6 3d2+ -0.32360 6 3d0 -2.71122 6 3d2+ -3.46773
6 3d1- 4.57244 6 4f0 -0.40350 7 1s -1.32963 7 2pz 0.57221 7 2py -2.56708
7 2pz -1.70310 7 3d0 -0.72619 7 3d1- -0.94254 8 1s -0.99186 8 1s -16.68840
8 2pz -0.54268 8 2py -2.09799 8 2pz -2.68826 9 1s -1.39148 9 1s -6.80102
9 2py -0.60971 9 2py -1.43887 9 2pz -0.91757 10 1s 0.46132 10 1s 19.27949
10 2pz 0.50368 10 2py -1.68141 10 2pz -1.48796 10 3d2+ 0.25352 10 3d1- 0.75941
11 1s 1.11952 11 1s 14.33482 11 2pz -0.44885 11 2px 0.79305 11 2py -1.10406
11 2pz -2.07943 11 3d0 0.68190 11 3d1+ 0.59401
32.1 -0.00000 0.13988 1 1s 2.76905 1 1s 21.33947 1 2py -3.71436 1 2pz -2.07523 1 2py -4.69173
1 2pz -3.62367 1 3d0 -0.62287 1 3d2+ -1.83902 1 3d1- 0.81146 1 4f1- 0.44170
1 4f0 0.31009 1 4f2+ -0.27142 2 1s -6.94759 2 1s 4.72871 2 2py -0.25969
2 2py 0.80972 2 2pz -5.35362 2 2py 1.31737 2 2pz 21.00362 2 3d0 -7.67270
2 3d2+ -4.27101 2 3d1- -3.58920 2 4f1- -0.36558 2 4f0 0.79013 2 4f2+ -0.37876
3 1s 0.38247 3 1s 12.43166 3 1s -32.93099 3 2py -0.37712 3 2py -3.73309
3 2pz -1.21385 3 2py 4.80180 3 2pz -7.00169 3 3d0 0.40554 3 3d2+ 0.31078
3 3d0 -3.61425 3 3d1- 9.60194 3 4f1- -0.96280 3 4f0 0.38340 3 4f3- -0.62412
3 4f2+ -0.25013 4 1s 1.39611 4 1s 29.59628 4 2py -0.74957 4 2pz 1.16860
4 2py 4.05200 4 2pz 4.95840 4 3d0 0.37677 4 3d2+ 0.41487 4 3d1- 1.05198
5 1s -1.26930 5 1s -12.14627 5 2py 0.29087 5 2pz 1.00076 5 2py 1.81477
5 2pz 4.18142 6 1s -4.08102 6 1s 1.23464 6 2py -0.32725 6 2pz -3.49241
6 2pz -3.72570 6 3d1- 1.40136 6 4f1- -0.33171 7 1s -0.81953 7 2py -0.36498
7 2pz 0.70893 8 1s -2.18235 8 2py -0.90344 8 2pz 1.06631 8 3d0 0.28725
9 1s -14.09767 9 2py -2.08617 9 2pz -0.64748 10 1s 0.42319 10 1s 2.75758
10 2py -0.39102 10 2pz 2.53986 10 3d0 -0.32684 10 3d1- -0.37341 11 1s -0.70980
11 2pz 0.33016 11 2py -0.80472 11 2pz 2.47030 11 2px -0.40877
33.1 -0.00000 0.14406 1 1s 18.63794 1 1s -28.93551 1 2py -0.54398 1 2pz 0.31760 1 2py -3.98472
1 2pz 10.44276 1 2py 4.66440 1 2pz 1.72053 1 3d0 0.41387 1 3d2+ 1.09026
1 3d1- -2.34770 1 4f0 -0.31245 2 1s 1.36155 2 1s 14.97925 2 2py -0.77473
2 2py -10.50985 2 2pz 21.71687 2 2py 8.65847 2 2pz -17.13215 2 3d0 1.41547
2 3d2+ 2.24917 2 3d1- 2.93535 2 4f1- -0.53171 3 1s -4.73527 3 1s -22.53684
3 2py 18.27366 3 2pz -1.62038 3 2py -14.56903 3 2pz 5.07526 3 3d0 -1.90647
3 3d1- -8.37998 3 4f1- -0.88688 3 4f0 -1.00595 3 4f3- -0.28117 4 1s -0.52072
4 1s -7.85621 4 2pz -1.70334 4 2py -2.37140 4 2pz -5.25710 4 3d0 0.32867
4 3d1- 0.28164 5 1s 1.05800 5 1s 8.18556 5 2py -0.56524 5 2pz -1.02698
5 2py -1.53458 5 2pz -2.12390 5 3d1- 0.25112 6 1s 0.48034 6 1s -5.25767
6 1s 32.74379 6 2pz 0.39129 6 2py 3.84929 6 2pz 8.63941 6 2py -3.48975
6 2pz -0.66630 6 3d1- 0.31864 6 3d0 1.49111 6 3d1- -5.13189 6 4f0 -0.30064
6 4f3- 0.82311 6 4f2+ -0.59981 7 1s 0.92674 7 1s 6.73722 7 2py -0.48764
7 2py -3.47082 7 2pz -0.98682 7 3d1- -0.27320 8 1s 6.29812 8 2py -1.33259
8 2pz -0.66301 8 3d0 -0.25350 9 1s -1.19283 9 1s -4.47438 9 2py -0.77827
9 2py -3.38492 10 1s 0.44103 10 1s -4.11071 10 2py 0.31092 10 2pz 0.29903
10 2py -1.66229 10 2pz -1.63568 10 3d0 0.53168 10 3d2+ -0.46420 10 3d1- 0.34475
11 1s -1.34556 11 1s -4.96169 11 2pz 0.52379 11 2px -0.75602 11 2py 1.01935
11 2pz 0.76058 11 2px -1.15248 11 3d0 -0.35923 11 3d2- 0.44116
34.1 -0.00000 0.14802 1 1s 33.43365 1 1s -37.51378 1 2py -13.32711 1 2pz 11.42100 1 2py -0.40899
1 2pz -4.84917 1 3d0 -6.05273 1 3d2+ 1.15765 1 3d1- -8.02966 1 4f0 -0.37531
1 4f3- -0.53065 2 1s 0.50634 2 1s -3.99528 2 1s 39.85207 2 2py 3.04246
2 2pz 17.46860 2 2py 9.75278 2 2pz -2.92370 2 3d0 -25.68100 2 3d2+-16.14236
2 3d1- 4.50551 2 4f1- -2.12899 2 4f0 -0.48188 2 4f3- -0.59963 2 4f2+ -0.50869
3 1s 0.67241 3 1s 24.11190 3 1s -19.47358 3 2py -0.43233 3 2py 0.89877
3 2pz 21.79395 3 2py -5.63012 3 2pz -1.23035 3 3d0 -11.01474 3 3d2+ -6.08868
3 3d1- 13.44084 3 4f1- -1.25933 3 4f3- -1.52260 3 4f2+ -0.58034 4 1s -1.12164
4 1s 15.66509 4 2py -1.61002 4 2pz 0.31595 4 2py 2.11062 4 2pz -2.12681
4 3d0 -0.34801 4 3d1- 0.95026 5 1s 0.71893 5 1s 1.39075 5 2pz -0.42222
5 2pz -0.39743 6 1s -0.41112 6 1s -25.86873 6 1s 11.54945 6 2pz -0.56055
6 2py 13.45138 6 2pz -5.70350 6 2py -2.35687 6 2pz 1.82924 6 3d0 2.22650
6 3d2+ 3.43493 6 3d1- 3.52118 6 4f0 0.36870 6 4f3- -0.43323 6 4f2+ 0.35977
7 1s 0.55903 7 1s 1.94443 7 2py -0.45912 7 2py 1.08728 7 2pz -1.98523
7 3d1- 1.01206 8 1s 0.73095 8 1s 25.07278 8 2py -0.39062 8 2pz 0.92677
8 3d0 -0.35346 8 3d2+ 0.28813 8 3d1- -0.72966 9 1s -0.28306 9 1s -48.07377
9 2pz -0.50340 9 2py -4.01815 9 2pz -0.71068 9 3d2+ -1.06597 9 3d1- -0.58513
10 1s -0.66503 10 1s -4.43742 10 2pz -0.53483 10 2py 2.70222 10 2pz -1.01950
10 3d0 -0.44127 11 1s 0.75423 11 1s -7.32868 11 2px 0.50787 11 2pz -0.38804
11 2px 0.96581 11 3d0 -0.34330 11 3d1- -0.26726 11 3d2- -0.35152 11 3d1+ -0.60015
35.1 -0.00000 0.15884 1 1s -15.66779 1 1s -2.10163 1 2py 9.75928 1 2pz -5.96276 1 2py 3.45387
1 2pz 3.39338 1 3d0 8.30682 1 3d2+ 3.96265 1 3d1- 10.38226 1 4f1- 0.85138
1 4f0 1.43179 1 4f2+ 1.09850 2 1s 0.29818 2 1s 13.41676 2 2py 0.33196
2 2pz -0.41040 2 2py -4.67821 2 2pz -21.73072 2 2py 0.40266 2 2pz -3.84552
2 3d0 6.33243 2 3d2+ 2.36113 2 3d1- 2.07770 2 4f2+ -0.41463 3 1s -0.26824
3 1s 10.04205 3 1s -29.81807 3 2py 0.47759 3 2py -6.01645 3 2pz 1.12194
3 2py -8.87762 3 2pz 7.86213 3 3d0 -0.26815 3 3d2+ -0.26414 3 3d0 -0.29599
3 3d2+ -0.58111 3 3d1- 8.51247 3 4f0 1.68761 3 4f3- 0.27756 3 4f2+ 0.73748
4 1s 0.52893 4 1s 8.91374 4 2pz -0.62876 4 2py 3.85353 4 2pz -5.34760
4 3d0 -1.20588 4 3d1- -0.81366 5 1s 0.79765 5 1s 4.12027 5 2pz -0.31835
5 2py -0.57774 5 2pz -0.89011 6 1s 0.26581 6 1s 0.66471 6 1s 17.44683
6 2pz 0.67994 6 2py 4.10966 6 2pz 2.80728 6 2py -0.87387 6 2pz -5.29776
6 3d2+ 0.43164 6 3d2+ 4.68599 6 3d1- 5.86229 6 4f2+ 0.75829 7 1s 11.18271
7 2pz 0.56112 7 2py -1.66746 7 2pz -2.04141 7 3d0 -0.59282 7 3d2+ 0.40320
7 3d1- -0.73708 8 1s -21.53576 8 2py 0.63773 8 2pz -0.36231 8 2py -0.73951
8 2pz -2.42905 8 3d2+ -0.40638 8 3d1- 0.38377 9 1s 0.29725 9 1s 9.14827
9 2py 0.29422 9 2pz -0.45484 9 2py 2.77331 9 2pz -2.65686 9 3d1- -0.56209
10 1s 0.46160 10 1s 16.30166 10 2py -0.45484 10 2pz 0.25370 10 2py -0.38721
10 2pz 4.20168 10 3d0 0.25877 11 1s -1.03865 11 1s -18.16806 11 2pz 0.40918
11 2pz 2.87626 11 2px -1.74788 11 3d1+ -0.27385
36.1 -0.00000 0.16909 1 1s 0.67445 1 1s 33.00522 1 1s 8.11141 1 2pz 0.35930 1 2py -12.27771
1 2pz 13.24295 1 2py -2.07980 1 2pz -2.83631 1 3d0 -0.40225 1 3d2+ -0.30316
1 3d1- -0.34789 1 3d0 0.93978 1 3d2+ -0.53781 1 3d1- -1.25856 1 4f1- 0.29594
1 4f0 0.44347 1 4f2+ -0.30667 2 1s 0.33921 2 1s -13.69141 2 1s 35.53620
2 2py -10.75533 2 2pz 25.08615 2 2py 2.04281 2 2pz 4.27619 2 3d0 -0.33504
2 3d1- -0.30534 2 3d0 -9.54705 2 3d2+ -6.88598 2 3d1- 0.50091 2 4f1- -1.71336
2 4f0 1.74625 2 4f3- -0.25029 2 4f2+ -0.92823 3 1s 15.33855 3 1s -55.36252
3 2pz -0.35537 3 2py 18.13892 3 2pz 13.25301 3 2py 3.93013 3 2pz 10.96226
3 3d0 -2.90370 3 3d1- 9.05349 3 4f1- -1.10243 3 4f0 0.48230 3 4f3- -1.55342
3 4f2+ -1.24742 4 1s -0.86474 4 1s 16.59756 4 2py -0.75832 4 2py 2.59762
4 2pz -7.54872 4 3d0 -0.50009 5 1s -0.31641 5 1s 1.24322 5 2py -0.60115
5 2py -2.47253 5 2pz -0.37622 5 3d1- 0.30645 6 1s -16.28454 6 1s 15.05682
6 2py 0.55819 6 2py 18.58187 6 2pz -7.13545 6 2py -4.53977 6 2pz 0.43382
6 3d0 0.41502 6 3d0 3.38708 6 3d2+ 2.42007 6 3d1- -0.90173 6 4f3- -0.45774
6 4f2+ 0.25230 7 1s -0.77767 7 1s 6.32224 7 2py 0.49048 7 2py 2.86304
7 2pz 4.80532 7 3d0 0.60727 7 3d1- 0.49498 8 1s 0.76002 8 1s 6.55678
8 2py 0.45825 8 2py 3.16510 8 2pz 2.68561 8 3d2+ -0.33984 9 1s -0.80531
9 1s -26.89465 9 2pz -0.29982 9 2py -1.07794 9 2pz 1.30606 9 3d2+ -0.83817
9 3d1- 0.41267 10 1s -1.64210 10 1s -20.23804 10 2pz -0.52093 10 2py 3.28056
10 2pz 2.66502 10 3d1- -1.00133 11 1s -0.53736 11 1s -4.86301 11 2py 0.27086
11 2px -0.41723 11 2py -0.36925 11 2pz -2.68492 11 3d1- 0.25435 11 3d1+ -0.29095
37.1 -0.00000 0.17891 1 1s -0.63255 1 1s -28.89013 1 1s -19.47246 1 2py -0.32113 1 2pz -0.27648
1 2py 6.60511 1 2pz -7.88163 1 2py 3.57341 1 2pz -3.17687 1 3d0 6.30137
1 3d2+ 4.14894 1 3d1- 3.79458 1 4f0 1.01284 1 4f3- -0.27551 1 4f2+ 1.19927
2 1s -0.37207 2 1s -11.10385 2 1s 24.04827 2 2py -9.06401 2 2pz -28.51001
2 2py 1.73441 2 2pz 2.84457 2 3d0 0.29026 2 3d0 8.78885 2 3d2+ 3.00570
2 3d1- -4.53319 2 4f1- 0.68528 2 4f3- -0.49442 2 4f2+ 1.41509 3 1s -0.52595
3 1s 1.87425 3 1s -45.60909 3 2py 0.36241 3 2pz -0.32541 3 2py -11.17502
3 2pz -20.72828 3 2py -11.61014 3 2pz -5.75024 3 3d0 4.43450 3 3d2+ 3.18727
3 3d1- -1.14264 3 4f0 -0.71455 3 4f3- 1.12571 3 4f2+ -0.40205 4 1s 0.38582
4 1s 11.86101 4 2py 1.43971 4 2py 3.64077 4 2pz -0.47228 4 3d0 0.44009
5 1s -0.68673 5 1s -6.02158 5 2pz 0.52029 5 2py -1.61886 5 2pz 2.29393
5 3d1- 0.29352 6 1s 17.01512 6 1s 42.82347 6 2py -8.35291 6 2pz -1.93338
6 2py -1.18709 6 2pz 3.41301 6 3d2+ -3.72301 6 3d1- -2.73617 6 4f0 -0.40679
6 4f3- 0.59687 6 4f2+ -0.70447 7 1s 0.52027 7 1s 6.96874 7 2pz 0.74166
7 2py -2.80337 7 2pz -2.80542 7 3d0 -0.62557 7 3d2+ 0.28290 7 3d1- -0.46977
8 1s -13.20510 8 2py 0.25902 8 2py -3.91113 8 2pz -0.80112 9 1s 0.91778
9 1s 10.29798 9 2py 0.31244 9 2pz 0.57449 9 2py 3.38350 9 2pz -3.17014
9 3d1- -0.46941 10 1s -0.58759 10 1s -4.06490 10 2py -4.43247 10 2pz -5.46768
10 3d0 0.35406 10 3d2+ -0.68520 10 3d1- 0.70698 11 1s 6.22625 11 2px -0.49028
11 2py -2.87547 11 2pz -2.52891
38.1 -0.00000 0.18237 1 1s 0.63444 1 1s 10.16664 1 1s 14.45991 1 2py 1.39755 1 2pz 14.31836
1 2py 4.34464 1 2pz -1.89514 1 3d0 0.41670 1 3d0 16.57236 1 3d2+ 6.93514
1 3d1- 6.83075 1 4f1- -0.39140 1 4f0 1.47941 1 4f3- 0.57674 1 4f2+ 1.21556
2 1s -11.95801 2 1s 10.30793 2 2py -24.47235 2 2pz 27.54836 2 2py -6.67214
2 2pz 7.46619 2 3d0 0.39532 2 3d1- 0.70965 2 3d0 30.93766 2 3d2+ 13.78620
2 3d1- 4.69556 2 4f1- -0.68775 2 4f0 2.11603 2 4f3- -0.32775 3 1s -0.50467
3 1s -25.00213 3 1s 0.92293 3 2py 0.25998 3 2pz 0.47390 3 2py 36.88444
3 2py 9.14594 3 2pz 0.76399 3 3d0 -0.52860 3 3d2+ -0.30713 3 3d0 9.34199
3 3d2+ 5.89070 3 3d1--10.48499 3 4f1- -0.26529 3 4f2+ -0.65881 4 1s 0.88795
4 1s -16.83008 4 2py 0.37889 4 2pz 0.89574 4 2py -2.94058 4 2pz 5.92003
4 3d0 -1.23480 4 3d1- -1.47053 4 4f0 0.45904 5 1s -0.33644 5 1s 1.75819
5 2py 0.96419 5 2py 3.38795 5 2pz -2.12207 5 3d1- -0.78158 6 1s 0.54263
6 1s -0.52148 6 1s -20.70566 6 2py 0.73018 6 2py 9.59760 6 2pz 0.50537
6 2py -2.08684 6 2pz 1.22609 6 3d0 1.45844 6 3d2+ 2.40276 6 3d1- -1.88579
6 4f3- 0.31837 6 4f2+ 0.41332 7 1s 0.33973 7 1s 28.86974 7 2py 0.34105
7 2pz 0.74734 7 2py -1.54338 7 2pz 5.53252 7 3d0 0.69110 7 3d2+ 0.81847
7 3d1- -0.30795 8 1s -0.69229 8 1s -25.77395 8 2py 0.48531 8 2py -4.30225
8 3d2+ -0.25222 8 3d1- 0.51861 9 1s 38.84035 9 2py -0.40300 9 2py 4.93093
9 2pz 1.53628 9 3d0 -0.41007 9 3d2+ 0.63568 9 3d1- 0.28133 10 1s -1.28449
10 1s -9.05916 10 2pz -0.41680 10 2py 3.85799 10 3d0 0.29873 10 3d1- 0.40481
11 1s -0.43293 11 1s 0.29746 11 2py -0.27916 11 2py 2.87289 11 2pz -0.79569
11 2px -1.07217 11 3d2- 0.59894
39.1 -0.00000 0.19142 1 1s 13.71666 1 1s 9.34237 1 2py -0.91801 1 2py -6.93438 1 2pz 11.13369
1 2py 10.40732 1 2pz 4.78877 1 3d0 0.28025 1 3d0 5.26094 1 3d2+ 2.69708
1 3d1- 6.02039 1 4f1- 0.27971 1 4f3- 0.41776 1 4f2+ -0.62968 2 1s -0.37648
2 1s 9.99575 2 1s -35.49121 2 2py 1.08584 2 2pz 23.30025 2 2py -9.40998
2 2pz -10.44616 2 3d0 6.31412 2 3d2+ 6.85168 2 3d1- 10.44216 2 4f0 -0.40432
2 4f3- 0.58205 2 4f2+ -0.60458 3 1s -0.27765 3 1s -5.02886 3 1s 33.40099
3 2py 0.58059 3 2pz -0.30084 3 2py 29.53260 3 2pz 14.05061 3 2py 0.51335
3 2pz 0.62084 3 3d0 -5.27496 3 3d2+ -6.83792 3 3d1- -5.05016 3 4f1- 0.83751
3 4f2+ 0.44402 4 1s 1.46376 4 1s -9.17901 4 2py 0.33860 4 2pz -0.76499
4 2py -0.66755 4 2pz -4.40245 4 3d0 0.40730 4 3d1- -0.73839 5 1s 2.66820
5 2py -1.49425 5 2pz -1.04984 6 1s -29.14427 6 1s 2.22318 6 2pz -0.55913
6 2py 27.64547 6 2pz -5.77163 6 2py -3.37123 6 2pz 5.40092 6 3d1- -0.55547
6 3d0 2.75847 6 3d2+ 0.45127 6 3d1- -8.72075 6 4f1- 0.28954 6 4f0 0.63467
6 4f3- -0.66334 7 1s 1.42113 7 1s 35.30567 7 2py -0.91458 7 2py -5.21279
7 2pz 4.34840 7 3d0 1.28572 7 3d1- 1.14052 8 1s -0.91058 8 1s -15.13410
8 2py -0.45355 8 2pz -0.72849 8 2py -2.23105 8 2pz -3.11991 9 1s 17.81456
9 2pz -0.35168 9 2py 0.77473 9 2pz -0.92841 9 3d0 -0.25599 9 3d2+ 0.47453
9 3d1- -0.50293 10 1s -1.05937 10 1s -45.50837 10 2py -0.32196 10 2pz -0.72831
10 2py 4.74161 10 2pz 1.29988 10 3d0 -0.57004 10 3d2+ 0.33596 10 3d1- -2.90224
11 1s 2.13216 11 1s 4.08027 11 2pz -0.48129 11 2px 0.48199 11 2pz -4.10119
11 2px 4.52921 11 3d0 -0.48021 11 3d2+ 0.32457 11 3d1- 0.77611 11 3d1+ -0.63197
40.1 -0.00000 0.19564 1 1s -9.87291 1 1s 25.96204 1 2pz 0.85527 1 2py -8.91003 1 2pz 0.48141
1 2py -4.60623 1 2pz -5.22733 1 3d1- -0.70440 1 3d0 -3.28681 1 3d2+ -4.29203
1 3d1- -6.10831 1 4f2+ -0.69350 2 1s -0.75570 2 1s -23.94407 2 1s -14.33691
2 2py -0.25743 2 2pz 0.59119 2 2py 6.54899 2 2pz -15.44971 2 2py 3.25662
2 2pz 12.07372 2 3d0 -0.66876 2 3d0 -11.05269 2 3d2+ -4.82309 2 3d1- -9.81442
2 4f1- 0.56462 2 4f0 0.89551 2 4f2+ 0.69465 3 1s 17.66057 3 1s -15.49926
3 2py -0.26977 3 2py -22.89980 3 2pz -15.64244 3 2py -3.85228 3 2pz -0.32366
3 3d0 -4.09423 3 3d2+ -0.28960 3 3d1- 3.33194 3 4f1- -0.59329 3 4f0 1.21529
3 4f3- 0.65893 3 4f2+ 1.15639 4 1s 3.33620 4 2py -0.29592 4 2py 2.48020
4 2pz -1.27782 4 3d0 -1.07477 4 3d1- -0.65279 5 1s 1.53443 5 1s 3.29078
5 2pz -0.61886 5 2pz -1.08828 6 1s -0.42558 6 1s 9.89492 6 1s 3.26437
6 2py -0.28500 6 2pz -0.38278 6 2py -6.92787 6 2pz 0.86835 6 2py 3.74286
6 2pz 0.51413 6 3d2+ -0.25082 6 3d0 -1.11878 6 3d2+ -3.69715 6 3d1- -1.01955
6 4f1- -0.59633 6 4f0 -0.43866 6 4f3- 0.42699 7 1s -7.24727 7 2py 2.49985
7 2pz 5.75200 7 3d0 0.48855 7 3d2+ -0.48299 7 3d1- 0.62315 8 1s 1.32972
8 1s 13.80338 8 2py 0.30910 8 2pz 0.70499 8 2py 1.36578 8 2pz 5.84354
8 3d0 0.55938 9 1s -0.43788 9 1s -15.94865 9 2py -2.88836 9 2pz -2.42268
10 1s 0.30894 10 1s -2.09058 10 2py 0.41907 10 2py -2.21139 10 2pz 0.83032
10 3d0 -0.97842 10 3d1- -0.37440 11 1s 0.81560 11 1s 6.42032 11 2py -0.74707
11 2px 0.55751 11 2py -3.20959 11 2pz -1.19040 11 3d1- 0.60648 11 3d1+ 0.29080
41.1 -0.00000 0.21003 1 1s -0.42356 1 1s 25.35143 1 1s -30.15760 1 2py -11.07169 1 2pz 6.63993
1 2py 8.20502 1 2pz 4.78061 1 3d0 0.35682 1 3d2+ 0.33323 1 3d1- 0.56878
1 3d0 -7.74226 1 3d2+ -0.83666 1 3d1- -6.52606 1 4f0 -0.85581 1 4f3- 0.29875
1 4f2+ -0.48962 2 1s -6.02927 2 1s 9.53256 2 2py 0.58553 2 2py 17.06649
2 2pz 12.64020 2 2py 3.93310 2 2pz -20.70349 2 3d0 0.43954 2 3d2+ 0.38197
2 3d0 -21.10745 2 3d2+-11.90420 2 3d1- 9.06081 2 4f1- -0.44403 2 4f0 -2.04395
2 4f3- -0.26558 2 4f2+ -1.95630 3 1s -11.15821 3 1s -22.87299 3 2py -0.50852
3 2py -16.20398 3 2pz 24.56343 3 2py -21.92414 3 2pz -4.20111 3 3d2+ 0.37855
3 3d0 -8.93106 3 3d2+ -4.82245 3 3d1- 15.88870 3 4f1- -0.65908 3 4f3- -0.78323
3 4f2+ -0.38422 4 1s 20.84619 4 2pz -0.96734 4 2py 3.49676 4 2pz -3.73320
4 3d0 0.31718 4 3d1- 1.21665 5 1s 0.35684 5 1s 2.18163 5 2py -0.44269
5 2pz -0.41415 5 2py -0.64109 5 3d1- 0.37320 6 1s -6.71042 6 1s 25.84992
6 2pz -0.41863 6 2py -0.86766 6 2pz -6.93487 6 2py 0.36869 6 2pz 6.79798
6 3d2+ -0.43062 6 3d1- 0.25461 6 3d0 0.77819 6 3d1- 10.64012 6 4f1- -0.39478
6 4f2+ 0.76899 7 1s 1.62867 7 1s 1.94649 7 2py -0.80545 7 2py -1.56556
7 2pz 1.26254 7 3d0 0.34222 7 3d2+ -0.57398 7 3d1- 0.37852 8 1s -0.57107
8 1s 18.60206 8 2py -0.30143 8 2pz -0.73688 8 2py 0.75704 8 2pz -3.87836
8 3d0 -0.72074 8 3d2+ 0.43432 8 3d1- -0.64924 9 1s 1.40689 9 1s -25.04378
9 2py 1.08137 9 2pz -1.07396 9 2py 0.63519 9 2pz 2.47410 9 3d2+ -0.95700
10 1s 11.77930 10 2py 0.46108 10 2pz -0.29464 10 2py 2.55580 10 2pz -0.90616
10 3d0 -0.85377 10 3d2+ 0.30575 10 3d1- 0.54078 11 1s 0.36445 11 1s -4.48299
11 2py -0.40472 11 2pz -0.33615 11 2py -4.16776 11 2pz -1.40447 11 2px -5.60760
11 3d0 0.66525 11 3d2+ -0.33666 11 3d1- -0.25432 11 3d2- -0.33868
42.1 -0.00000 0.21385 1 1s -0.96255 1 1s -3.45384 1 1s 3.00910 1 2py -0.88035 1 2pz 0.33471
1 2py 2.02462 1 2pz -2.92804 1 3d0 0.51055 1 3d2+ -0.57735 1 3d1- -1.18211
1 4f0 -0.42234 2 1s 11.75998 2 1s 44.00846 2 2py 0.36690 2 2py -5.75693
2 2pz 18.62774 2 2py -12.95293 2 2pz 11.08998 2 3d0 0.49975 2 3d1- -0.30987
2 3d0 10.07323 2 3d2+ 2.93751 2 3d1- -2.71202 2 4f0 0.67488 3 1s -17.55101
3 1s -24.41114 3 2py -0.25886 3 2py 27.05798 3 2pz -1.56748 3 2py 25.83592
3 2pz 8.93813 3 3d2+ 0.42260 3 3d1- -0.38396 3 3d0 4.53765 3 3d2+ 4.21285
3 3d1--11.33340 3 4f0 -0.81260 3 4f3- -1.26554 3 4f2+ -0.94559 4 1s -1.44877
4 1s -13.15710 4 2py -0.46072 4 2pz -2.75609 4 2py -3.33045 4 2pz -0.39813
4 3d2+ -0.38516 4 3d1- 0.55399 5 1s 1.26508 5 1s 5.03222 5 2py -1.23299
5 2pz -1.25170 5 2py -3.78178 5 2pz -2.31177 5 3d0 0.44149 5 3d1- 0.91863
6 1s -0.61428 6 1s -10.33239 6 1s -16.84733 6 2py -0.46489 6 2pz 4.14340
6 2py -2.11084 6 2pz -4.08198 6 3d0 -0.41461 6 3d0 -1.61336 6 3d1- -4.98864
6 4f1- 0.36905 6 4f2+ -0.33900 7 1s 0.58762 7 1s -2.10490 7 2py -0.92517
7 2pz 3.16431 7 3d1- -0.95380 8 1s 0.52554 8 1s -1.51220 8 2pz 0.34251
8 2py 2.61166 8 2pz -1.04565 8 3d1- 0.51941 9 1s 0.34381 9 1s 10.33096
9 2py 0.50803 9 2py 5.99519 9 3d2+ -0.35700 9 3d1- 0.43688 10 1s 0.73276
10 2pz 0.37250 10 2pz 0.45887 10 3d0 0.93347 11 1s 6.35349 11 2px 0.44716
11 2pz 2.73585 11 2px 3.35934 11 3d0 -0.26814
43.1 -0.00000 0.22244 1 1s -21.61076 1 1s 10.86709 1 2py 4.65124 1 2pz -2.23135 1 3d2+ -0.28929
1 3d1- -0.27223 1 3d0 2.28066 1 3d2+ -0.62145 1 3d1- 3.46513 1 4f0 -0.29512
1 4f3- 0.27847 1 4f2+ -0.44854 2 1s 0.42829 2 1s 19.96717 2 1s -32.91628
2 2py -0.62275 2 2pz 0.45519 2 2py 2.37869 2 2pz -4.37462 2 2py 0.71321
2 2pz 4.52476 2 3d0 -0.48841 2 3d2+ -0.30019 2 3d1- -0.26269 2 3d0 14.28470
2 3d2+ 8.72368 2 3d1- -2.70214 2 4f1- 2.20821 2 4f0 0.29665 2 4f3- 0.77406
2 4f2+ 0.80394 3 1s 0.90850 3 1s -6.11924 3 1s 35.62239 3 2pz -0.27134
3 2py 11.03499 3 2pz 7.66118 3 2py -1.81153 3 2pz -16.38717 3 3d2+ -0.32454
3 3d0 5.97519 3 3d1- -3.87751 3 4f1- 2.80424 3 4f0 0.53961 4 1s -0.48722
4 1s -11.16863 4 2py 0.40852 4 2pz -0.67476 4 2pz 1.50642 4 3d0 -1.01888
4 3d2+ -0.32435 5 1s 0.94936 5 2py -1.04039 5 2py -3.54450 5 2pz 1.15772
5 3d1- 0.84612 6 1s 0.85083 6 1s 7.34579 6 1s -12.44249 6 2py 0.50031
6 2pz 0.43889 6 2py 4.79226 6 2pz -2.79812 6 2py 0.26623 6 2pz 5.32227
6 3d2+ 0.28991 6 3d0 -1.03816 6 3d2+ 3.14450 6 3d1- 6.35157 6 4f1- 0.45972
6 4f0 0.85767 6 4f3- -1.17229 6 4f2+ 1.08351 7 1s -0.37356 7 1s 7.30904
7 2py 1.52616 7 2pz 3.60513 7 3d0 0.49229 8 1s -7.14529 8 2py 0.67426
8 2pz -1.11623 8 3d1- 0.29776 9 1s -1.51957 9 1s 21.36124 9 2py -0.68696
9 2pz 0.41655 9 2py -2.39914 9 2pz -4.05487 9 3d0 0.41996 9 3d2+ 1.06740
9 3d1- -0.35143 10 1s -0.30361 10 1s 3.40959 10 2py -0.37821 10 2py 7.00860
10 2pz 6.24375 10 3d2+ 0.85613 10 3d1- -0.93170 11 1s -0.91862 11 1s -8.83497
11 2py 0.40944 11 2px -0.65861 11 2py -3.23397 11 2pz 4.99588 11 2px -2.26656
11 3d2+ -0.53187 11 3d1- -0.77407 11 3d2- -0.36068
1.2 1.99998 -0.66391 6 2px 0.69580 11 1s -0.82294 11 1s 0.32022
2.2 1.99989 -0.57051 1 2px 0.42899 2 2px 0.56948 3 2px 0.35294 4 2px 0.29906
3.2 1.99851 -0.68532 2 2px -0.27605 4 2px 0.77605 5 2px 0.29306
4.2 1.57285 -0.49491 4 2px -0.31204 5 2px 0.97342
5.2 -0.00000 -0.03798 1 2px 0.50724 3 2px -0.61537 4 2px 0.35972
6.2 -0.00000 0.04127 1 2px 1.10984 1 3d2- 0.28450 1 3d1+ -0.29021 2 2px 1.24234 2 2px -0.61587
3 3d2- 0.84946 3 3d1+ 0.81763 4 3d1+ -0.25213 6 2px -0.97252 6 2px 3.21704
6 3d2- 0.39385 6 3d1+ -1.08738 7 2px -0.76533 8 2px -0.36959 10 2px -1.25078
11 1s -0.48978 11 1s -3.82852 11 2px -0.32825 11 2px -2.45586 11 3d2+ -0.29493
7.2 -0.00000 0.06363 1 2px 4.29499 1 3d2- 0.79251 1 3d1+ -0.95829 2 2px 1.76655 2 2px -2.19972
2 3d2- 0.27931 2 3d1+ -0.87823 3 2px -0.69729 3 2px 0.74550 3 3d2- -0.51472
3 3d1+ -0.49672 3 4f2- -0.27500 4 2px 0.53556 5 2px -0.30161 6 2px 1.24544
6 2px -3.05641 6 3d2- -0.27137 6 3d1+ 1.01800 7 2px -1.88237 8 2px -0.26476
8 2px -1.47390 10 2px 1.74925 11 1s 0.31729 11 1s 3.69672 11 2px 1.77345
11 2py 0.28021
8.2 -0.00000 0.06873 1 2px -0.62262 1 2px -1.51298 1 3d2- 0.25010 2 2px 2.99944 2 2px 2.67360
2 3d1+ 0.76842 3 2px -0.89290 3 2px 2.58849 3 3d2- 1.13446 3 3d1+ 1.10062
4 2px -0.32288 4 2px -0.89126 4 3d2- -0.29087 5 2px 0.26827 5 2px 0.65664
6 2px 0.36217 6 2px 2.48151 6 2px -4.63471 6 3d1+ 0.27173 6 3d2- 0.87550
6 3d1+ 1.58235 8 2px 0.42675 9 2px -1.00614 10 2px 1.32102 10 3d2- -0.26451
11 1s 0.91225 11 1s 9.10805 11 2px 0.39779 11 2px 2.42575 11 2py -1.24917
11 2pz -0.32093
9.2 -0.00000 0.09594 1 2px 0.79581 1 2px -3.64648 1 3d1+ 0.39604 2 2px 1.33014 2 2px 10.12271
2 3d2- -0.61008 2 3d1+ 1.40119 3 2px -1.36828 3 2px -12.59536 3 3d2- 1.31151
4 2px 0.50705 4 2px 2.95277 4 3d2- 0.29260 5 2px -0.82214 6 2px -1.41726
6 2px 6.38948 6 3d2- 1.00002 7 2px 0.31554 9 2px -1.83741 10 2px -1.16077
11 1s -0.44907 11 1s -1.78777 11 2py 0.35594 11 2px -0.49026 11 2py 2.16575
10.2 -0.00000 0.11689 1 2px -0.46122 1 2px -5.20940 1 3d2- -0.92394 2 2px -0.27378 2 2px 6.92721
2 3d2- -0.72299 2 3d1+ 0.71004 3 2px 3.48792 3 2px -3.43652 3 3d2- 1.50379
3 4f1+ 0.29892 4 2px 0.37484 5 2px -0.35323 6 2px -0.43472 6 2px -2.89327
6 2px 1.84360 6 3d2- 2.01191 6 3d1+ 0.96271 7 2px 0.29677 7 2px 2.61043
7 3d2- -0.36375 8 2px 0.33539 9 2px -0.36148 9 2px -2.17338 9 3d2- -0.28222
10 2px -0.44866 11 1s -0.73370 11 1s -0.52132 11 2px -0.51394 11 2pz 0.31860
11 2px -0.85574 11 2py 0.76966 11 2pz 1.67889 11 3d1+ 0.33881
11.2 -0.00000 0.13409 1 2px -1.70865 1 2px 4.43048 1 3d1+ -1.86719 2 2px 0.34447 2 2px -7.32555
2 3d2- 1.04183 2 3d1+ -2.29324 2 4f2- -0.26852 3 2px -0.35811 3 2px 3.55726
3 2px 5.69707 3 3d2- -0.52200 3 3d1+ -0.99423 3 4f3+ -0.28413 4 2px 0.28793
4 3d1+ 0.48360 5 2px -0.33326 5 2px -0.69968 5 3d1+ 0.29321 6 2px -0.42944
6 2px -2.55263 6 2px -1.96001 6 3d2- -0.26580 6 3d2- 0.41049 6 3d1+ 0.74408
6 4f2- -0.30340 7 2px -0.76489 8 2px -2.57447 8 3d1+ -0.25832 9 2px 2.19241
9 3d2- 0.25316 10 2px 1.03303 10 3d2- -0.31603 11 1s -0.82513 11 1s -3.37088
11 2px -0.55285 11 2pz 0.34305 11 2px -1.53101 11 2py -0.92001 11 2pz 1.12328
11 3d1+ 0.29440
12.2 -0.00000 0.15483 1 2px 1.74816 1 2px -1.37231 1 3d2- -2.50565 1 3d1+ 0.71139 1 4f1+ -0.30603
1 4f3+ -0.30604 1 4f2- -0.47398 2 2px 1.83425 2 2px 0.73135 2 3d2- 2.12515
2 3d1+ 5.14771 2 4f1+ -0.27447 2 4f3+ -0.28471 3 2px -3.25800 3 2px -2.69873
3 3d2- 4.75353 3 3d1+ 2.20767 3 4f1+ -0.48987 4 2px 1.60619 4 3d1+ -1.03677
5 2px 0.70443 5 2px 1.38037 5 3d1+ -0.58019 6 2px -0.79608 6 3d2- 2.61319
6 3d1+ 2.62658 6 4f1+ 0.32750 6 4f2- -0.26878 7 2px 2.42060 8 2px 0.26488
8 2px 0.64153 8 3d2- 0.31582 9 2px 2.21133 9 3d2- 0.28228 9 3d1+ -0.49511
10 2px 1.51157 10 3d2- -0.49332 11 1s 8.48809 11 2pz 0.26255 11 2px -0.26680
11 2py -1.64675 11 3d2+ -0.83983 11 3d1- -0.36393
13.2 -0.00000 0.16325 1 2px 0.35962 1 3d2- -0.43900 1 3d1+ 0.36940 2 2px -1.55253 3 2px 1.33208
3 2px 1.24911 3 3d2- -0.74749 3 3d1+ -1.53158 3 4f3+ -0.36680 3 4f2- -0.53947
4 2px 0.64436 4 3d2- 0.33528 4 3d1+ 0.72442 5 2px -0.59529 5 2px -0.93767
5 3d1+ 0.38654 6 2px 1.11323 6 2px 6.03747 6 2px -7.58163 6 3d1+ 0.79279
6 3d2- 0.96598 6 3d1+ 4.68375 6 4f2- -0.43263 7 2px 1.06447 7 3d2- -0.25829
8 2px -0.38744 9 2px -0.34825 10 2px 0.32136 10 2px 3.79115 10 3d2- -0.47471
11 1s 2.63746 11 1s 22.47168 11 2px 1.37410 11 2py -0.55215 11 2pz -0.74907
11 2px 9.16118 11 2py 0.65401 11 2pz -0.75505 11 3d0 -0.29181 11 3d2+ 0.68859
11 3d1- -0.28336
14.2 -0.00000 0.17817 1 2px 1.65947 1 2px -0.44639 1 3d2- 0.79766 1 3d1+ 2.82877 1 4f1+ 0.32075
1 4f2- 0.27979 2 2px -2.13456 2 2px -5.00391 2 3d2- -1.22985 2 3d1+ 2.24682
2 4f1+ 0.41223 2 4f3+ 0.53202 2 4f2- 0.47538 3 2px 4.16548 3 2px 3.32697
3 3d2- 4.08842 3 3d1+ 0.84550 3 4f3+ -0.71514 3 4f2- -0.41074 4 2px 1.74497
4 3d2- 0.34731 4 3d1+ 0.82641 5 2px -0.59866 5 2px -2.03490 5 3d1+ 0.55340
6 2px -0.30936 6 2px -4.75495 6 2px 1.35994 6 3d2- 3.62120 6 3d1+ 1.90299
6 4f1+ -0.40395 6 4f2- -0.37947 7 2px -0.65702 7 3d1+ -0.49378 8 2px 0.31157
8 2px 4.28751 8 3d1+ 0.45521 9 2px 0.54650 9 2px 1.57329 9 3d2- 0.30309
10 2px -1.23693 10 3d2- -0.40823 10 3d1+ -0.67034 11 1s -0.48733 11 1s 2.15155
11 2px -0.31681 11 2px -0.71644 11 2py 0.32598 11 2pz 2.45105 11 3d1+ 0.45477
11 3d0 -0.39409
15.2 -0.00000 0.19126 1 2px 0.26125 1 3d2- -2.57856 1 3d1+ -0.48507 1 4f1+ -0.42326 1 4f3+ -0.30593
1 4f2- -0.44710 2 2px -0.47876 2 2px -2.16961 2 3d2- 2.29977 2 3d1+ 1.68660
2 4f1+ -0.41828 2 4f3+ -0.47595 2 4f2- -0.31352 3 2px 2.64499 3 2px -0.25274
3 3d2- 2.56052 3 3d1+ 1.95394 3 4f3+ -0.39234 3 4f2- 0.77220 4 2px 0.83974
4 2px 1.90514 4 3d2- 0.25004 5 2px -0.36911 5 2px -2.64581 5 3d1+ 0.52411
6 2px -4.40242 6 2px 2.70907 6 3d2- 2.59899 6 3d1+ -1.97451 6 4f2- 0.29106
7 2px 3.47031 7 3d2- -0.30865 7 3d1+ 0.25740 8 2px -1.75108 8 3d1+ -0.36453
9 2px 2.87148 9 3d2- 0.28098 9 3d1+ -0.26908 10 2px -0.34128 10 2px -3.10660
11 1s -3.97597 11 2px -1.72512 11 2py 0.90567 11 2pz -3.19187 11 3d1+ -0.44344
11 3d2+ -0.29361 11 3d1- 0.37079
16.2 -0.00000 0.19767 1 2px 1.81195 1 2px -1.44695 1 3d2- -1.09393 1 3d1+ 1.05010 1 4f2- -0.29491
2 2px -3.93950 2 2px 0.54181 2 3d1+ 1.46099 3 2px 2.08436 3 2px -3.52788
3 3d2- 0.61709 3 3d1+ 0.36725 4 2px -0.79067 4 2px -2.58252 4 3d2- -0.44686
4 3d1+ -0.29636 5 2px 0.38818 5 2px 1.51770 5 3d1+ -0.41501 6 2px -0.34520
6 2px -2.05984 6 2px 3.82501 6 3d2- 0.28991 6 3d2- 2.52701 6 3d1+ 0.30117
7 2px 1.42739 8 2px 0.54867 9 2px 0.28337 9 2px 2.63285 9 3d2- 0.43737
10 2px -0.82421 11 2py 0.89213 11 2pz 0.32386 11 2px -0.39533 11 2py 6.16688
11 2pz 1.32887 11 3d2- 0.61781 11 3d1- -0.58260
17.2 -0.00000 0.21216 1 2px 0.25720 1 2px -1.61575 1 2px 2.50835 1 3d2- 1.31229 1 3d1+ -2.68340
2 2px 1.74442 2 2px 3.61121 2 3d1+ -3.30379 3 2px 1.77010 3 2px -11.24237
3 3d1+ -0.33437 3 3d1+ -3.43119 3 4f1+ -0.28213 3 4f3+ -0.25789 3 4f2- -0.33873
4 2px 0.78882 4 2px 6.01091 4 3d2- 0.85990 4 3d1+ -0.49791 5 2px -0.76718
6 2px -0.26428 6 2px -1.19468 6 2px 4.46253 6 3d2- 1.71757 6 3d1+ 1.56724
6 4f2- -0.57767 7 2px -0.29911 7 2px -2.53402 7 3d2- 0.29146 8 2px -0.35455
8 2px -3.16239 8 3d2- -0.33247 8 3d1+ -0.26717 9 2px -0.27663 10 2px -0.73894
10 3d1+ -0.26861 11 1s -0.32377 11 1s 1.56692 11 2py 0.29661 11 2px 1.85200
11 2py 4.23996 11 2pz 2.11768 11 3d1+ 0.27088 11 3d2+ 0.53551 11 3d1- -0.43249
18.2 -0.00000 0.24405 1 2px 2.78763 1 2px -4.56910 1 3d2- 0.62952 1 3d1+ 2.85937 1 4f1+ 0.36502
1 4f2- 0.30697 2 2px -4.04440 2 2px 8.04922 2 3d2- -4.87583 2 3d1+ 1.27553
2 4f1+ 0.39241 2 4f3+ 0.67918 3 2px 2.71048 3 2px -7.28772 3 3d2- 1.93241
3 3d1+ -3.03044 3 4f1+ 0.40271 3 4f2- -0.78034 4 2px 4.43728 5 2px -0.35828
5 2px -2.81259 5 3d1+ 0.28882 6 2px -0.42519 6 2px -2.18479 6 2px 4.85137
6 3d2- 1.08845 6 3d1+ 1.66682 6 4f2- -0.38919 7 2px -0.51523 7 3d1+ -0.48751
8 2px 3.22393 9 2px -5.74464 9 3d2- -0.42061 10 2px 0.28653 10 2px 5.49849
10 3d1+ 0.49055 11 1s -0.59878 11 1s -2.16489 11 2px -0.71758 11 2py 0.42582
11 2px -4.96884 11 2py 5.43958 11 2pz -6.93092 11 3d2- 0.58090 11 3d1+ -0.61517
11 3d0 1.04278
19.2 -0.00000 0.24902 1 2px 0.25131 1 2px -5.98751 1 2px 6.99048 1 3d2- 3.42786 1 3d1+ -4.35250
1 4f3+ 0.33525 1 4f2- 0.33479 2 2px 9.95735 2 2px -11.99179 2 3d2- 4.04207
2 3d1+ -4.16525 2 4f1+ 0.53064 2 4f3+ -0.28202 3 2px -2.78612 3 2px 11.14625
3 3d2- -0.86164 3 3d1+ 1.31397 3 4f1+ -1.03638 3 4f3+ -0.37941 4 2px -1.92276
4 3d1+ 0.67267 5 2px -1.74684 6 2px 0.43681 6 2px 2.96620 6 2px -4.81582
6 3d1+ 0.43879 6 3d2- -0.87457 6 3d1+ 1.87844 6 4f1+ 0.36444 6 4f2- -0.30306
7 2px -0.28550 7 2px -7.13538 7 3d2- 0.78059 8 2px -1.42999 8 3d2- -0.53146
9 2px 0.25988 9 2px 5.25717 9 3d2- 0.44570 9 3d1+ 0.31858 10 2px 9.04850
10 3d2- -0.59363 10 3d1+ 0.82920 11 1s 1.43572 11 1s 7.78462 11 2px 0.33332
11 2py -0.32430 11 2pz -0.41666 11 2px -2.00975 11 2py 1.23264 11 2pz -6.92777
11 3d2- 0.38007 11 3d1+ -0.59566 11 3d0 0.79508 11 3d2+ -0.28697
20.2 -0.00000 0.26798 1 2px -2.53451 1 2px -0.33296 1 3d2- -1.17460 1 3d1+ -2.14569 1 4f1+ -0.40178
2 2px 4.50685 2 2px -1.42128 2 3d2- 1.72809 2 3d1+ 0.46162 2 4f1+ -0.27055
2 4f3+ -0.49338 2 4f2- -0.48140 3 2px 0.26449 3 2px 4.51651 3 2px 3.67643
3 3d2- 2.14057 3 3d1+ 1.82385 3 4f2- -0.66189 4 2px -0.63366 4 2px -2.38354
4 3d1+ 0.34092 5 2px 1.08988 5 3d2- 0.29210 6 2px -0.27381 6 2px -1.22016
6 2px -5.09477 6 2px -1.16973 6 3d2- -0.51819 6 3d2- 3.30086 6 3d1+ 2.90809
6 4f1+ -0.29471 6 4f3+ 0.53252 7 2px 0.73239 8 2px -0.83270 9 2px -0.39757
9 2px 1.04481 10 2px 0.64373 10 2px 1.24432 10 3d2- -0.61570 11 1s -1.81283
11 1s -1.36558 11 2px -1.44504 11 2pz 0.99757 11 2px -2.37993 11 2py -1.39386
11 2pz 3.41019 11 3d2- -0.40833 11 3d1+ 1.08562 11 3d2+ -0.63991
21.2 -0.00000 0.28405 1 2px 3.13268 1 2px -2.71418 1 3d2- -1.13670 1 3d1+ 1.93652 1 4f2- 0.40376
2 2px 0.33823 2 2px 7.96517 2 2px 5.58684 2 3d2- -0.69938 2 3d1+ 8.54579
2 4f1+ 0.79658 2 4f3+ 0.37634 3 2px 5.17125 3 2px -4.15487 3 3d2- 0.34647
3 3d2- 13.71843 3 3d1+ 5.54891 3 4f1+ 0.42848 3 4f2- -0.61853 4 2px -0.72999
4 2px 2.02255 4 3d2- -1.06873 4 3d1+ -0.98006 5 2px 0.94839 5 2px -0.47943
5 3d1+ -0.35848 6 2px 0.71657 6 2px 4.77614 6 2px -0.71064 6 3d2- 0.80509
6 3d1+ 0.70417 6 3d2- 13.89526 6 3d1+ 9.37920 6 4f1+ -0.27682 6 4f3+ 0.69272
6 4f2- 0.25545 7 2px 2.07246 7 3d2- -0.55268 7 3d1+ -0.84297 8 2px -0.26202
8 2px 0.96184 9 2px -1.27701 9 3d1+ -0.64944 10 3d2- -1.29794 10 3d1+ -1.58096
11 1s 2.99368 11 1s 45.12086 11 2px 0.51094 11 2py 0.57331 11 2pz -0.66944
11 2px 6.20195 11 2py 2.56075 11 2pz 0.25521 11 3d1+ 0.86673 11 3d0 -0.73730
11 3d2+ -1.30654 11 3d1- -0.75431
22.2 -0.00000 0.32686 1 2px 1.10473 1 2px -0.66651 1 3d2- 0.25367 1 3d2- 1.19588 1 3d1+ 1.47228
1 4f1+ -0.26175 1 4f2- 0.65089 2 2px 15.00091 2 2px -1.44957 2 3d2- 4.01503
2 3d1+ 8.45215 2 4f1+ 1.01276 2 4f2- 1.29984 3 2px -18.69831 3 2px 1.12835
3 3d2- 3.55692 3 3d1+ 9.34176 3 4f1+ -0.72867 3 4f2- -0.38511 4 2px -3.14650
5 2px 1.16170 5 3d2- 0.31300 6 2px -1.12114 6 2px -8.65844 6 2px 3.79459
6 3d1+ -0.75815 6 3d2- -2.11759 6 3d1+ -5.72530 6 4f1+ -0.50819 6 4f3+ -1.11790
6 4f2- 0.42203 7 2px -1.88545 7 3d1+ -1.10202 8 2px 2.84686 8 3d2- 0.47587
9 2px 0.31845 9 2px 2.79438 10 2px -2.40267 10 3d1+ -0.53573 11 1s -3.27582
11 1s -25.13355 11 2px -0.73643 11 2py 0.88692 11 2pz 0.47742 11 2px -6.60979
11 2py -0.77286 11 2pz 2.18408 11 3d0 -0.37506 11 3d2+ -0.47712 11 3d1- -0.29982
23.2 -0.00000 0.34904 1 2px 0.29309 1 2px -2.36192 1 3d2- 1.03227 1 3d1+ -1.70732 1 4f1+ -0.70685
1 4f3+ -0.28541 1 4f2- 0.76672 2 2px 2.13245 2 2px 2.42381 2 3d1+ 0.25878
2 3d2- -0.38919 2 3d1+ -2.61846 3 2px -10.79878 3 2px -0.88106 3 3d2--10.01837
3 3d1+ -1.57668 3 4f1+ 1.21316 3 4f3+ 1.97058 3 4f2- -0.48263 4 2px 0.30916
4 2px -2.78778 4 4f1+ 0.42154 5 2px -0.86939 5 2px 1.07433 5 3d1+ 0.44329
6 2px 0.80785 6 2px 20.64745 6 2px -2.57476 6 3d1+ 0.57693 6 3d2- -6.43305
6 3d1+ 0.39365 6 4f3+ 0.49108 6 4f2- 1.26704 7 2px -1.78815 7 3d1+ -0.65446
8 2px -1.02205 8 3d2- 0.84322 8 3d1+ -0.56571 9 2px -1.61420 9 3d1+ 0.57121
10 2px 0.51579 10 2px 2.41820 10 3d2- 1.07737 11 1s 2.76370 11 1s 14.08448
11 2px 0.36430 11 2py 0.63261 11 2pz -0.37656 11 2px 4.92907 11 2py 0.66052
11 2pz -0.25398 11 3d2- 0.52265 11 3d1+ 0.32510 11 3d0 0.39019 11 3d2+ 1.21674
11 3d1- 0.32493
24.2 -0.00000 0.37610 1 2px 20.91661 1 2px -0.95076 1 3d1+ 0.33557 1 3d2- -3.68984 1 3d1+ 11.03688
1 4f1+ 1.25315 2 2px -12.74347 2 2px -0.43996 2 3d1+ 0.47737 2 3d2- -4.77328
2 3d1+ 15.01405 2 4f3+ 1.06908 2 4f2- 0.28695 3 2px -0.84810 3 2px 2.07642
3 3d2- 7.92858 3 3d1+ 5.19708 3 4f2- -1.05417 4 2px -0.46725 4 2px -1.77129
5 2px -0.35697 5 2px 1.05680 6 2px 0.31723 6 2px 0.64904 6 2px -1.69744
6 3d1+ 0.27306 6 3d2- 4.74727 6 3d1+ 2.87231 6 4f1+ 0.32125 6 4f3+ 0.77110
7 2px -0.40407 7 2px 2.87011 7 3d2- 0.43647 7 3d1+ -1.38759 8 2px -0.44949
8 2px 3.04342 9 2px 0.88636 9 2px -0.51801 9 3d2- 0.54815 9 3d1+ -1.70862
10 2px -3.08622 10 3d2- 0.33036 10 3d1+ -0.44391 11 1s 0.77479 11 1s 15.82643
11 2py -0.25837 11 2px 2.34230 11 2py -3.41817 11 2pz 2.01248 11 3d2- -0.50017
11 3d1+ 0.53172

Natural orbital dump (state averaged) at molpro section 2140.2 (Orbital set 2)

CI vector for state symmetry 1
==============================

220000 2222 0.9802593 -0.0324080 -0.0099091 0.0023974
2b0a00 2222 -0.0243829 -0.6804580 -0.1149976 0.1464290
2a0b00 2222 0.0243829 0.6804580 0.1149976 -0.1464290
2b00a0 2222 -0.0046407 -0.0032284 -0.5477102 -0.4453290
2a00b0 2222 0.0046407 0.0032284 0.5477102 0.4453290
2ba000 2222 -0.0002293 -0.1863312 0.4301162 -0.5277843
2ab000 2222 0.0002293 0.1863312 -0.4301162 0.5277843
2a000b 2222 0.1302750 -0.0059602 -0.0030084 0.0017775
2b000a 2222 -0.1302750 0.0059602 0.0030084 -0.0017775
200002 2222 -0.0571136 0.0014300 0.0004593 -0.0015003

TOTAL ENERGIES -304.58973103 -304.44174915 -304.42140555
-304.41937295

CI vector for state symmetry 2
==============================

220a00 222b 0.6747692 0.1066928 -0.1716989
220b00 222a -0.6747692 -0.1066928 0.1716989
2200a0 222b -0.0141794 0.6219944 0.3299484
2200b0 222a 0.0141794 -0.6219944 -0.3299484
22a000 222b 0.2014754 -0.3127002 0.5983069
22b000 222a -0.2014754 0.3127002 -0.5983069

TOTAL ENERGIES -304.46728583 -304.44631379 -304.44468437

**********************************************************************************************************************************
DATASETS * FILE NREC LENGTH (MB) RECORD NAMES
1 19 146.53 500 610 700 900 950 970 1000 129 960 1100
VAR BASINP GEOM SYMINP ZMAT AOBASIS BASIS P2S ABASIS S
1400 1410 1200 1210 1080 1600 1650 1700 1380
T V H0 H01 AOSYM SMH MOLCAS OPER JKOP

2 5 16.48 700 1000 520 2100 2140
GEOM BASIS MCVARS RHF MCSCF

PROGRAMS * TOTAL MULTI HF-SCF INT
CPU TIMES * 962.55 232.76 93.62 636.03
REAL TIME * 1859.95 SEC
DISK USED * 163.14 MB (local), 100.01 GB (total)
SF USED * 247.92 MB
GA USED * 0.00 MB (max) 0.00 MB (current)
**********************************************************************************************************************************

PROGRAM * RS2-F12 (Explicitly correlated CASPT2 Theory) Authors: T. Shiozaki and H.-J. Werner (2010)
using RS2 (Multireference RS Perturbation Theory) Authors: H.-J. Werner (1993), P. Celani (1998)

IPEA shift= 0.30
SPIN SYMMETRY NOT POSSIBLE

Tatiana Korona

unread,

Nov 10, 2021, 10:00:22 AM11/10/21

to behnam nikoobakht, molpro-user

Dear Behnam,

You use a different number of electrons in MULTI and RS2.

{multi;maxit,40;occ,23,4
frozen,17,0
wf,46,1,0;state,4;wf,46,2,0;state,3 <<<<<<<<<<<<<<<<<<<<<<<
natorb,ci,print;
thresh,0.03
orbprint,20}

{RS2-F12,nocheck,IPEA=0.30
wf,24,1,0; <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
maxit,200,400;
orbital;
state,4,1,2,3,4
thresh,printci=0.03
print,ref=0,ref=1}

Best wishes,

Tatiana

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