2614 lines
185 KiB
Plaintext
2614 lines
185 KiB
Plaintext
210 significant shell pairs computed in 0.000099 seconds
|
|
0
|
|
Computed Electron repulsion integrals Integrals in parallel in 3.444569 seconds
|
|
|
|
******************************************************************************************
|
|
* QuAcK QuAcK QuAcK *
|
|
* __ __ __ __ __ __ __ __ __ *
|
|
* <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ *
|
|
* ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / *
|
|
*|--------------------------------------------------------------------------------------|*
|
|
******************************************************************************************
|
|
|
|
----------------------
|
|
Number of atoms 2
|
|
----------------------
|
|
|
|
----------------------
|
|
Number of spin-up electron 1
|
|
Number of spin-down electron 1
|
|
Total number of electron 2
|
|
----------------------
|
|
|
|
----------------------
|
|
Number of core electron 0
|
|
Number of Rydberg electron 0
|
|
----------------------
|
|
|
|
------------------
|
|
Molecular geometry
|
|
------------------
|
|
Atom n. 1
|
|
Z = 1.0000000000
|
|
Atom coordinates: 0.0000000000 0.0000000000 0.0000000000
|
|
Atom n. 2
|
|
Z = 1.0000000000
|
|
Atom coordinates: 0.0000000000 0.0000000000 5.3857194576
|
|
|
|
------------------
|
|
Nuclear repulsion energy = 0.1856762143
|
|
------------------
|
|
|
|
Gaussian basis set
|
|
------------------
|
|
Atom n. 1
|
|
number of shells 10
|
|
------------------
|
|
s-type shell with K = 6
|
|
Exponents Contraction
|
|
82.6400000000 0.0020060000
|
|
12.4100000000 0.0153430000
|
|
2.8240000000 0.0755790000
|
|
0.7977000000 0.2568750000
|
|
0.2581000000 0.4973680000
|
|
0.0898900000 0.2961330000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.7977000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2581000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0898900000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
2.2920000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.8380000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2920000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
2.0620000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.6620000000 1.0000000000
|
|
f-type shell with K = 1
|
|
Exponents Contraction
|
|
1.3970000000 1.0000000000
|
|
------------------
|
|
Atom n. 2
|
|
number of shells 10
|
|
------------------
|
|
s-type shell with K = 6
|
|
Exponents Contraction
|
|
82.6400000000 0.0020060000
|
|
12.4100000000 0.0153430000
|
|
2.8240000000 0.0755790000
|
|
0.7977000000 0.2568750000
|
|
0.2581000000 0.4973680000
|
|
0.0898900000 0.2961330000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.7977000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2581000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0898900000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
2.2920000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.8380000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2920000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
2.0620000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.6620000000 1.0000000000
|
|
f-type shell with K = 1
|
|
Exponents Contraction
|
|
1.3970000000 1.0000000000
|
|
------------------
|
|
Number of shells 20
|
|
------------------
|
|
|
|
------------------
|
|
Number of basis functions 70
|
|
------------------
|
|
|
|
Scaling integrals by 1.0000000000000000
|
|
|
|
Total CPU time for reading integrals = 1.791 seconds
|
|
|
|
|
|
Lowdin orthogonalization
|
|
|
|
|
|
************************************************
|
|
* Unrestricted Hartree-Fock calculation *
|
|
************************************************
|
|
|
|
|
|
----------------------------------------------------------
|
|
| # | E(UHF) | Ex(UHF) | Conv |
|
|
----------------------------------------------------------
|
|
| 1 | -0.8269074931 | -0.4110251921 | 1.000000 |
|
|
| 2 | -0.8768640922 | -0.4088503539 | 0.067895 |
|
|
| 3 | -0.9414674020 | -0.4873704520 | 0.075506 |
|
|
| 4 | -0.9860592683 | -0.5638649163 | 0.041965 |
|
|
| 5 | -0.9977046821 | -0.5995732150 | 0.016734 |
|
|
| 6 | -0.9997474436 | -0.6139665692 | 0.006334 |
|
|
| 7 | -1.0000746619 | -0.6198499360 | 0.002503 |
|
|
| 8 | -1.0001267147 | -0.6222850576 | 0.001058 |
|
|
| 9 | -1.0001350777 | -0.6232947221 | 0.000442 |
|
|
| 10 | -1.0001364355 | -0.6237124136 | 0.000184 |
|
|
| 11 | -1.0001366576 | -0.6238846943 | 0.000076 |
|
|
| 12 | -1.0001366941 | -0.6239555616 | 0.000031 |
|
|
| 13 | -1.0001367002 | -0.6239846485 | 0.000013 |
|
|
| 14 | -1.0001367012 | -0.6239965664 | 0.000005 |
|
|
| 15 | -1.0001367013 | -0.6240014430 | 0.000002 |
|
|
| 16 | -1.0001367014 | -0.6240034364 | 0.000001 |
|
|
| 17 | -1.0001367014 | -0.6240042506 | 0.000000 |
|
|
| 18 | -1.0001367014 | -0.6240045829 | 0.000000 |
|
|
| 19 | -1.0001367014 | -0.6240047185 | 0.000000 |
|
|
----------------------------------------------------------
|
|
|
|
-------------------------------------------------
|
|
Summary
|
|
-------------------------------------------------
|
|
One-electron energy: -1.3718619965 au
|
|
One-electron a energy: -0.6859309983 au
|
|
One-electron b energy: -0.6859309983 au
|
|
Kinetic energy: 0.9977503177 au
|
|
Kinetic a energy: 0.4988751589 au
|
|
Kinetic b energy: 0.4988751589 au
|
|
Potential energy: -2.3696123142 au
|
|
Potential a energy: -1.1848061571 au
|
|
Potential b energy: -1.1848061571 au
|
|
-------------------------------------------------
|
|
Two-electron energy: 0.1860490809 au
|
|
Two-electron aa energy: -0.0000000000 au
|
|
Two-electron ab energy: 0.1860490809 au
|
|
Two-electron bb energy: -0.0000000000 au
|
|
Hartree energy: 0.8100537994 au
|
|
Hartree aa energy: 0.3120023592 au
|
|
Hartree ab energy: 0.1860490809 au
|
|
Hartree bb energy: 0.3120023592 au
|
|
Exchange energy: -0.6240047185 au
|
|
Exchange a energy: -0.3120023592 au
|
|
Exchange b energy: -0.3120023592 au
|
|
-------------------------------------------------
|
|
Electronic energy: -1.1858129156 au
|
|
Nuclear repulsion: 0.1856762143 au
|
|
UHF energy: -1.0001367014 au
|
|
-------------------------------------------------
|
|
UHF HOMO a energy: -13.602480 eV
|
|
UHF LUMO a energy: 1.331096 eV
|
|
UHF HOMOa-LUMOa gap: 14.933576 eV
|
|
-------------------------------------------------
|
|
UHF HOMO b energy: -13.602480 eV
|
|
UHF LUMO b energy: 1.331096 eV
|
|
UHF HOMOb-LUMOb gap : 14.933576 eV
|
|
-------------------------------------------------
|
|
S (exact) : 1.000000
|
|
S : 2.228817
|
|
<S**2> (exact) : 0.000000
|
|
<S**2> : 0.991906
|
|
-------------------------------------------------
|
|
Dipole moment (Debye)
|
|
X Y Z Tot.
|
|
0.000000 -0.000000 0.000000 0.000000
|
|
-------------------------------------------------
|
|
|
|
-----------------------------------------
|
|
UHF spin-up orbital coefficients
|
|
-----------------------------------------
|
|
1 2 3 4 5
|
|
1 -0.01689510 0.73093831 -0.06188508 0.01687669 0.16681617
|
|
2 0.00173078 0.02036815 0.00577645 -0.37683173 0.05820021
|
|
3 0.00654785 -0.77565905 0.02838535 3.11169121 -0.37708995
|
|
4 0.00154778 0.87910918 -0.29483878 -1.94646913 0.19326526
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.00002147 -0.00297938 -0.03219675 0.05886795 -0.43672597
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 -0.00057891 0.01076458 0.12431815 -0.21400751 1.59426841
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00104198 -0.00497487 -0.06144343 0.10866021 -0.85814440
|
|
14 -0.00013710 0.00878016 -0.00154452 -0.02612459 0.00059836
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00013710 0.00878016 -0.00154452 -0.02612459 0.00059836
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00003833 0.00883204 0.00373664 -0.02655366 0.00747150
|
|
20 -0.00006398 0.07846881 0.01220948 -0.33880316 0.05920762
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00006398 0.07846881 0.01220948 -0.33880316 0.05920762
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.00079076 0.07819594 -0.01001704 -0.33651034 0.02604083
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00011638 -0.00194420 -0.02025839 0.03842178 -0.28327573
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00011638 -0.00194420 -0.02025839 0.03842178 -0.28327573
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00009601 -0.00437086 -0.04797949 0.08603173 -0.63672210
|
|
36 -1.00962339 -0.09406164 0.09218916 -0.01956312 0.13331976
|
|
37 0.00501054 0.00602503 0.25220034 -0.00071252 0.04853735
|
|
38 0.00714991 -0.08690575 -2.68159059 -0.03410309 -0.23949540
|
|
39 0.00238607 -0.01359693 2.10511760 0.27571927 0.01365427
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00036566 -0.00486001 0.05344934 -0.02836999 0.52463594
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -0.00132481 0.01262717 -0.19213385 0.11266382 -1.89675679
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00061716 -0.01755018 0.10525728 -0.04569781 1.10701422
|
|
49 -0.00071566 0.00055554 0.02422551 0.00156678 0.00011872
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00071566 0.00055554 0.02422551 0.00156678 0.00011872
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.00069498 0.00176523 0.02473030 -0.00453146 0.00538145
|
|
55 -0.00081552 0.01166735 0.28453248 -0.01439092 0.04386957
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00081552 0.01166735 0.28453248 -0.01439092 0.04386957
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.00091054 0.00764434 0.28163491 0.01194831 0.01772624
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00023649 -0.00306979 0.03474569 -0.01762255 0.33954415
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00023649 -0.00306979 0.03474569 -0.01762255 0.33954415
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00054079 -0.00635856 0.07787351 -0.04267056 0.76198965
|
|
6 7 8 9 10
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.07064628
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.10318346
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.71202066
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.61686367
|
|
5 0.12361664 0.24378673 -0.05289492 0.74354782 0.00000000
|
|
6 -0.24378673 0.12361664 0.74354782 0.05289492 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.60246776
|
|
8 -0.45047296 -0.88838631 0.19264141 -2.70797444 0.00000000
|
|
9 0.88838631 -0.45047296 -2.70797444 -0.19264141 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -2.19145348
|
|
11 0.22380520 0.44137051 -0.10416217 1.46421525 0.00000000
|
|
12 -0.44137051 0.22380520 1.46421525 0.10416217 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 1.31204001
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00077440
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00090397 -0.00178273 -0.00005124 0.00072035 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00077440
|
|
18 0.00178273 -0.00090397 0.00072035 0.00005124 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.01001475
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.08657054
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00397755 0.00784419 0.00022911 -0.00322064 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 0.08657054
|
|
24 -0.00784419 0.00397755 -0.00322064 -0.00022911 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.04076309
|
|
26 0.18088024 0.35671737 -0.07712281 1.08412095 0.00000000
|
|
27 -0.15952886 0.08089210 0.48483363 0.03449037 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.39167967
|
|
29 0.08089210 0.15952886 -0.03449037 0.48483363 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.08126797 0.16027011 -0.03447010 0.48454876 0.00000000
|
|
32 -0.35671737 0.18088024 1.08412095 0.07712281 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 0.39167967
|
|
34 -0.16027011 0.08126797 0.48454876 0.03447010 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.87268192
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.11813760
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.11534061
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.77311976
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.62185042
|
|
40 0.31577773 0.62275128 0.01492677 -0.20982664 0.00000000
|
|
41 -0.62275128 0.31577773 -0.20982664 -0.01492677 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.42885504
|
|
43 -1.14017610 -2.24856302 -0.05371493 0.75507467 0.00000000
|
|
44 2.24856302 -1.14017610 0.75507467 0.05371493 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -1.53888569
|
|
46 0.64083638 1.26380564 0.03403656 -0.47845444 0.00000000
|
|
47 -1.26380564 0.64083638 -0.47845444 -0.03403656 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 1.03010702
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00039352
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00031694 0.00062505 -0.00016219 0.00227987 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00039352
|
|
53 -0.00062505 0.00031694 0.00227987 0.00016219 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.01248145
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.10248649
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00143124 -0.00282258 0.00074390 -0.01045699 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.10248649
|
|
59 0.00282258 -0.00143124 -0.01045699 -0.00074390 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.04056853
|
|
61 0.45972593 0.90663428 0.02161191 -0.30380024 0.00000000
|
|
62 -0.40545918 0.20559569 -0.13586360 -0.00966514 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.27814487
|
|
64 0.20559569 0.40545918 0.00966514 -0.13586360 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.20573204 0.40572809 0.00959873 -0.13493010 0.00000000
|
|
67 -0.90663428 0.45972593 -0.30380024 -0.02161191 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 0.27814487
|
|
69 -0.40572809 0.20573204 -0.13493010 -0.00959873 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.61754463
|
|
11 12 13 14 15
|
|
1 -1.03542338 -2.81220947 0.00000000 0.00000000 -0.21148870
|
|
2 -0.39821610 -1.22887089 0.00000000 0.00000000 -0.08166610
|
|
3 2.22443761 6.34931354 0.00000000 0.00000000 0.42265491
|
|
4 -0.05962571 -0.65884462 0.00000000 0.00000000 0.06276406
|
|
5 0.00000000 0.00000000 -0.38996944 0.65108162 0.00000000
|
|
6 0.00000000 0.00000000 0.65108162 0.38996944 0.00000000
|
|
7 0.01786205 0.00517643 0.00000000 0.00000000 -0.93804580
|
|
8 0.00000000 0.00000000 1.46935563 -2.45319334 0.00000000
|
|
9 0.00000000 0.00000000 -2.45319334 -1.46935563 0.00000000
|
|
10 -0.07680796 -0.01691128 0.00000000 0.00000000 3.56171443
|
|
11 0.00000000 0.00000000 -0.25078398 0.41870163 0.00000000
|
|
12 0.00000000 0.00000000 0.41870163 0.25078398 0.00000000
|
|
13 -0.00750387 -0.04742653 0.00000000 0.00000000 -0.53396307
|
|
14 -0.01783918 -0.06003374 0.00000000 0.00000000 -0.02673077
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00705183 -0.01177353 0.00000000
|
|
17 -0.01783918 -0.06003374 0.00000000 0.00000000 -0.02673077
|
|
18 0.00000000 0.00000000 -0.01177353 -0.00705183 0.00000000
|
|
19 -0.03323580 -0.05657634 0.00000000 0.00000000 0.03785289
|
|
20 -0.36737508 -0.93887780 0.00000000 0.00000000 0.07514691
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.04404554 0.07353715 0.00000000
|
|
23 -0.36737508 -0.93887780 0.00000000 0.00000000 0.07514691
|
|
24 0.00000000 0.00000000 0.07353715 0.04404554 0.00000000
|
|
25 -0.28981084 -0.95631706 0.00000000 0.00000000 -0.33969627
|
|
26 0.00000000 0.00000000 -0.57695375 0.96326517 0.00000000
|
|
27 0.00000000 0.00000000 0.43078528 0.25802156 0.00000000
|
|
28 0.00943500 0.00513655 0.00000000 0.00000000 -0.61650185
|
|
29 0.00000000 0.00000000 -0.25802156 0.43078528 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.25903263 0.43247333 0.00000000
|
|
32 0.00000000 0.00000000 0.96326517 0.57695375 0.00000000
|
|
33 0.00943500 0.00513655 0.00000000 0.00000000 -0.61650185
|
|
34 0.00000000 0.00000000 0.43247333 0.25903263 0.00000000
|
|
35 0.02808755 0.00926116 0.00000000 0.00000000 -1.38796783
|
|
36 -2.73933551 0.96170759 0.00000000 0.00000000 -0.11603442
|
|
37 -1.22626989 0.48426282 0.00000000 0.00000000 -0.11959910
|
|
38 6.40401493 -2.33907846 0.00000000 0.00000000 0.39767916
|
|
39 -0.67558196 0.40269033 0.00000000 0.00000000 -0.08884599
|
|
40 0.00000000 0.00000000 -1.07915706 1.80172919 0.00000000
|
|
41 0.00000000 0.00000000 1.80172919 1.07915706 0.00000000
|
|
42 -0.02068788 -0.03270546 0.00000000 0.00000000 1.76765935
|
|
43 0.00000000 0.00000000 4.09638024 -6.83919708 0.00000000
|
|
44 0.00000000 0.00000000 -6.83919708 -4.09638024 0.00000000
|
|
45 0.08352269 0.13335977 0.00000000 0.00000000 -6.72733524
|
|
46 0.00000000 0.00000000 -0.77506762 1.29403031 0.00000000
|
|
47 0.00000000 0.00000000 1.29403031 0.77506762 0.00000000
|
|
48 0.02745195 -0.04916414 0.00000000 0.00000000 1.25876092
|
|
49 -0.05544764 0.02389158 0.00000000 0.00000000 -0.01000333
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00276887 0.00462283 0.00000000
|
|
52 -0.05544764 0.02389158 0.00000000 0.00000000 -0.01000333
|
|
53 0.00000000 0.00000000 0.00462283 0.00276887 0.00000000
|
|
54 -0.06238346 0.00795083 0.00000000 0.00000000 0.01778495
|
|
55 -0.93028575 0.29568506 0.00000000 0.00000000 0.01889330
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.01797047 -0.03000298 0.00000000
|
|
58 -0.93028575 0.29568506 0.00000000 0.00000000 0.01889330
|
|
59 0.00000000 0.00000000 -0.03000298 -0.01797047 0.00000000
|
|
60 -0.89407324 0.38022281 0.00000000 0.00000000 -0.16554024
|
|
61 0.00000000 0.00000000 -1.59522086 2.66333427 0.00000000
|
|
62 0.00000000 0.00000000 1.19107929 0.71340446 0.00000000
|
|
63 -0.01342277 -0.01850042 0.00000000 0.00000000 1.16593103
|
|
64 0.00000000 0.00000000 -0.71340446 1.19107929 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.71375062 1.19165724 0.00000000
|
|
67 0.00000000 0.00000000 2.66333427 1.59522086 0.00000000
|
|
68 -0.01342277 -0.01850042 0.00000000 0.00000000 1.16593103
|
|
69 0.00000000 0.00000000 1.19165724 0.71375062 0.00000000
|
|
70 -0.03268916 -0.04862222 0.00000000 0.00000000 2.61093961
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 0.11142736 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.14981961 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.11652244 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -0.22976187 0.00000000 0.00000000
|
|
5 0.32504019 -2.10319253 0.00000000 0.00000000 0.00000000
|
|
6 -2.10319253 -0.32504019 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -1.71381700 0.00000000 0.00000000
|
|
8 -1.22824189 7.94741460 0.00000000 0.00000000 0.00000000
|
|
9 7.94741460 1.22824189 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 6.45845736 0.00000000 0.00000000
|
|
11 0.22906853 -1.48220200 0.00000000 0.00000000 0.00000000
|
|
12 -1.48220200 -0.22906853 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -1.28009778 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.02917273 0.00150697 0.00000252
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000291 0.00174010
|
|
16 0.00104415 -0.00675623 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.02917273 -0.00150697 -0.00000252
|
|
18 -0.00675623 -0.00104415 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.03226514 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.12317375 -0.01052381 -0.00001758
|
|
21 0.00000000 0.00000000 0.00000000 0.00002029 -0.01215185
|
|
22 -0.00677781 0.04385621 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.12317375 0.01052381 0.00001758
|
|
24 0.04385621 0.00677781 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.28833404 0.00000000 0.00000000
|
|
26 0.47978751 -3.10449455 0.00000000 0.00000000 0.00000000
|
|
27 -1.38837217 -0.21456750 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -1.13362504 -0.00001721 -0.00000003
|
|
29 0.21456750 -1.38837217 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000003 -0.00001987
|
|
31 0.21444749 -1.38759565 0.00000000 0.00000000 0.00000000
|
|
32 -3.10449455 -0.47978751 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -1.13362504 0.00001721 0.00000003
|
|
34 -1.38759565 -0.21444749 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -2.52804035 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 -0.16792442 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.06683740 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.08810558 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.20892274 0.00000000 0.00000000
|
|
40 -0.12026381 0.77817437 0.00000000 0.00000000 0.00000000
|
|
41 0.77817437 0.12026381 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -1.09414189 0.00000000 0.00000000
|
|
43 0.45793601 -2.96310308 0.00000000 0.00000000 0.00000000
|
|
44 -2.96310308 -0.45793601 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 4.13437231 0.00000000 0.00000000
|
|
46 -0.09304592 0.60205937 0.00000000 0.00000000 0.00000000
|
|
47 0.60205937 0.09304592 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.91616787 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 -0.04786711 0.12724620 0.00021251
|
|
50 0.00000000 0.00000000 0.00000000 -0.00024538 0.14693126
|
|
51 0.00354181 -0.02291750 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.04786711 -0.12724620 -0.00021251
|
|
53 -0.02291750 -0.00354181 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.07135460 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.23889724 -0.93418639 -0.00156013
|
|
56 0.00000000 0.00000000 0.00000000 0.00180148 -1.07870553
|
|
57 -0.02390338 0.15466831 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.23889724 0.93418639 0.00156013
|
|
59 0.15466831 0.02390338 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.58426463 0.00000000 0.00000000
|
|
61 -0.17738545 1.14778346 0.00000000 0.00000000 0.00000000
|
|
62 0.51330437 0.07932919 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.72560373 -0.00001745 -0.00000003
|
|
64 -0.07932919 0.51330437 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000003 -0.00002015
|
|
66 -0.07900995 0.51123875 0.00000000 0.00000000 0.00000000
|
|
67 1.14778346 0.17738545 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.72560373 0.00001745 0.00000003
|
|
69 0.51123875 0.07900995 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -1.61222076 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 -0.12916514 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.12157052 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.10456982 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.01730123 0.00000000 0.00000000
|
|
5 -0.30153681 0.12728024 0.00000000 0.00000000 0.00000000
|
|
6 -0.12728024 -0.30153681 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -0.71042373 0.00000000 0.00000000
|
|
8 1.15259797 -0.48651753 0.00000000 0.00000000 0.00000000
|
|
9 0.48651753 1.15259797 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 2.71834066 0.00000000 0.00000000
|
|
11 -0.23994090 0.10128029 0.00000000 0.00000000 0.00000000
|
|
12 -0.10128029 -0.23994090 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.57056650 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.04189747 0.13010320 -0.00009105
|
|
15 0.00000000 0.00000000 0.00000000 0.00010513 0.15023023
|
|
16 -0.02688323 0.01134755 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.04189747 -0.13010320 0.00009105
|
|
18 -0.01134755 -0.02688323 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.11291568 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.40760891 -0.93557700 0.00065472
|
|
21 0.00000000 0.00000000 0.00000000 -0.00075601 -1.08031126
|
|
22 0.18814747 -0.07941802 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.40760891 0.93557700 -0.00065472
|
|
24 0.07941802 0.18814747 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.68890987 0.00000000 0.00000000
|
|
26 -0.44107337 0.18617934 0.00000000 0.00000000 0.00000000
|
|
27 -0.08326193 -0.19725401 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -0.46475343 0.00001644 -0.00000001
|
|
29 -0.19725401 0.08326193 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000001 0.00001899
|
|
31 -0.19692410 0.08312267 0.00000000 0.00000000 0.00000000
|
|
32 -0.18617934 -0.44107337 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -0.46475343 -0.00001644 0.00000001
|
|
34 -0.08312267 -0.19692410 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -1.03897454 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 -0.17961595 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.13102903 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.13894499 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.09298324 0.00000000 0.00000000
|
|
40 0.00682204 -0.00287962 0.00000000 0.00000000 0.00000000
|
|
41 0.00287962 0.00682204 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.25011382 0.00000000 0.00000000
|
|
43 -0.02521945 0.01064526 0.00000000 0.00000000 0.00000000
|
|
44 -0.01064526 -0.02521945 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -0.98459911 0.00000000 0.00000000
|
|
46 0.00638938 -0.00269699 0.00000000 0.00000000 0.00000000
|
|
47 0.00269699 0.00638938 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.20047147 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.03574326 -0.00139112 0.00000097
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000112 -0.00160632
|
|
51 0.13129401 -0.05541988 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.03574326 0.00139112 -0.00000097
|
|
53 0.05541988 0.13129401 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.10730975 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.40926657 0.01053621 -0.00000737
|
|
56 0.00000000 0.00000000 0.00000000 0.00000851 0.01216617
|
|
57 -0.96538313 0.40749318 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.40926657 -0.01053621 0.00000737
|
|
59 -0.40749318 -0.96538313 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.64595847 0.00000000 0.00000000
|
|
61 0.01034324 -0.00436594 0.00000000 0.00000000 0.00000000
|
|
62 0.00195251 0.00462564 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.16114286 0.00001828 -0.00000001
|
|
64 0.00462564 -0.00195251 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000001 0.00002110
|
|
66 0.00429185 -0.00181161 0.00000000 0.00000000 0.00000000
|
|
67 0.00436594 0.01034324 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.16114286 -0.00001828 0.00000001
|
|
69 0.00181161 0.00429185 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.36389733 0.00000000 0.00000000
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 -0.11186225 -0.57730819 -1.65330721
|
|
2 0.00000000 0.00000000 0.05699723 0.16487846 0.21299964
|
|
3 0.00000000 0.00000000 0.36265545 1.83740712 5.69900481
|
|
4 0.00000000 0.00000000 -0.27044975 -0.06514348 -0.51195122
|
|
5 0.08937895 -0.00472519 0.00000000 0.00000000 0.00000000
|
|
6 0.00472519 0.08937895 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -1.06049724 -0.10225602 0.04508855
|
|
8 -0.34223881 0.01809312 0.00000000 0.00000000 0.00000000
|
|
9 -0.01809312 -0.34223881 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 4.07698883 0.37125772 -0.16827149
|
|
11 0.07401125 -0.00391275 0.00000000 0.00000000 0.00000000
|
|
12 0.00391275 0.07401125 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -1.01375759 -0.07075235 0.03265096
|
|
14 0.00000000 0.00000000 -0.05187734 -0.04437579 -0.11411966
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.14630161 0.00773452 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.05187734 -0.04437579 -0.11411966
|
|
18 -0.00773452 -0.14630161 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.07832238 -0.03774333 -0.11612392
|
|
20 0.00000000 0.00000000 0.27301250 -0.56203759 -1.79313233
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 1.05494139 -0.05577153 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.27301250 -0.56203759 -1.79313233
|
|
24 0.05577153 1.05494139 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.75663576 -0.68666071 -1.73872103
|
|
26 0.13065110 -0.00690712 0.00000000 0.00000000 0.00000000
|
|
27 0.00308896 0.05842895 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -0.69341019 -0.07435534 0.03294468
|
|
29 0.05842895 -0.00308896 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.05806599 -0.00306977 0.00000000 0.00000000 0.00000000
|
|
32 0.00690712 0.13065110 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -0.69341019 -0.07435534 0.03294468
|
|
34 0.00306977 0.05806599 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -1.53812802 -0.14654676 0.06361591
|
|
36 0.00000000 0.00000000 0.14745133 -1.62865163 0.62761063
|
|
37 0.00000000 0.00000000 -0.07341021 0.20056892 0.00904694
|
|
38 0.00000000 0.00000000 -0.43047664 5.62626776 -2.33526949
|
|
39 0.00000000 0.00000000 0.26894392 -0.45706105 0.29221059
|
|
40 -0.20145831 0.01065049 0.00000000 0.00000000 0.00000000
|
|
41 -0.01065049 -0.20145831 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.94657654 0.02872425 0.10237906
|
|
43 0.78196792 -0.04134026 0.00000000 0.00000000 0.00000000
|
|
44 0.04134026 0.78196792 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 3.67140681 -0.09802567 -0.37379898
|
|
46 -0.17945407 0.00948719 0.00000000 0.00000000 0.00000000
|
|
47 -0.00948719 -0.17945407 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.96514370 0.01550401 0.07088058
|
|
49 0.00000000 0.00000000 0.04627517 -0.11823906 0.04246779
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.02624428 0.00138745 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.04627517 -0.11823906 0.04246779
|
|
53 -0.00138745 -0.02624428 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.05933788 -0.11660166 0.04610150
|
|
55 0.00000000 0.00000000 -0.19900489 -1.74918310 0.73979093
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.19926203 -0.01053438 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.19900489 -1.74918310 0.73979093
|
|
59 0.01053438 0.19926203 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.67974256 -1.78094864 0.62423305
|
|
61 -0.29314603 0.01549774 0.00000000 0.00000000 0.00000000
|
|
62 -0.00693080 -0.13109889 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.61894363 0.02119631 0.07517193
|
|
64 -0.13109889 0.00693080 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.13060958 0.00690493 0.00000000 0.00000000 0.00000000
|
|
67 -0.01549774 -0.29314603 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.61894363 0.02119631 0.07517193
|
|
69 -0.00690493 -0.13060958 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -1.37035031 0.04201509 0.14563392
|
|
31 32 33 34 35
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.16648342
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.03739256
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.14948234
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.11354802
|
|
5 -0.25331148 1.45866261 0.47408417 -3.78959590 0.00000000
|
|
6 1.45866261 0.25331148 -3.78959590 -0.47408417 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -1.59297259
|
|
8 0.78493709 -4.51996252 -1.47756310 11.81091332 0.00000000
|
|
9 -4.51996252 -0.78493709 11.81091332 1.47756310 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 4.87070475
|
|
11 -0.07356657 0.42362392 0.15070393 -1.20465313 0.00000000
|
|
12 0.42362392 0.07356657 -1.20465313 -0.15070393 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.36515041
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.01187077
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00045755 -0.00263473 0.00016456 -0.00131543 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.01187077
|
|
18 -0.00263473 -0.00045755 -0.00131543 -0.00016456 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00163421
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.05476900
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00227719 -0.01311294 0.00075688 -0.00605014 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.05476900
|
|
24 -0.01311294 -0.00227719 -0.00605014 -0.00075688 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.03195704
|
|
26 -0.38049378 2.19102607 0.71088784 -5.68248809 0.00000000
|
|
27 0.97985665 0.17016199 -2.54128593 -0.31791871 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -1.05417548
|
|
29 -0.17016199 0.97985665 0.31791871 -2.54128593 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.17139690 0.98696772 0.31748170 -2.53779266 0.00000000
|
|
32 2.19102607 0.38049378 -5.68248809 -0.71088784 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -1.05417548
|
|
34 0.98696772 0.17139690 -2.53779266 -0.31748170 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -2.40918654
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.07938084
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.01546777
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.20467269
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.05975019
|
|
40 -0.64912951 3.73793149 -0.19946466 1.59442249 0.00000000
|
|
41 3.73793149 0.64912951 1.59442249 0.19946466 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 3.79474002
|
|
43 2.01946051 -11.62881197 0.62372126 -4.98572125 0.00000000
|
|
44 -11.62881197 -2.01946051 -4.98572125 -0.62372126 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -11.82683046
|
|
46 -0.20263837 1.16686780 -0.06725123 0.53757327 0.00000000
|
|
47 1.16686780 0.20263837 0.53757327 0.06725123 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 1.22772623
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00371428
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00017396 0.00100174 0.00038750 -0.00309745 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00371428
|
|
53 0.00100174 0.00017396 -0.00309745 -0.00038750 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00283321
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.03273908
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00078972 0.00454751 0.00163292 -0.01305278 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.03273908
|
|
59 0.00454751 0.00078972 -0.01305278 -0.00163292 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.02157390
|
|
61 -0.97119722 5.59251828 -0.29800005 2.38206599 0.00000000
|
|
62 2.50105021 0.43433260 1.06529230 0.13326968 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 2.52728057
|
|
64 -0.43433260 2.50105021 -0.13326968 1.06529230 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.43478940 2.50368066 -0.13226865 1.05729058 0.00000000
|
|
67 5.59251828 0.97119722 2.38206599 0.29800005 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 2.52728057
|
|
69 2.50368066 0.43478940 1.05729058 0.13226865 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 5.66327172
|
|
36 37 38 39 40
|
|
1 0.07900468 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 -0.07001356 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.13569241 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 -0.22590231 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -3.98147947 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
10 12.52346209 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -1.45341683 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00892095 0.00000000 0.00000000 -0.00002692 0.00000017
|
|
15 0.00000000 0.00000000 0.00000000 0.00000019 0.00003109
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00892095 0.00000000 0.00000000 0.00002692 -0.00000017
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00697048 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.01335950 0.00000000 0.00000000 -0.00001183 0.00000007
|
|
21 0.00000000 0.00000000 0.00000000 0.00000009 0.00001367
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.01335950 0.00000000 0.00000000 0.00001183 -0.00000007
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.06920406 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000543 0.00000294 0.00000000 0.00000000
|
|
27 0.00000000 -0.00000394 0.00000728 0.00000000 0.00000000
|
|
28 -2.67090113 0.00000000 0.00000000 0.00010600 -0.00000066
|
|
29 0.00000000 -0.00000728 -0.00000394 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.00000076 -0.00012240
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000294 -0.00000543 0.00000000 0.00000000
|
|
33 -2.67090113 0.00000000 0.00000000 -0.00010600 0.00000066
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -5.92647459 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -0.16759927 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.07819438 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 -0.00678822 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.24491122 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 -2.04932567 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 6.53118428 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 -0.88659755 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 -0.01511386 0.00000000 0.00000000 -0.00002541 0.00000016
|
|
50 0.00000000 0.00000000 0.00000000 0.00000018 0.00002934
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.01511386 0.00000000 0.00000000 0.00002541 -0.00000016
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00776961 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.04448879 0.00000000 0.00000000 0.00003016 -0.00000019
|
|
56 0.00000000 0.00000000 0.00000000 -0.00000022 -0.00003482
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.04448879 0.00000000 0.00000000 -0.00003016 0.00000019
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.07011886 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.69517272 0.37647694 -0.00000000 -0.00000000
|
|
62 0.00000000 -0.50509682 0.93267208 0.00000001 -0.00000000
|
|
63 -1.38181779 -0.00000000 0.00000000 -0.86600851 0.00540889
|
|
64 0.00000000 -0.93267208 -0.50509682 0.00000000 0.00000000
|
|
65 0.00000000 -0.00000000 0.00000000 0.00624565 0.99998049
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.37647694 -0.69517272 -0.00000000 0.00000000
|
|
68 -1.38181779 0.00000000 -0.00000000 0.86600851 -0.00540889
|
|
69 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
70 -3.01779668 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.29907077 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.15264869 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.07083975 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -0.09643891 0.00000000 0.00000000
|
|
5 -0.01787774 0.03704305 0.00000000 0.00000000 0.00000000
|
|
6 0.03704305 0.01787774 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.19439223 0.00000000 0.00000000
|
|
8 0.05511527 -0.11419998 0.00000000 0.00000000 0.00000000
|
|
9 -0.11419998 -0.05511527 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.60657486 0.00000000 0.00000000
|
|
11 -0.00851952 0.01765262 0.00000000 0.00000000 0.00000000
|
|
12 0.01765262 0.00851952 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.09974280 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00916884 0.00002744 -0.00000006
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000007 -0.00003169
|
|
16 -0.00019205 0.00039793 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00916884 -0.00002744 0.00000006
|
|
18 0.00039793 0.00019205 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.01515907 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.01689457 -0.00002968 0.00000007
|
|
21 0.00000000 0.00000000 0.00000000 0.00000008 0.00003427
|
|
22 -0.00008435 0.00017478 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.01689457 0.00002968 -0.00000007
|
|
24 0.00017478 0.00008435 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.01318768 0.00000000 0.00000000
|
|
26 -0.02481336 0.05141379 0.00000000 0.00000000 0.00000000
|
|
27 0.02299294 0.01109687 0.00000000 -0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.16354892 -0.86602299 0.00204161
|
|
29 -0.01109687 0.02299294 0.00000000 0.00000000 -0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00235744 0.99999721
|
|
31 -0.01018848 0.02111074 0.00000000 0.00000000 0.00000000
|
|
32 0.05141379 0.02481336 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.16354892 0.86602299 -0.00204161
|
|
34 0.02111074 0.01018848 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.20189215 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.01588937 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.01002670 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00650806 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.02325327 0.00000000 0.00000000
|
|
40 0.00116356 -0.00241092 0.00000000 0.00000000 0.00000000
|
|
41 -0.00241092 -0.00116356 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.05389569 0.00000000 0.00000000
|
|
43 -0.00368301 0.00763128 0.00000000 0.00000000 0.00000000
|
|
44 0.00763128 0.00368301 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -0.17721222 0.00000000 0.00000000
|
|
46 0.00064647 -0.00133950 0.00000000 0.00000000 0.00000000
|
|
47 -0.00133950 -0.00064647 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.03690026 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00321383 0.00002743 -0.00000006
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000007 -0.00003167
|
|
51 -0.00006414 0.00013290 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00321383 -0.00002743 0.00000006
|
|
53 0.00013290 0.00006414 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.00409414 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.00172270 0.00001083 -0.00000003
|
|
56 0.00000000 0.00000000 0.00000000 -0.00000003 -0.00001250
|
|
57 -0.00006543 0.00013558 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.00172270 -0.00001083 0.00000003
|
|
59 0.00013558 0.00006543 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.00354237 0.00000000 0.00000000
|
|
61 -0.26455122 0.54815558 0.00000000 0.00000000 0.00000000
|
|
62 0.24514262 0.11831090 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.63500818 -0.00010606 0.00000025
|
|
64 -0.11831090 0.24514262 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000029 0.00012246
|
|
66 0.47684449 -0.98803161 0.00000000 0.00000000 0.00000000
|
|
67 0.54815558 0.26455122 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.63500818 0.00010606 -0.00000025
|
|
69 -0.98803161 -0.47684449 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 1.07363326 0.00000000 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.02369180
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.01001003
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.01637630
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.01040635
|
|
5 0.00000000 0.00000000 -0.00273193 0.00028756 0.00000000
|
|
6 0.00000000 0.00000000 -0.00028756 -0.00273193 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.07856488
|
|
8 0.00000000 0.00000000 0.00864085 -0.00090952 0.00000000
|
|
9 0.00000000 0.00000000 0.00090952 0.00864085 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.25402659
|
|
11 0.00000000 0.00000000 -0.00149413 0.00015727 0.00000000
|
|
12 0.00000000 0.00000000 -0.00015727 -0.00149413 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.04931849
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00192094
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00013412 0.00001412 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00192094
|
|
18 0.00000000 0.00000000 -0.00001412 -0.00013412 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00592652
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.00377488
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.00014328 0.00001508 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.00377488
|
|
24 0.00000000 0.00000000 -0.00001508 -0.00014328 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00192988
|
|
26 0.74204631 -0.27270362 0.60520907 -0.06370343 0.00000000
|
|
27 0.36587030 0.99555960 0.02848904 0.27065772 0.00000000
|
|
28 -0.00000000 -0.00000000 0.00000000 0.00000000 -0.61983292
|
|
29 -0.99555960 0.36587030 0.27065772 -0.02848904 0.00000000
|
|
30 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 -0.00000000 -1.09110252 0.11484787 0.00000000
|
|
32 -0.27270362 -0.74204631 0.06370343 0.60520907 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -0.61983292
|
|
34 -0.00000000 -0.00000000 -0.11484787 -1.09110252 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 1.10760649
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.30526089
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.15419903
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.07834952
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.09553226
|
|
40 -0.00000000 0.00000000 0.03924065 -0.00413041 0.00000000
|
|
41 0.00000000 0.00000000 0.00413041 0.03924065 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.19523367
|
|
43 0.00000000 -0.00000000 -0.12052882 0.01268669 0.00000000
|
|
44 -0.00000000 -0.00000000 -0.01268669 -0.12052882 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.60852911
|
|
46 0.00000000 0.00000000 0.01889207 -0.00198855 0.00000000
|
|
47 0.00000000 0.00000000 0.00198855 0.01889207 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.10238288
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00868967
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00045617 0.00004802 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00868967
|
|
53 0.00000000 0.00000000 -0.00004802 -0.00045617 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.01596950
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.01587006
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.00017401 0.00001832 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.01587006
|
|
59 0.00000000 0.00000000 -0.00001832 -0.00017401 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.01179054
|
|
61 -0.00000579 0.00000213 0.05218735 -0.00549317 0.00000000
|
|
62 -0.00000286 -0.00000777 0.00245662 0.02333889 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.07567246
|
|
64 0.00000777 -0.00000286 0.02333889 -0.00245662 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.02541156 -0.00267478 0.00000000
|
|
67 0.00000213 0.00000579 0.00549317 0.05218735 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 0.07567246
|
|
69 0.00000000 0.00000000 0.00267478 0.02541156 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.33191595
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.73414378
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.30172520
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.34743990
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.20676856
|
|
5 0.00000000 0.00000000 0.03906153 0.00588728 0.00000000
|
|
6 0.00000000 0.00000000 0.00588728 -0.03906153 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.15138087
|
|
8 0.00000000 0.00000000 -0.09217206 -0.01389200 0.00000000
|
|
9 0.00000000 0.00000000 -0.01389200 0.09217206 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.38456188
|
|
11 0.00000000 0.00000000 0.02276023 0.00343038 0.00000000
|
|
12 0.00000000 0.00000000 0.00343038 -0.02276023 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.09471915
|
|
14 0.00007232 0.00684409 0.00000000 0.00000000 0.28284863
|
|
15 -0.00790288 0.00008351 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.13051788 0.01967140 0.00000000
|
|
17 -0.00007232 -0.00684409 0.00000000 0.00000000 0.28284863
|
|
18 0.00000000 0.00000000 0.01967140 -0.13051788 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.60734588
|
|
20 -0.00003427 -0.00324293 0.00000000 0.00000000 -0.15220274
|
|
21 0.00374462 -0.00003957 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.06183739 -0.00932001 0.00000000
|
|
23 0.00003427 0.00324293 0.00000000 0.00000000 -0.15220274
|
|
24 0.00000000 0.00000000 -0.00932001 0.06183739 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.26986099
|
|
26 0.00000000 0.00000000 0.03176663 0.00478781 0.00000000
|
|
27 0.00000000 0.00000000 0.00214117 -0.01420647 0.00000000
|
|
28 0.00000031 0.00002909 0.00000000 0.00000000 -0.06139258
|
|
29 0.00000000 0.00000000 0.01420647 0.00214117 0.00000000
|
|
30 -0.00003359 0.00000035 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.01483915 0.00223653 0.00000000
|
|
32 0.00000000 0.00000000 0.00478781 -0.03176663 0.00000000
|
|
33 -0.00000031 -0.00002909 0.00000000 0.00000000 -0.06139258
|
|
34 0.00000000 0.00000000 0.00223653 -0.01483915 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.14160130
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.41043685
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.17363454
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.16935444
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.14481997
|
|
40 0.00000000 0.00000000 0.00195911 0.00029527 0.00000000
|
|
41 0.00000000 0.00000000 0.00029527 -0.00195911 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.02537109
|
|
43 0.00000000 0.00000000 -0.00415875 -0.00062680 0.00000000
|
|
44 0.00000000 0.00000000 -0.00062680 0.00415875 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.04912148
|
|
46 0.00000000 0.00000000 0.00097227 0.00014654 0.00000000
|
|
47 0.00000000 0.00000000 0.00014654 -0.00097227 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00881882
|
|
49 0.01119796 1.05976733 0.00000000 0.00000000 0.52651610
|
|
50 -1.22371390 0.01293029 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -1.20296048 -0.18130789 0.00000000
|
|
52 -0.01119796 -1.05976733 0.00000000 0.00000000 0.52651610
|
|
53 0.00000000 0.00000000 -0.18130789 1.20296048 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -1.07508182
|
|
55 -0.00545595 -0.51634685 0.00000000 0.00000000 -0.26608206
|
|
56 0.59622599 -0.00629998 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.58616705 0.08834597 0.00000000
|
|
58 0.00545595 0.51634685 0.00000000 0.00000000 -0.26608206
|
|
59 0.00000000 0.00000000 0.08834597 -0.58616705 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.51693000
|
|
61 0.00000000 0.00000000 0.00140761 0.00021215 0.00000000
|
|
62 0.00000000 0.00000000 0.00009488 -0.00062950 0.00000000
|
|
63 -0.00000020 -0.00001883 0.00000000 0.00000000 0.00798490
|
|
64 0.00000000 0.00000000 0.00062950 0.00009488 0.00000000
|
|
65 0.00002174 -0.00000023 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00054198 0.00008169 0.00000000
|
|
67 0.00000000 0.00000000 0.00021215 -0.00140761 0.00000000
|
|
68 0.00000020 0.00001883 0.00000000 0.00000000 0.00798490
|
|
69 0.00000000 0.00000000 0.00008169 -0.00054198 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.01372756
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.43792485
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.16537530
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.26226807
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.06810765
|
|
5 0.00000000 0.00000000 0.00640931 0.00025688 0.00000000
|
|
6 0.00000000 0.00000000 0.00025688 -0.00640931 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.18649971
|
|
8 0.00000000 0.00000000 -0.01511752 -0.00060590 0.00000000
|
|
9 0.00000000 0.00000000 -0.00060590 0.01511752 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.48543624
|
|
11 0.00000000 0.00000000 0.00392236 0.00015721 0.00000000
|
|
12 0.00000000 0.00000000 0.00015721 -0.00392236 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.13056684
|
|
14 0.00847078 -1.05944587 0.00000000 0.00000000 0.54236079
|
|
15 1.22334272 0.00978122 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -1.21526770 -0.04870693 0.00000000
|
|
17 -0.00847078 1.05944587 0.00000000 0.00000000 0.54236079
|
|
18 0.00000000 0.00000000 -0.04870693 1.21526770 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -1.06199501
|
|
20 -0.00410839 0.51383888 0.00000000 0.00000000 -0.25402097
|
|
21 -0.59333003 -0.00474396 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.58977898 0.02363786 0.00000000
|
|
23 0.00410839 -0.51383888 0.00000000 0.00000000 -0.25402097
|
|
24 0.00000000 0.00000000 0.02363786 -0.58977898 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.54397891
|
|
26 0.00000000 0.00000000 0.00507443 0.00020338 0.00000000
|
|
27 0.00000000 0.00000000 0.00009095 -0.00226935 0.00000000
|
|
28 0.00000016 -0.00002025 0.00000000 0.00000000 0.07484655
|
|
29 0.00000000 0.00000000 0.00226935 0.00009095 0.00000000
|
|
30 0.00002338 0.00000019 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00248226 0.00009949 0.00000000
|
|
32 0.00000000 0.00000000 0.00020338 -0.00507443 0.00000000
|
|
33 -0.00000016 0.00002025 0.00000000 0.00000000 0.07484655
|
|
34 0.00000000 0.00000000 0.00009949 -0.00248226 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.18106617
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.79015760
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.30709650
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.42828360
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.17493998
|
|
40 0.00000000 0.00000000 -0.03808436 -0.00152639 0.00000000
|
|
41 0.00000000 0.00000000 -0.00152639 0.03808436 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.23046542
|
|
43 0.00000000 0.00000000 0.08561906 0.00343154 0.00000000
|
|
44 0.00000000 0.00000000 0.00343154 -0.08561906 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.57891708
|
|
46 0.00000000 0.00000000 -0.02249674 -0.00090165 0.00000000
|
|
47 0.00000000 0.00000000 -0.00090165 0.02249674 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.15752039
|
|
49 -0.00005512 0.00689390 0.00000000 0.00000000 -0.31178794
|
|
50 -0.00796039 -0.00006365 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.13287218 -0.00532541 0.00000000
|
|
52 0.00005512 -0.00689390 0.00000000 0.00000000 -0.31178794
|
|
53 0.00000000 0.00000000 -0.00532541 0.13287218 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.58532671
|
|
55 0.00002746 -0.00343473 0.00000000 0.00000000 0.13397387
|
|
56 0.00396608 0.00003171 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.06624569 0.00265507 0.00000000
|
|
58 -0.00002746 0.00343473 0.00000000 0.00000000 0.13397387
|
|
59 0.00000000 0.00000000 0.00265507 -0.06624569 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.32503802
|
|
61 0.00000000 0.00000000 -0.02791914 -0.00111898 0.00000000
|
|
62 0.00000000 0.00000000 -0.00050042 0.01248582 0.00000000
|
|
63 -0.00000023 0.00002856 0.00000000 0.00000000 0.08741392
|
|
64 0.00000000 0.00000000 -0.01248582 -0.00050042 0.00000000
|
|
65 -0.00003298 -0.00000026 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.01314237 -0.00052674 0.00000000
|
|
67 0.00000000 0.00000000 -0.00111898 0.02791914 0.00000000
|
|
68 0.00000023 -0.00002856 0.00000000 0.00000000 0.08741392
|
|
69 0.00000000 0.00000000 -0.00052674 0.01314237 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.20931070
|
|
61 62 63 64 65
|
|
1 -4.57969903 0.00000000 -0.00000000 13.73219813 -3.11124001
|
|
2 1.10138512 0.00000000 0.00000000 -3.06250515 0.64744969
|
|
3 2.91521810 0.00000000 0.00000000 -9.11929766 2.08664938
|
|
4 1.26643757 0.00000000 0.00000000 -3.62195931 0.75505501
|
|
5 0.00000000 0.04456108 -0.26560879 0.00000000 0.00000000
|
|
6 0.00000000 -0.26560879 -0.04456108 0.00000000 0.00000000
|
|
7 -0.09043003 0.00000000 0.00000000 -0.07474443 0.04649096
|
|
8 0.00000000 -0.31637585 1.88577595 0.00000000 0.00000000
|
|
9 0.00000000 1.88577595 0.31637585 0.00000000 0.00000000
|
|
10 0.51159020 0.00000000 0.00000000 0.38623813 -0.60414913
|
|
11 0.00000000 0.02058516 -0.12269899 0.00000000 0.00000000
|
|
12 0.00000000 -0.12269899 -0.02058516 0.00000000 0.00000000
|
|
13 -0.04980439 0.00000000 0.00000000 -0.05212677 -0.04173847
|
|
14 0.14673589 0.00000000 0.00000000 -0.56917809 0.11776045
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00227904 -0.01358435 0.00000000 0.00000000
|
|
17 0.14673589 0.00000000 0.00000000 -0.56917809 0.11776045
|
|
18 0.00000000 -0.01358435 -0.00227904 0.00000000 0.00000000
|
|
19 0.20754561 0.00000000 0.00000000 -0.52386069 0.20868963
|
|
20 -0.25653855 0.00000000 0.00000000 0.91859104 -0.17422128
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 -0.00190276 0.01134154 0.00000000 0.00000000
|
|
23 -0.25653855 0.00000000 0.00000000 0.91859104 -0.17422128
|
|
24 0.00000000 0.01134154 0.00190276 0.00000000 0.00000000
|
|
25 -0.30533062 0.00000000 0.00000000 0.88041242 -0.25574786
|
|
26 0.00000000 0.18045417 -1.07560716 0.00000000 0.00000000
|
|
27 0.00000000 -0.48102614 -0.08070156 0.00000000 0.00000000
|
|
28 -0.11505190 0.00000000 0.00000000 -0.08402390 0.18320731
|
|
29 0.00000000 0.08070156 -0.48102614 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.08011708 -0.47754230 0.00000000 0.00000000
|
|
32 0.00000000 -1.07560716 -0.18045417 0.00000000 0.00000000
|
|
33 -0.11505190 0.00000000 0.00000000 -0.08402390 0.18320731
|
|
34 0.00000000 -0.47754230 -0.08011708 0.00000000 0.00000000
|
|
35 -0.27935739 0.00000000 0.00000000 -0.20313837 0.38246422
|
|
36 -14.18028758 0.00000000 0.00000000 -4.22339854 0.76915554
|
|
37 3.20646275 0.00000000 0.00000000 0.87856040 -0.14319243
|
|
38 9.37069435 0.00000000 0.00000000 2.89918067 -0.60805420
|
|
39 3.75729495 0.00000000 0.00000000 1.07273172 -0.12799676
|
|
40 0.00000000 0.22088740 -1.31661171 0.00000000 0.00000000
|
|
41 0.00000000 -1.31661171 -0.22088740 0.00000000 0.00000000
|
|
42 0.02742081 0.00000000 0.00000000 -0.37944687 -1.44903340
|
|
43 0.00000000 -1.46124848 8.70985318 0.00000000 0.00000000
|
|
44 0.00000000 8.70985318 1.46124848 0.00000000 0.00000000
|
|
45 -0.16197047 0.00000000 0.00000000 2.32555684 9.19414841
|
|
46 0.00000000 0.10778310 -0.64244720 0.00000000 0.00000000
|
|
47 0.00000000 -0.64244720 -0.10778310 0.00000000 0.00000000
|
|
48 0.01505372 0.00000000 0.00000000 -0.19780689 -0.73096437
|
|
49 0.55952185 0.00000000 0.00000000 0.20889623 -0.02832768
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.00039349 0.00234543 0.00000000 0.00000000
|
|
52 0.55952185 0.00000000 0.00000000 0.20889623 -0.02832768
|
|
53 0.00000000 0.00234543 0.00039349 0.00000000 0.00000000
|
|
54 0.57186100 0.00000000 0.00000000 0.14134751 -0.03890451
|
|
55 -0.92358912 0.00000000 0.00000000 -0.32120788 0.06153475
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00033399 -0.00199077 0.00000000 0.00000000
|
|
58 -0.92358912 0.00000000 0.00000000 -0.32120788 0.06153475
|
|
59 0.00000000 -0.00199077 -0.00033399 0.00000000 0.00000000
|
|
60 -0.93372146 0.00000000 0.00000000 -0.26532537 0.07114167
|
|
61 0.00000000 0.81964259 -4.88552542 0.00000000 0.00000000
|
|
62 0.00000000 -2.18487339 -0.36655531 0.00000000 0.00000000
|
|
63 0.03775325 0.00000000 0.00000000 -0.56348639 -2.28384716
|
|
64 0.00000000 0.36655531 -2.18487339 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.36644640 -2.18422421 0.00000000 0.00000000
|
|
67 0.00000000 -4.88552542 -0.81964259 0.00000000 0.00000000
|
|
68 0.03775325 0.00000000 0.00000000 -0.56348639 -2.28384716
|
|
69 0.00000000 -2.18422421 -0.36644640 0.00000000 0.00000000
|
|
70 0.08903125 0.00000000 0.00000000 -1.28423526 -5.10538054
|
|
66 67 68 69 70
|
|
1 0.00000000 0.00000000 -0.54955679 52.77936159 55.70104990
|
|
2 0.00000000 0.00000000 0.09654108 -25.64980361 -26.90729101
|
|
3 0.00000000 0.00000000 0.44835358 -30.96766592 -33.03505905
|
|
4 0.00000000 0.00000000 0.06517189 -14.91713972 -15.54076018
|
|
5 0.10287629 -1.33145773 0.00000000 0.00000000 0.00000000
|
|
6 -1.33145773 -0.10287629 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -1.49565717 0.02186886 0.00348678
|
|
8 -0.68115919 8.81577964 0.00000000 0.00000000 0.00000000
|
|
9 8.81577964 0.68115919 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 9.47833247 -0.07058103 -0.02435244
|
|
11 0.05079198 -0.65736607 0.00000000 0.00000000 0.00000000
|
|
12 -0.65736607 -0.05079198 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.77277793 0.02702176 0.00144815
|
|
14 0.00000000 0.00000000 0.01101380 3.43896669 3.58687902
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00030274 0.00391819 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.01101380 3.43896669 3.58687902
|
|
18 0.00391819 0.00030274 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.05198118 3.40693829 3.61743382
|
|
20 0.00000000 0.00000000 -0.03295286 3.14165236 3.42513577
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00025410 -0.00328867 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.03295286 3.14165236 3.42513577
|
|
24 -0.00328867 -0.00025410 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.06910028 3.19116963 3.37916714
|
|
26 0.38165607 -4.93951469 0.00000000 0.00000000 0.00000000
|
|
27 -2.20901813 -0.17068178 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -2.34667629 0.00261228 0.01585867
|
|
29 0.17068178 -2.20901813 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.17075747 -2.20999769 0.00000000 0.00000000 0.00000000
|
|
32 -4.93951469 -0.38165607 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -2.34667629 0.00261228 0.01585867
|
|
34 -2.20999769 -0.17075747 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -5.25586255 0.02842479 0.01261039
|
|
36 0.00000000 0.00000000 0.63289420 55.05400635 -53.45037711
|
|
37 0.00000000 0.00000000 -0.08919555 -26.74907162 25.81433207
|
|
38 0.00000000 0.00000000 -0.46094104 -32.31780523 31.71487533
|
|
39 0.00000000 0.00000000 -0.08676865 -15.55144623 14.90470182
|
|
40 -0.02705099 0.35010260 0.00000000 0.00000000 0.00000000
|
|
41 0.35010260 0.02705099 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.25853424 -0.02195913 0.00254391
|
|
43 0.16916475 -2.18938421 0.00000000 0.00000000 0.00000000
|
|
44 -2.18938421 -0.16916475 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 1.32412383 0.07143509 -0.02124105
|
|
46 -0.01387404 0.17956223 0.00000000 0.00000000 0.00000000
|
|
47 0.17956223 0.01387404 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.19833489 -0.02703011 0.00030885
|
|
49 0.00000000 0.00000000 -0.01583710 3.58558538 -3.44050385
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00103350 0.01337586 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.01583710 3.58558538 -3.44050385
|
|
53 0.01337586 0.00103350 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.11298751 3.55490121 -3.47232827
|
|
55 0.00000000 0.00000000 0.01161917 3.28199708 -3.29139749
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00087966 -0.01138487 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.01161917 3.28199708 -3.29139749
|
|
59 -0.01138487 -0.00087966 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.09998885 3.32952524 -3.24342831
|
|
61 -0.09341318 1.20898324 0.00000000 0.00000000 0.00000000
|
|
62 0.54067374 0.04177565 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.29401091 -0.00325838 0.01569850
|
|
64 -0.04177565 0.54067374 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.04204821 0.54420139 0.00000000 0.00000000 0.00000000
|
|
67 1.20898324 0.09341318 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.29401091 -0.00325838 0.01569850
|
|
69 0.54420139 0.04204821 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -0.68676397 -0.02888599 0.01133914
|
|
|
|
-----------------------------------------
|
|
UHF spin-down orbital coefficients
|
|
-----------------------------------------
|
|
1 2 3 4 5
|
|
1 -1.00962339 -0.09406164 -0.09218916 0.01956312 -0.13331976
|
|
2 0.00501054 0.00602503 -0.25220034 0.00071252 -0.04853735
|
|
3 0.00714991 -0.08690575 2.68159059 0.03410309 0.23949540
|
|
4 0.00238607 -0.01359693 -2.10511760 -0.27571927 -0.01365427
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.00036566 0.00486001 0.05344934 -0.02836999 0.52463594
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00132481 -0.01262717 -0.19213385 0.11266382 -1.89675679
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00061716 0.01755018 0.10525728 -0.04569781 1.10701422
|
|
14 -0.00071566 0.00055554 -0.02422551 -0.00156678 -0.00011872
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00071566 0.00055554 -0.02422551 -0.00156678 -0.00011872
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00069498 0.00176523 -0.02473030 0.00453146 -0.00538145
|
|
20 -0.00081552 0.01166735 -0.28453248 0.01439092 -0.04386957
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00081552 0.01166735 -0.28453248 0.01439092 -0.04386957
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.00091054 0.00764434 -0.28163491 -0.01194831 -0.01772624
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -0.00023649 0.00306979 0.03474569 -0.01762255 0.33954415
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 -0.00023649 0.00306979 0.03474569 -0.01762255 0.33954415
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -0.00054079 0.00635856 0.07787351 -0.04267056 0.76198965
|
|
36 -0.01689510 0.73093831 0.06188508 -0.01687669 -0.16681617
|
|
37 0.00173078 0.02036815 -0.00577645 0.37683173 -0.05820021
|
|
38 0.00654785 -0.77565905 -0.02838535 -3.11169121 0.37708995
|
|
39 0.00154778 0.87910918 0.29483878 1.94646913 -0.19326526
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00002147 0.00297938 -0.03219675 0.05886795 -0.43672597
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00057891 -0.01076458 0.12431815 -0.21400751 1.59426841
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00104198 0.00497487 -0.06144343 0.10866021 -0.85814440
|
|
49 -0.00013710 0.00878016 0.00154452 0.02612459 -0.00059836
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00013710 0.00878016 0.00154452 0.02612459 -0.00059836
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.00003833 0.00883204 -0.00373664 0.02655366 -0.00747150
|
|
55 -0.00006398 0.07846881 -0.01220948 0.33880316 -0.05920762
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00006398 0.07846881 -0.01220948 0.33880316 -0.05920762
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.00079076 0.07819594 0.01001704 0.33651034 -0.02604083
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 -0.00011638 0.00194420 -0.02025839 0.03842178 -0.28327573
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 -0.00011638 0.00194420 -0.02025839 0.03842178 -0.28327573
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 -0.00009601 0.00437086 -0.04797949 0.08603173 -0.63672210
|
|
6 7 8 9 10
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.11813760
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.11534061
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.77311976
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.62185042
|
|
5 0.58459157 -0.38182121 0.10885448 0.18000202 0.00000000
|
|
6 -0.38182121 -0.58459157 -0.18000202 0.10885448 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.42885504
|
|
8 -2.11078005 1.37863874 -0.39171985 -0.64774888 0.00000000
|
|
9 1.37863874 2.11078005 0.64774888 -0.39171985 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 1.53888569
|
|
11 1.18636467 -0.77486439 0.24821400 0.41044725 0.00000000
|
|
12 -0.77486439 -1.18636467 -0.41044725 0.24821400 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -1.03010702
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00039352
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00058675 0.00038323 0.00118276 0.00195581 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00039352
|
|
18 0.00038323 0.00058675 -0.00195581 0.00118276 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.01248145
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.10248649
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00264963 -0.00173058 -0.00542491 -0.00897064 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.10248649
|
|
24 -0.00173058 -0.00264963 0.00897064 -0.00542491 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.04056853
|
|
26 0.85107935 -0.55587552 0.15760638 0.26061828 0.00000000
|
|
27 -0.24859509 -0.38061425 -0.11655204 0.07048372 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -0.27814487
|
|
29 0.38061425 -0.24859509 0.07048372 0.11655204 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.38086669 -0.24875997 0.06999943 0.11575123 0.00000000
|
|
32 -0.55587552 -0.85107935 -0.26061828 0.15760638 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -0.27814487
|
|
34 -0.24875997 -0.38086669 -0.11575123 0.06999943 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.61754463
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.07064628
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.10318346
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.71202066
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.61686367
|
|
40 0.22884845 -0.14947050 -0.38573992 -0.63786044 0.00000000
|
|
41 -0.14947050 -0.22884845 0.63786044 -0.38573992 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -0.60246776
|
|
43 -0.83394954 0.54468733 1.40485093 2.32306482 0.00000000
|
|
44 0.54468733 0.83394954 -2.32306482 1.40485093 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 2.19145348
|
|
46 0.41432509 -0.27061304 -0.75960988 -1.25609270 0.00000000
|
|
47 -0.27061304 -0.41432509 1.25609270 -0.75960988 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -1.31204001
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00077440
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00167349 -0.00109303 0.00037371 0.00061796 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.00077440
|
|
53 -0.00109303 -0.00167349 -0.00061796 0.00037371 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.01001475
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.08657054
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00736353 0.00480943 -0.00167081 -0.00276286 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.08657054
|
|
59 0.00480943 0.00736353 0.00276286 -0.00167081 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.04076309
|
|
61 0.33485915 -0.21871052 -0.56242345 -0.93002475 0.00000000
|
|
62 -0.09781032 -0.14975356 0.41591971 -0.25152341 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 -0.39167967
|
|
64 0.14975356 -0.09781032 -0.25152341 -0.41591971 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.15044939 -0.09826479 -0.25137563 -0.41567534 0.00000000
|
|
67 -0.21871052 -0.33485915 0.93002475 -0.56242345 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 -0.39167967
|
|
69 -0.09826479 -0.15044939 0.41567534 -0.25137563 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -0.87268192
|
|
11 12 13 14 15
|
|
1 -2.73933551 0.96170759 0.00000000 0.00000000 0.11603442
|
|
2 -1.22626989 0.48426282 0.00000000 0.00000000 0.11959910
|
|
3 6.40401493 -2.33907846 0.00000000 0.00000000 -0.39767916
|
|
4 -0.67558196 0.40269033 0.00000000 0.00000000 0.08884599
|
|
5 0.00000000 0.00000000 0.00125644 -2.10019200 0.00000000
|
|
6 0.00000000 0.00000000 -2.10019200 -0.00125644 0.00000000
|
|
7 0.02068788 0.03270546 0.00000000 0.00000000 1.76765935
|
|
8 0.00000000 0.00000000 -0.00476931 7.97213429 0.00000000
|
|
9 0.00000000 0.00000000 7.97213429 0.00476931 0.00000000
|
|
10 -0.08352269 -0.13335977 0.00000000 0.00000000 -6.72733524
|
|
11 0.00000000 0.00000000 0.00090239 -1.50839101 0.00000000
|
|
12 0.00000000 0.00000000 -1.50839101 -0.00090239 0.00000000
|
|
13 -0.02745195 0.04916414 0.00000000 0.00000000 1.25876092
|
|
14 -0.05544764 0.02389158 0.00000000 0.00000000 0.01000333
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00000322 0.00538862 0.00000000
|
|
17 -0.05544764 0.02389158 0.00000000 0.00000000 0.01000333
|
|
18 0.00000000 0.00000000 0.00538862 0.00000322 0.00000000
|
|
19 -0.06238346 0.00795083 0.00000000 0.00000000 -0.01778495
|
|
20 -0.93028575 0.29568506 0.00000000 0.00000000 -0.01889330
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00002092 -0.03497308 0.00000000
|
|
23 -0.93028575 0.29568506 0.00000000 0.00000000 -0.01889330
|
|
24 0.00000000 0.00000000 -0.03497308 -0.00002092 0.00000000
|
|
25 -0.89407324 0.38022281 0.00000000 0.00000000 0.16554024
|
|
26 0.00000000 0.00000000 0.00185728 -3.10452501 0.00000000
|
|
27 0.00000000 0.00000000 -1.38838579 -0.00083060 0.00000000
|
|
28 0.01342277 0.01850042 0.00000000 0.00000000 1.16593103
|
|
29 0.00000000 0.00000000 0.00083060 -1.38838579 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00083100 -1.38905949 0.00000000
|
|
32 0.00000000 0.00000000 -3.10452501 -0.00185728 0.00000000
|
|
33 0.01342277 0.01850042 0.00000000 0.00000000 1.16593103
|
|
34 0.00000000 0.00000000 -1.38905949 -0.00083100 0.00000000
|
|
35 0.03268916 0.04862222 0.00000000 0.00000000 2.61093961
|
|
36 -1.03542338 -2.81220947 0.00000000 0.00000000 0.21148870
|
|
37 -0.39821610 -1.22887089 0.00000000 0.00000000 0.08166610
|
|
38 2.22443760 6.34931354 0.00000000 0.00000000 -0.42265491
|
|
39 -0.05962571 -0.65884462 0.00000000 0.00000000 -0.06276406
|
|
40 0.00000000 0.00000000 0.00045403 -0.75893559 0.00000000
|
|
41 0.00000000 0.00000000 -0.75893559 -0.00045403 0.00000000
|
|
42 -0.01786205 -0.00517643 0.00000000 0.00000000 -0.93804580
|
|
43 0.00000000 0.00000000 -0.00171073 2.85957349 0.00000000
|
|
44 0.00000000 0.00000000 2.85957349 0.00171073 0.00000000
|
|
45 0.07680796 0.01691128 0.00000000 0.00000000 3.56171443
|
|
46 0.00000000 0.00000000 0.00029198 -0.48806103 0.00000000
|
|
47 0.00000000 0.00000000 -0.48806103 -0.00029198 0.00000000
|
|
48 0.00750387 0.04742653 0.00000000 0.00000000 -0.53396307
|
|
49 -0.01783918 -0.06003374 0.00000000 0.00000000 0.02673077
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000821 -0.01372386 0.00000000
|
|
52 -0.01783918 -0.06003374 0.00000000 0.00000000 0.02673077
|
|
53 0.00000000 0.00000000 -0.01372386 -0.00000821 0.00000000
|
|
54 -0.03323580 -0.05657634 0.00000000 0.00000000 -0.03785289
|
|
55 -0.36737508 -0.93887780 0.00000000 0.00000000 -0.07514691
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.00005128 0.08571883 0.00000000
|
|
58 -0.36737508 -0.93887780 0.00000000 0.00000000 -0.07514691
|
|
59 0.00000000 0.00000000 0.08571883 0.00005128 0.00000000
|
|
60 -0.28981084 -0.95631706 0.00000000 0.00000000 0.33969627
|
|
61 0.00000000 0.00000000 0.00067173 -1.12283345 0.00000000
|
|
62 0.00000000 0.00000000 -0.50214639 -0.00030041 0.00000000
|
|
63 -0.00943500 -0.00513655 0.00000000 0.00000000 -0.61650185
|
|
64 0.00000000 0.00000000 0.00030041 -0.50214639 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00030159 -0.50411406 0.00000000
|
|
67 0.00000000 0.00000000 -1.12283345 -0.00067173 0.00000000
|
|
68 -0.00943500 -0.00513655 0.00000000 0.00000000 -0.61650185
|
|
69 0.00000000 0.00000000 -0.50411406 -0.00030159 0.00000000
|
|
70 -0.02808755 -0.00926116 0.00000000 0.00000000 -1.38796783
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 -0.16792442 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.06683740 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.08810558 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.20892274 0.00000000 0.00000000
|
|
5 -0.39070684 0.68364238 0.00000000 0.00000000 0.00000000
|
|
6 0.68364238 0.39070684 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 1.09414189 0.00000000 0.00000000
|
|
8 1.48771879 -2.60314772 0.00000000 0.00000000 0.00000000
|
|
9 -2.60314772 -1.48771879 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -4.13437231 0.00000000 0.00000000
|
|
11 -0.30228278 0.52892168 0.00000000 0.00000000 0.00000000
|
|
12 0.52892168 0.30228278 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.91616787 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 -0.04786711 -0.12724636 0.00006749
|
|
15 0.00000000 0.00000000 0.00000000 -0.00007793 -0.14693144
|
|
16 -0.01150645 0.02013350 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.04786711 0.12724636 -0.00006749
|
|
18 0.02013350 0.01150645 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.07135460 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.23889724 0.93418756 -0.00049550
|
|
21 0.00000000 0.00000000 0.00000000 0.00057215 1.07870688
|
|
22 0.07765608 -0.13587933 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.23889724 -0.93418756 0.00049550
|
|
24 -0.13587933 -0.07765608 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.58426464 0.00000000 0.00000000
|
|
26 -0.57628067 1.00835166 0.00000000 0.00000000 0.00000000
|
|
27 0.45094857 0.25772055 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.72560373 -0.00001745 0.00000001
|
|
29 -0.25772055 0.45094857 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.00000001 -0.00002015
|
|
31 -0.25668344 0.44913388 0.00000000 0.00000000 0.00000000
|
|
32 1.00835166 0.57628067 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.72560373 0.00001745 -0.00000001
|
|
34 0.44913388 0.25668344 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 1.61222076 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.11142736 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.14981961 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.11652244 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.22976187 0.00000000 0.00000000
|
|
40 1.05597374 -1.84769840 0.00000000 0.00000000 0.00000000
|
|
41 -1.84769840 -1.05597374 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 1.71381700 0.00000000 0.00000000
|
|
43 -3.99024864 6.98196912 0.00000000 0.00000000 0.00000000
|
|
44 6.98196912 3.99024864 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -6.45845736 0.00000000 0.00000000
|
|
46 0.74418598 -1.30214530 0.00000000 0.00000000 0.00000000
|
|
47 -1.30214530 -0.74418598 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 1.28009778 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.02917273 -0.00150697 0.00000080
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000092 -0.00174010
|
|
51 -0.00339218 0.00593549 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.02917273 0.00150697 -0.00000080
|
|
53 0.00593549 0.00339218 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.03226514 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.12317375 0.01052382 -0.00000558
|
|
56 0.00000000 0.00000000 0.00000000 0.00000645 0.01215186
|
|
57 0.02201939 -0.03852860 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.12317375 -0.01052382 0.00000558
|
|
59 -0.03852860 -0.02201939 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.28833404 0.00000000 0.00000000
|
|
61 1.55870881 -2.72736307 0.00000000 0.00000000 0.00000000
|
|
62 -1.21971384 -0.69707577 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 1.13362504 -0.00001721 0.00000001
|
|
64 0.69707577 -1.21971384 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 -0.00000001 -0.00001987
|
|
66 0.69668589 -1.21903165 0.00000000 0.00000000 0.00000000
|
|
67 -2.72736307 -1.55870881 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 1.13362504 0.00001721 -0.00000001
|
|
69 -1.21903165 -0.69668589 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 2.52804035 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 0.17961595 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.13102903 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.13894499 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -0.09298324 0.00000000 0.00000000
|
|
5 0.00739973 0.00027639 0.00000000 0.00000000 0.00000000
|
|
6 -0.00027639 0.00739973 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.25011382 0.00000000 0.00000000
|
|
8 -0.02735504 -0.00102174 0.00000000 0.00000000 0.00000000
|
|
9 0.00102174 -0.02735504 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.98459911 0.00000000 0.00000000
|
|
11 0.00693044 0.00025886 0.00000000 0.00000000 0.00000000
|
|
12 -0.00025886 0.00693044 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.20047147 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 -0.03574326 -0.00139112 -0.00000041
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000047 0.00160632
|
|
16 -0.14241203 -0.00531926 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.03574326 0.00139112 0.00000041
|
|
18 0.00531926 -0.14241203 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.10730975 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.40926657 0.01053621 0.00000311
|
|
21 0.00000000 0.00000000 0.00000000 0.00000359 -0.01216617
|
|
22 1.04713206 0.03911165 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.40926657 -0.01053621 -0.00000311
|
|
24 -0.03911165 1.04713206 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.64595847 0.00000000 0.00000000
|
|
26 0.01121911 0.00041905 0.00000000 0.00000000 0.00000000
|
|
27 -0.00018740 0.00501734 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.16114286 -0.00001828 -0.00000001
|
|
29 0.00501734 0.00018740 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.00000001 0.00002110
|
|
31 0.00465529 0.00017388 0.00000000 0.00000000 0.00000000
|
|
32 -0.00041905 0.01121911 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.16114286 0.00001828 0.00000001
|
|
34 -0.00017388 0.00465529 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.36389733 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.12916514 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.12157052 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 -0.10456982 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.01730123 0.00000000 0.00000000
|
|
40 -0.32707104 -0.01221650 0.00000000 0.00000000 0.00000000
|
|
41 0.01221650 -0.32707104 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.71042373 0.00000000 0.00000000
|
|
43 1.25020031 0.04669650 0.00000000 0.00000000 0.00000000
|
|
44 -0.04669650 1.25020031 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 2.71834066 0.00000000 0.00000000
|
|
46 -0.26025917 -0.00972100 0.00000000 0.00000000 0.00000000
|
|
47 0.00972100 -0.26025917 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.57056650 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 -0.04189747 0.13010322 0.00003836
|
|
50 0.00000000 0.00000000 0.00000000 0.00004429 -0.15023026
|
|
51 0.02915971 0.00108915 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.04189747 -0.13010322 -0.00003836
|
|
53 -0.00108915 0.02915971 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.11291568 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.40760891 -0.93557719 -0.00027585
|
|
56 0.00000000 0.00000000 0.00000000 -0.00031853 1.08031148
|
|
57 -0.20407986 -0.00762263 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.40760891 0.93557719 0.00027585
|
|
59 0.00762263 -0.20407986 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.68890987 0.00000000 0.00000000
|
|
61 -0.47842359 -0.01786970 0.00000000 0.00000000 0.00000000
|
|
62 0.00799157 -0.21395753 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.46475343 -0.00001644 -0.00000000
|
|
64 -0.21395753 -0.00799157 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 -0.00000001 0.00001899
|
|
66 -0.21359969 -0.00797821 0.00000000 0.00000000 0.00000000
|
|
67 0.01786970 -0.47842359 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.46475343 0.00001644 0.00000000
|
|
69 0.00797821 -0.21359969 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -1.03897454 0.00000000 0.00000000
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 0.14745133 -1.62865163 -0.62761063
|
|
2 0.00000000 0.00000000 -0.07341021 0.20056892 -0.00904694
|
|
3 0.00000000 0.00000000 -0.43047664 5.62626776 2.33526949
|
|
4 0.00000000 0.00000000 0.26894392 -0.45706105 -0.29221059
|
|
5 0.19623940 -0.04678653 0.00000000 0.00000000 0.00000000
|
|
6 -0.04678653 -0.19623940 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.94657654 -0.02872425 0.10237906
|
|
8 -0.76171055 0.18160366 0.00000000 0.00000000 0.00000000
|
|
9 0.18160366 0.76171055 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -3.67140681 0.09802567 -0.37379898
|
|
11 0.17480520 -0.04167628 0.00000000 0.00000000 0.00000000
|
|
12 -0.04167628 -0.17480520 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.96514370 -0.01550401 0.07088058
|
|
14 0.00000000 0.00000000 0.04627517 -0.11823906 -0.04246779
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.02556440 0.00609495 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.04627517 -0.11823906 -0.04246779
|
|
18 0.00609495 0.02556440 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.05933788 -0.11660166 -0.04610150
|
|
20 0.00000000 0.00000000 -0.19900489 -1.74918310 -0.73979093
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.19410002 -0.04627647 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.19900489 -1.74918310 -0.73979093
|
|
24 -0.04627647 -0.19410002 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.67974256 -1.78094864 -0.62423305
|
|
26 0.28555190 -0.06808002 0.00000000 0.00000000 0.00000000
|
|
27 -0.03044631 -0.12770269 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.61894363 -0.02119631 0.07517193
|
|
29 0.12770269 -0.03044631 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.12722605 -0.03033267 0.00000000 0.00000000 0.00000000
|
|
32 -0.06808002 -0.28555190 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.61894363 -0.02119631 0.07517193
|
|
34 -0.03033267 -0.12722605 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 1.37035031 -0.04201509 0.14563392
|
|
36 0.00000000 0.00000000 -0.11186225 -0.57730819 1.65330721
|
|
37 0.00000000 0.00000000 0.05699723 0.16487846 -0.21299964
|
|
38 0.00000000 0.00000000 0.36265545 1.83740712 -5.69900481
|
|
39 0.00000000 0.00000000 -0.27044975 -0.06514348 0.51195122
|
|
40 -0.08706353 0.02075730 0.00000000 0.00000000 0.00000000
|
|
41 0.02075730 0.08706353 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 1.06049724 0.10225602 0.04508855
|
|
43 0.33337290 -0.07948129 0.00000000 0.00000000 0.00000000
|
|
44 -0.07948129 -0.33337290 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -4.07698883 -0.37125772 -0.16827149
|
|
46 -0.07209394 0.01718832 0.00000000 0.00000000 0.00000000
|
|
47 0.01718832 0.07209394 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 1.01375759 0.07075235 0.03265096
|
|
49 0.00000000 0.00000000 -0.05187734 -0.04437579 0.11411966
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.14251157 0.03397698 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.05187734 -0.04437579 0.11411966
|
|
53 0.03397698 0.14251157 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.07832238 -0.03774333 0.11612392
|
|
55 0.00000000 0.00000000 0.27301250 -0.56203759 1.79313233
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 1.02761247 -0.24499882 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.27301250 -0.56203759 1.79313233
|
|
59 -0.24499882 -1.02761247 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.75663576 -0.68666071 1.73872103
|
|
61 -0.12726650 0.03034232 0.00000000 0.00000000 0.00000000
|
|
62 0.01356950 0.05691531 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.69341019 0.07435534 0.03294468
|
|
64 -0.05691531 0.01356950 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.05656175 0.01348520 0.00000000 0.00000000 0.00000000
|
|
67 0.03034232 0.12726650 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.69341019 0.07435534 0.03294468
|
|
69 0.01348520 0.05656175 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 1.53812802 0.14654676 0.06361591
|
|
31 32 33 34 35
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.07938084
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.01546777
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.20467269
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.05975019
|
|
5 0.09556506 3.79267297 0.38316563 -1.56049778 0.00000000
|
|
6 -3.79267297 0.09556506 -1.56049778 -0.38316563 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -3.79474002
|
|
8 -0.29730563 -11.79911429 -1.19814981 4.87963950 0.00000000
|
|
9 11.79911429 -0.29730563 4.87963950 1.19814981 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 -0.00000000 11.82683046
|
|
11 0.02983249 1.18395642 0.12918759 -0.52613527 0.00000000
|
|
12 -1.18395642 0.02983249 -0.52613527 -0.12918759 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -1.22772623
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00371428
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00002561 -0.00101641 0.00074437 -0.00303155 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00371428
|
|
18 0.00101641 -0.00002561 -0.00303155 -0.00074437 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00283321
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.03273908
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00011626 -0.00461411 0.00313679 -0.01277505 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.03273908
|
|
24 0.00461411 -0.00011626 -0.01277505 -0.00313679 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.02157390
|
|
26 0.14297997 5.67441993 0.57244916 -2.33138251 0.00000000
|
|
27 -2.53767774 0.06394259 -1.04262595 -0.25600705 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -2.52728057
|
|
29 0.06394259 2.53767774 0.25600705 -1.04262595 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.06400984 2.54034671 0.25408410 -1.03479449 0.00000000
|
|
32 -5.67441993 0.14297997 -2.33138251 -0.57244916 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -2.52728057
|
|
34 -2.54034671 0.06400984 -1.03479449 -0.25408410 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -5.66327172
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.16648342
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.03739256
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.14948234
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.11354802
|
|
40 0.03729260 1.48002452 -0.91070146 3.70896424 0.00000000
|
|
41 -1.48002452 0.03729260 3.70896424 0.91070146 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 1.59297259
|
|
43 -0.11555869 -4.58615674 2.83835435 -11.55961119 -0.00000000
|
|
44 4.58615674 -0.11555869 -11.55961119 -2.83835435 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -4.87070475
|
|
46 0.01083049 0.42982783 -0.28949772 1.17902159 0.00000000
|
|
47 -0.42982783 0.01083049 1.17902159 0.28949772 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.36515041
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.01187077
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00006736 0.00267331 0.00031612 -0.00128744 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.01187077
|
|
53 -0.00267331 0.00006736 -0.00128744 -0.00031612 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00163421
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.05476900
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00033525 0.01330498 0.00145395 -0.00592141 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.05476900
|
|
59 -0.01330498 0.00033525 -0.00592141 -0.00145395 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.03195704
|
|
61 0.05601642 2.22311334 -1.36559421 5.56158115 0.00000000
|
|
62 -0.99420651 0.02505130 2.48721470 0.61071229 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 1.05417548
|
|
64 0.02505130 0.99420651 -0.61071229 2.48721470 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.02523311 1.00142172 -0.60987281 2.48379576 0.00000000
|
|
67 -2.22311334 0.05601642 5.56158115 1.36559421 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 1.05417548
|
|
69 -1.00142172 0.02523311 2.48379576 0.60987281 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 2.40918654
|
|
36 37 38 39 40
|
|
1 0.16759927 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 -0.07819438 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00678822 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 -0.24491122 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -2.04932567 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 6.53118428 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.88659755 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.01511386 0.00000000 0.00000000 -0.00002541 0.00000007
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000009 -0.00002934
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.01511386 0.00000000 0.00000000 0.00002541 -0.00000007
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00776961 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.04448879 0.00000000 0.00000000 0.00003016 -0.00000009
|
|
21 0.00000000 0.00000000 0.00000000 0.00000010 0.00003482
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.04448879 0.00000000 0.00000000 -0.00003016 0.00000009
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.07011886 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.67853108 -0.40570379 -0.00000000 -0.00000000
|
|
27 0.00000000 -0.54430875 -0.91034498 0.00000000 -0.00000000
|
|
28 -1.38181779 0.00000000 -0.00000000 0.86602166 -0.00254325
|
|
29 0.00000000 -0.91034498 0.54430875 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 -0.00000000 0.00293669 0.99999568
|
|
31 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.40570379 0.67853108 0.00000000 0.00000000
|
|
33 -1.38181779 -0.00000000 0.00000000 -0.86602166 0.00254325
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -3.01779668 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -0.07900468 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.07001356 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 -0.13569241 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.22590231 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
42 -3.98147947 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 12.52346209 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 -1.45341683 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 -0.00892095 0.00000000 0.00000000 -0.00002692 0.00000008
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000009 -0.00003109
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00892095 0.00000000 0.00000000 0.00002692 -0.00000008
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00697048 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.01335950 0.00000000 0.00000000 -0.00001183 0.00000003
|
|
56 0.00000000 0.00000000 0.00000000 -0.00000004 -0.00001367
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.01335950 0.00000000 0.00000000 0.00001183 -0.00000003
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.06920406 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000530 -0.00000317 0.00000000 0.00000000
|
|
62 0.00000000 -0.00000425 -0.00000711 0.00000000 0.00000000
|
|
63 -2.67090113 0.00000000 0.00000000 -0.00010600 0.00000031
|
|
64 0.00000000 -0.00000711 0.00000425 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 -0.00000036 -0.00012240
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.00000317 0.00000530 0.00000000 0.00000000
|
|
68 -2.67090113 0.00000000 0.00000000 0.00010600 -0.00000031
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 -5.92647459 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.01588937 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.01002670 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00650806 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -0.02325327 0.00000000 0.00000000
|
|
5 0.00226305 0.00143003 0.00000000 0.00000000 0.00000000
|
|
6 0.00143003 -0.00226305 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -0.05389569 0.00000000 0.00000000
|
|
8 -0.00716323 -0.00452648 0.00000000 0.00000000 0.00000000
|
|
9 -0.00452648 0.00716323 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.17721222 0.00000000 0.00000000
|
|
11 0.00125735 0.00079453 0.00000000 0.00000000 0.00000000
|
|
12 0.00079453 -0.00125735 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.03690026 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00321383 0.00002743 -0.00000010
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000012 -0.00003167
|
|
16 0.00012475 0.00007883 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00321383 -0.00002743 0.00000010
|
|
18 0.00007883 -0.00012475 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.00409414 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00172270 0.00001083 -0.00000004
|
|
21 0.00000000 0.00000000 0.00000000 -0.00000005 -0.00001250
|
|
22 0.00012727 0.00008042 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.00172270 -0.00001083 0.00000004
|
|
24 0.00008042 -0.00012727 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.00354237 0.00000000 0.00000000
|
|
26 -0.51453585 -0.32513804 0.00000000 0.00000000 0.00000000
|
|
27 -0.14540615 0.23010742 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.63500818 0.00010606 -0.00000039
|
|
29 -0.23010742 -0.14540615 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.00000045 -0.00012246
|
|
31 0.92743321 0.58605015 0.00000000 0.00000000 0.00000000
|
|
32 -0.32513804 0.51453585 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.63500818 -0.00010606 0.00000039
|
|
34 0.58605015 -0.92743321 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -1.07363326 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.29907077 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.15264869 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 -0.07083975 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.09643891 0.00000000 0.00000000
|
|
40 -0.03477111 -0.02197205 0.00000000 0.00000000 0.00000000
|
|
41 -0.02197205 0.03477111 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.19439223 0.00000000 0.00000000
|
|
43 0.10719581 0.06773763 0.00000000 0.00000000 0.00000000
|
|
44 0.06773763 -0.10719581 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.60657486 0.00000000 0.00000000
|
|
46 -0.01656994 -0.01047063 0.00000000 0.00000000 0.00000000
|
|
47 -0.01047063 0.01656994 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.09974280 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00916884 0.00002744 -0.00000010
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000012 -0.00003169
|
|
51 0.00037353 0.00023603 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00916884 -0.00002744 0.00000010
|
|
53 0.00023603 -0.00037353 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.01515907 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.01689457 -0.00002968 0.00000011
|
|
56 0.00000000 0.00000000 0.00000000 0.00000013 0.00003427
|
|
57 0.00016406 0.00010367 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.01689457 0.00002968 -0.00000011
|
|
59 0.00010367 -0.00016406 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.01318768 0.00000000 0.00000000
|
|
61 -0.04826045 -0.03049605 0.00000000 -0.00000000 -0.00000000
|
|
62 -0.01363825 0.02158273 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.16354892 0.86601948 -0.00320063
|
|
64 -0.02158273 -0.01363825 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 -0.00369577 -0.99999316
|
|
66 -0.01981596 -0.01252182 0.00000000 0.00000000 0.00000000
|
|
67 -0.03049605 0.04826045 0.00000000 -0.00000000 -0.00000000
|
|
68 0.00000000 0.00000000 -0.16354892 -0.86601948 0.00320063
|
|
69 -0.01252182 0.01981596 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -0.20189215 0.00000000 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.30526089
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.15419903
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.07834952
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.09553226
|
|
5 -0.00000000 -0.00000000 0.03452150 -0.01910904 0.00000000
|
|
6 -0.00000000 0.00000000 -0.01910904 -0.03452150 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.19523367
|
|
8 0.00000000 0.00000000 -0.10603378 0.05869399 0.00000000
|
|
9 0.00000000 -0.00000000 0.05869399 0.10603378 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.60852911
|
|
11 0.00000000 0.00000000 0.01662007 -0.00919988 0.00000000
|
|
12 0.00000000 0.00000000 -0.00919988 -0.01662007 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.10238288
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00868967
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00040131 -0.00022214 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00868967
|
|
18 0.00000000 0.00000000 -0.00022214 -0.00040131 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.01596950
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.01587006
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00015309 -0.00008474 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.01587006
|
|
24 0.00000000 0.00000000 -0.00008474 -0.00015309 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.01179054
|
|
26 -0.00000432 -0.00000441 0.04591120 -0.02541371 0.00000000
|
|
27 0.00000591 -0.00000580 -0.01136535 -0.02053211 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.07567246
|
|
29 0.00000580 0.00000591 0.02053211 -0.01136535 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.02235552 -0.01237468 0.00000000
|
|
32 -0.00000441 0.00000432 -0.02541371 -0.04591120 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 0.07567246
|
|
34 0.00000000 0.00000000 -0.01237468 -0.02235552 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.33191595
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.02369180
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.01001003
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.01637630
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01040635
|
|
40 0.00000000 0.00000000 -0.00240339 0.00133037 0.00000000
|
|
41 0.00000000 0.00000000 0.00133037 0.00240339 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.07856488
|
|
43 0.00000000 0.00000000 0.00760168 -0.00420784 0.00000000
|
|
44 0.00000000 0.00000000 -0.00420784 -0.00760168 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.25402659
|
|
46 0.00000000 0.00000000 -0.00131444 0.00072760 0.00000000
|
|
47 0.00000000 0.00000000 0.00072760 0.00131444 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.04931849
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00192094
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00011799 -0.00006531 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.00192094
|
|
53 0.00000000 0.00000000 -0.00006531 -0.00011799 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00592652
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.00377488
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00012605 -0.00006977 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.00377488
|
|
59 0.00000000 0.00000000 -0.00006977 -0.00012605 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.00192988
|
|
61 0.55359804 0.56438392 0.53242544 -0.29471902 0.00000000
|
|
62 -0.75720049 0.74272971 -0.13180235 -0.23810789 0.00000000
|
|
63 0.00000000 -0.00000000 0.00000000 0.00000000 -0.61983292
|
|
64 -0.74272971 -0.75720049 0.23810789 -0.13180235 0.00000000
|
|
65 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.95988438 0.53133484 0.00000000
|
|
67 0.56438392 -0.55359804 -0.29471902 -0.53242544 0.00000000
|
|
68 -0.00000000 0.00000000 0.00000000 0.00000000 -0.61983292
|
|
69 0.00000000 -0.00000000 0.53133484 0.95988438 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 1.10760649
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.41043685
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.17363454
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.16935444
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.14481997
|
|
5 0.00000000 0.00000000 0.00197727 -0.00012521 0.00000000
|
|
6 0.00000000 0.00000000 0.00012521 0.00197727 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.02537109
|
|
8 0.00000000 0.00000000 -0.00419731 0.00026580 0.00000000
|
|
9 0.00000000 0.00000000 -0.00026580 -0.00419731 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.04912148
|
|
11 0.00000000 0.00000000 0.00098129 -0.00006214 0.00000000
|
|
12 0.00000000 0.00000000 0.00006214 0.00098129 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.00881882
|
|
14 -0.00077100 1.05982620 0.00000000 0.00000000 0.52651610
|
|
15 -1.22378189 -0.00089027 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 1.21411493 -0.07688569 0.00000000
|
|
17 0.00077100 -1.05982620 0.00000000 0.00000000 0.52651610
|
|
18 0.00000000 0.00000000 0.07688569 1.21411493 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -1.07508182
|
|
20 0.00037565 -0.51637554 0.00000000 0.00000000 -0.26608206
|
|
21 0.59625911 0.00043376 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.59160229 0.03746412 0.00000000
|
|
23 -0.00037565 0.51637554 0.00000000 0.00000000 -0.26608206
|
|
24 0.00000000 0.00000000 -0.03746412 -0.59160229 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.51693000
|
|
26 0.00000000 0.00000000 0.00142066 -0.00008997 0.00000000
|
|
27 0.00000000 0.00000000 0.00004023 0.00063534 0.00000000
|
|
28 -0.00000001 0.00001883 0.00000000 0.00000000 -0.00798490
|
|
29 0.00000000 0.00000000 0.00063534 -0.00004023 0.00000000
|
|
30 -0.00002174 -0.00000002 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00054700 -0.00003464 0.00000000
|
|
32 0.00000000 0.00000000 0.00008997 0.00142066 0.00000000
|
|
33 0.00000001 -0.00001883 0.00000000 0.00000000 -0.00798490
|
|
34 0.00000000 0.00000000 0.00003464 0.00054700 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.01372756
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.73414378
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.30172520
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.34743990
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.20676856
|
|
40 0.00000000 0.00000000 0.03942372 -0.00249657 0.00000000
|
|
41 0.00000000 0.00000000 0.00249657 0.03942372 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.15138087
|
|
43 0.00000000 0.00000000 -0.09302673 0.00589106 0.00000000
|
|
44 0.00000000 0.00000000 -0.00589106 -0.09302673 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.38456188
|
|
46 0.00000000 0.00000000 0.02297128 -0.00145469 0.00000000
|
|
47 0.00000000 0.00000000 0.00145469 0.02297128 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.09471915
|
|
49 -0.00000498 0.00684447 0.00000000 0.00000000 0.28284863
|
|
50 -0.00790331 -0.00000575 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.13172811 0.00834188 0.00000000
|
|
52 0.00000498 -0.00684447 0.00000000 0.00000000 0.28284863
|
|
53 0.00000000 0.00000000 -0.00834188 -0.13172811 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.60734588
|
|
55 0.00000236 -0.00324311 0.00000000 0.00000000 -0.15220274
|
|
56 0.00374482 0.00000272 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.06241077 -0.00395226 0.00000000
|
|
58 -0.00000236 0.00324311 0.00000000 0.00000000 -0.15220274
|
|
59 0.00000000 0.00000000 0.00395226 0.06241077 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.26986099
|
|
61 0.00000000 0.00000000 0.03206119 -0.00203032 0.00000000
|
|
62 0.00000000 0.00000000 0.00090799 0.01433820 0.00000000
|
|
63 0.00000002 -0.00002909 0.00000000 0.00000000 0.06139258
|
|
64 0.00000000 0.00000000 0.01433820 -0.00090799 0.00000000
|
|
65 0.00003359 0.00000002 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.01497674 -0.00094843 0.00000000
|
|
67 0.00000000 0.00000000 0.00203032 0.03206119 0.00000000
|
|
68 -0.00000002 0.00002909 0.00000000 0.00000000 0.06139258
|
|
69 0.00000000 0.00000000 0.00094843 0.01497674 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.14160130
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.79015760
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.30709650
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.42828360
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.17493998
|
|
5 0.00000000 0.00000000 0.03532591 0.01431183 0.00000000
|
|
6 0.00000000 0.00000000 -0.01431183 0.03532591 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.23046542
|
|
8 0.00000000 0.00000000 -0.07941767 -0.03217502 0.00000000
|
|
9 0.00000000 0.00000000 0.03217502 -0.07941767 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.57891708
|
|
11 0.00000000 0.00000000 0.02086730 0.00845411 0.00000000
|
|
12 0.00000000 0.00000000 -0.00845411 0.02086730 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.15752039
|
|
14 -0.00003542 -0.00689403 0.00000000 0.00000000 0.31178794
|
|
15 0.00796054 -0.00004090 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.12324825 -0.04993240 0.00000000
|
|
17 0.00003542 0.00689403 0.00000000 0.00000000 0.31178794
|
|
18 0.00000000 0.00000000 0.04993240 -0.12324825 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.58532671
|
|
20 0.00001765 0.00343479 0.00000000 0.00000000 -0.13397387
|
|
21 -0.00396616 0.00002038 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.06144752 0.02489465 0.00000000
|
|
23 -0.00001765 -0.00343479 0.00000000 0.00000000 -0.13397387
|
|
24 0.00000000 0.00000000 -0.02489465 0.06144752 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.32503802
|
|
26 0.00000000 0.00000000 0.02589696 0.01049181 0.00000000
|
|
27 0.00000000 0.00000000 -0.00469208 0.01158147 0.00000000
|
|
28 0.00000015 0.00002856 0.00000000 0.00000000 0.08741392
|
|
29 0.00000000 0.00000000 0.01158147 0.00469208 0.00000000
|
|
30 -0.00003298 0.00000017 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.01219047 0.00493881 0.00000000
|
|
32 0.00000000 0.00000000 -0.01049181 0.02589696 0.00000000
|
|
33 -0.00000015 -0.00002856 0.00000000 0.00000000 0.08741392
|
|
34 0.00000000 0.00000000 -0.00493881 0.01219047 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.20931070
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.43792485
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.16537530
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.26226807
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.06810765
|
|
40 0.00000000 0.00000000 -0.00594509 -0.00240857 0.00000000
|
|
41 0.00000000 0.00000000 0.00240857 -0.00594509 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.18649971
|
|
43 0.00000000 0.00000000 0.01402256 0.00568106 0.00000000
|
|
44 0.00000000 0.00000000 -0.00568106 0.01402256 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.48543624
|
|
46 0.00000000 0.00000000 -0.00363827 -0.00147399 0.00000000
|
|
47 0.00000000 0.00000000 0.00147399 -0.00363827 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.13056684
|
|
49 0.00544290 1.05946576 0.00000000 0.00000000 -0.54236079
|
|
50 -1.22336568 0.00628493 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -1.12724589 -0.45668877 0.00000000
|
|
52 -0.00544290 -1.05946576 0.00000000 0.00000000 -0.54236079
|
|
53 0.00000000 0.00000000 0.45668877 -1.12724589 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 1.06199501
|
|
55 -0.00263985 -0.51384853 0.00000000 0.00000000 0.25402097
|
|
56 0.59334117 -0.00304823 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.54706131 0.22163466 0.00000000
|
|
58 0.00263985 0.51384853 0.00000000 0.00000000 0.25402097
|
|
59 0.00000000 0.00000000 -0.22163466 0.54706131 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.54397891
|
|
61 0.00000000 0.00000000 -0.00470689 -0.00190693 0.00000000
|
|
62 0.00000000 0.00000000 0.00085281 -0.00210498 0.00000000
|
|
63 -0.00000010 -0.00002025 0.00000000 0.00000000 0.07484655
|
|
64 0.00000000 0.00000000 -0.00210498 -0.00085281 0.00000000
|
|
65 0.00002338 -0.00000012 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.00230247 -0.00093281 0.00000000
|
|
67 0.00000000 0.00000000 0.00190693 -0.00470689 0.00000000
|
|
68 0.00000010 0.00002025 0.00000000 0.00000000 0.07484655
|
|
69 0.00000000 0.00000000 0.00093281 -0.00230247 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.18106617
|
|
61 62 63 64 65
|
|
1 14.18028758 0.00000000 0.00000000 4.22339854 -0.76915554
|
|
2 -3.20646275 0.00000000 0.00000000 -0.87856040 0.14319243
|
|
3 -9.37069435 0.00000000 0.00000000 -2.89918067 0.60805420
|
|
4 -3.75729495 0.00000000 0.00000000 -1.07273172 0.12799676
|
|
5 0.00000000 0.00153940 -1.33501134 0.00000000 0.00000000
|
|
6 0.00000000 1.33501134 0.00153940 0.00000000 0.00000000
|
|
7 0.02742081 0.00000000 0.00000000 -0.37944687 -1.44903340
|
|
8 0.00000000 -0.01018368 8.83157324 0.00000000 -0.00000000
|
|
9 0.00000000 -8.83157324 -0.01018368 0.00000000 0.00000000
|
|
10 -0.16197047 0.00000000 0.00000000 2.32555684 9.19414841
|
|
11 0.00000000 0.00075116 -0.65142539 0.00000000 0.00000000
|
|
12 0.00000000 0.65142539 0.00075116 0.00000000 0.00000000
|
|
13 0.01505372 0.00000000 0.00000000 -0.19780689 -0.73096437
|
|
14 -0.55952185 0.00000000 0.00000000 -0.20889623 0.02832768
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000274 -0.00237820 0.00000000 0.00000000
|
|
17 -0.55952185 0.00000000 0.00000000 -0.20889623 0.02832768
|
|
18 0.00000000 0.00237820 0.00000274 0.00000000 0.00000000
|
|
19 -0.57186100 0.00000000 0.00000000 -0.14134751 0.03890451
|
|
20 0.92358912 0.00000000 0.00000000 0.32120788 -0.06153475
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 -0.00000233 0.00201859 0.00000000 0.00000000
|
|
23 0.92358912 0.00000000 0.00000000 0.32120788 -0.06153475
|
|
24 0.00000000 -0.00201859 -0.00000233 0.00000000 0.00000000
|
|
25 0.93372146 0.00000000 0.00000000 0.26532537 -0.07114167
|
|
26 0.00000000 0.00571222 -4.95380056 0.00000000 0.00000000
|
|
27 0.00000000 2.21540696 0.00255458 0.00000000 0.00000000
|
|
28 0.03775325 0.00000000 0.00000000 -0.56348639 -2.28384716
|
|
29 0.00000000 0.00255458 -2.21540696 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00255382 -2.21474871 0.00000000 0.00000000
|
|
32 0.00000000 4.95380056 0.00571222 0.00000000 0.00000000
|
|
33 0.03775325 0.00000000 0.00000000 -0.56348639 -2.28384716
|
|
34 0.00000000 2.21474871 0.00255382 0.00000000 0.00000000
|
|
35 0.08903125 0.00000000 0.00000000 -1.28423526 -5.10538054
|
|
36 4.57969903 0.00000000 0.00000000 -13.73219813 3.11124001
|
|
37 -1.10138512 0.00000000 0.00000000 3.06250515 -0.64744969
|
|
38 -2.91521810 0.00000000 0.00000000 9.11929766 -2.08664938
|
|
39 -1.26643757 0.00000000 0.00000000 3.62195931 -0.75505501
|
|
40 0.00000000 0.00031055 -0.26932067 0.00000000 0.00000000
|
|
41 0.00000000 0.26932067 0.00031055 0.00000000 0.00000000
|
|
42 -0.09043003 0.00000000 0.00000000 -0.07474443 0.04649096
|
|
43 0.00000000 -0.00220487 1.91212964 0.00000000 0.00000000
|
|
44 0.00000000 -1.91212964 -0.00220487 0.00000000 0.00000000
|
|
45 0.51159020 0.00000000 0.00000000 0.38623813 -0.60414913
|
|
46 0.00000000 0.00014346 -0.12441371 0.00000000 0.00000000
|
|
47 0.00000000 0.12441371 0.00014346 0.00000000 0.00000000
|
|
48 -0.04980439 0.00000000 0.00000000 -0.05212677 -0.04173847
|
|
49 -0.14673589 0.00000000 0.00000000 0.56917809 -0.11776045
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.00001588 0.01377419 0.00000000 0.00000000
|
|
52 -0.14673589 0.00000000 0.00000000 0.56917809 -0.11776045
|
|
53 0.00000000 -0.01377419 -0.00001588 0.00000000 0.00000000
|
|
54 -0.20754561 0.00000000 0.00000000 0.52386069 -0.20868963
|
|
55 0.25653855 0.00000000 0.00000000 -0.91859104 0.17422128
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00001326 -0.01150003 0.00000000 0.00000000
|
|
58 0.25653855 0.00000000 0.00000000 -0.91859104 0.17422128
|
|
59 0.00000000 0.01150003 0.00001326 0.00000000 0.00000000
|
|
60 0.30533062 0.00000000 0.00000000 -0.88041242 0.25574786
|
|
61 0.00000000 0.00125761 -1.09063875 0.00000000 -0.00000000
|
|
62 0.00000000 0.48774848 0.00056242 0.00000000 0.00000000
|
|
63 -0.11505190 0.00000000 0.00000000 -0.08402390 0.18320731
|
|
64 0.00000000 0.00056242 -0.48774848 0.00000000 -0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00055835 -0.48421595 0.00000000 -0.00000000
|
|
67 0.00000000 1.09063875 0.00125761 0.00000000 -0.00000000
|
|
68 -0.11505190 0.00000000 0.00000000 -0.08402390 0.18320731
|
|
69 0.00000000 0.48421595 0.00055835 0.00000000 0.00000000
|
|
70 -0.27935739 0.00000000 0.00000000 -0.20313837 0.38246422
|
|
66 67 68 69 70
|
|
1 0.00000000 0.00000000 0.63289420 55.05400634 53.45037711
|
|
2 0.00000000 0.00000000 -0.08919555 -26.74907162 -25.81433207
|
|
3 0.00000000 0.00000000 -0.46094104 -32.31780523 -31.71487533
|
|
4 0.00000000 0.00000000 -0.08676865 -15.55144623 -14.90470182
|
|
5 0.07817601 0.34233331 0.00000000 0.00000000 0.00000000
|
|
6 -0.34233331 0.07817601 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.25853424 0.02195913 0.00254391
|
|
8 -0.48887763 -2.14079859 0.00000000 0.00000000 0.00000000
|
|
9 2.14079859 -0.48887763 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 -0.00000000 -1.32412383 -0.07143509 -0.02124105
|
|
11 0.04009527 0.17557748 0.00000000 0.00000000 0.00000000
|
|
12 -0.17557748 0.04009527 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.19833489 0.02703011 0.00030885
|
|
14 0.00000000 0.00000000 -0.01583710 3.58558538 3.44050385
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00298676 -0.01307903 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.01583710 3.58558538 3.44050385
|
|
18 0.01307903 -0.00298676 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.11298751 3.55490121 3.47232827
|
|
20 0.00000000 0.00000000 0.01161917 3.28199708 3.29139749
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00254218 0.01113222 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.01161917 3.28199708 3.29139749
|
|
24 -0.01113222 0.00254218 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.09998885 3.32952524 3.24342831
|
|
26 0.26995941 1.18215414 0.00000000 0.00000000 0.00000000
|
|
27 -0.52867541 0.12072952 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.29401091 0.00325838 0.01569850
|
|
29 0.12072952 0.52867541 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.12151722 0.53212477 0.00000000 0.00000000 0.00000000
|
|
32 -1.18215414 0.26995941 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.29401091 0.00325838 0.01569850
|
|
34 -0.53212477 0.12151722 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.68676397 0.02888599 0.01133914
|
|
36 0.00000000 -0.00000000 -0.54955679 52.77936159 -55.70104989
|
|
37 0.00000000 0.00000000 0.09654108 -25.64980361 26.90729101
|
|
38 0.00000000 0.00000000 0.44835358 -30.96766592 33.03505905
|
|
39 0.00000000 0.00000000 0.06517189 -14.91713972 15.54076018
|
|
40 -0.29730730 -1.30191075 0.00000000 0.00000000 0.00000000
|
|
41 1.30191075 -0.29730730 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 1.49565717 -0.02186886 0.00348678
|
|
43 1.96851582 8.62014466 0.00000000 0.00000000 0.00000000
|
|
44 -8.62014466 1.96851582 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -9.47833247 0.07058103 -0.02435244
|
|
46 -0.14678628 -0.64277816 0.00000000 0.00000000 0.00000000
|
|
47 0.64277816 -0.14678628 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.77277793 -0.02702176 0.00144815
|
|
49 0.00000000 0.00000000 0.01101380 3.43896669 -3.58687902
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00087491 -0.00383124 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.01101380 3.43896669 -3.58687902
|
|
53 0.00383124 -0.00087491 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.05198118 3.40693829 -3.61743382
|
|
55 0.00000000 0.00000000 -0.03295286 3.14165236 -3.42513577
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00073434 0.00321569 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.03295286 3.14165236 -3.42513577
|
|
59 -0.00321569 0.00073434 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.06910028 3.19116963 -3.37916714
|
|
61 -1.10296686 -4.82989967 0.00000000 0.00000000 0.00000000
|
|
62 2.15999680 -0.49326178 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 2.34667629 -0.00261228 0.01585867
|
|
64 -0.49326178 -2.15999680 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.49348051 -2.16095462 0.00000000 0.00000000 0.00000000
|
|
67 4.82989967 -1.10296686 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 2.34667629 -0.00261228 0.01585867
|
|
69 2.16095462 -0.49348051 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 5.25586255 -0.02842479 0.01261039
|
|
|
|
---------------------------------------
|
|
UHF spin-up orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49988191
|
|
2 0.04891688
|
|
3 0.25373552
|
|
4 0.35898946
|
|
5 0.42514653
|
|
6 0.47011368
|
|
7 0.47011368
|
|
8 0.55322306
|
|
9 0.55322306
|
|
10 0.69261567
|
|
11 1.11022153
|
|
12 1.23169673
|
|
13 1.81484198
|
|
14 1.81484198
|
|
15 1.82519237
|
|
16 1.90264907
|
|
17 1.90264907
|
|
18 1.91462570
|
|
19 2.06803241
|
|
20 2.06803241
|
|
21 2.07113210
|
|
22 2.07113210
|
|
23 2.09362979
|
|
24 2.11272972
|
|
25 2.11272972
|
|
26 2.11734954
|
|
27 2.11734954
|
|
28 2.28436543
|
|
29 3.05487159
|
|
30 3.15295219
|
|
31 4.42371699
|
|
32 4.42371699
|
|
33 4.49063383
|
|
34 4.49063383
|
|
35 4.49697795
|
|
36 4.56918338
|
|
37 6.05479501
|
|
38 6.05479501
|
|
39 6.05479566
|
|
40 6.05479566
|
|
41 6.05498017
|
|
42 6.05498017
|
|
43 6.05961223
|
|
44 6.08642821
|
|
45 6.08642821
|
|
46 6.08643570
|
|
47 6.08643570
|
|
48 6.08659368
|
|
49 6.08659368
|
|
50 6.09133601
|
|
51 8.12054259
|
|
52 8.12054259
|
|
53 8.12062731
|
|
54 8.12062731
|
|
55 8.12328998
|
|
56 8.16460114
|
|
57 8.16460114
|
|
58 8.16570372
|
|
59 8.16570372
|
|
60 8.20580249
|
|
61 9.63819356
|
|
62 9.69876086
|
|
63 9.69876086
|
|
64 9.71192580
|
|
65 9.74172345
|
|
66 9.74659781
|
|
67 9.74659781
|
|
68 9.78357943
|
|
69 22.33914230
|
|
70 22.62482055
|
|
|
|
---------------------------------------
|
|
UHF spin-down orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49988191
|
|
2 0.04891688
|
|
3 0.25373552
|
|
4 0.35898946
|
|
5 0.42514653
|
|
6 0.47011368
|
|
7 0.47011368
|
|
8 0.55322306
|
|
9 0.55322306
|
|
10 0.69261567
|
|
11 1.11022153
|
|
12 1.23169673
|
|
13 1.81484198
|
|
14 1.81484198
|
|
15 1.82519237
|
|
16 1.90264907
|
|
17 1.90264907
|
|
18 1.91462570
|
|
19 2.06803241
|
|
20 2.06803241
|
|
21 2.07113210
|
|
22 2.07113210
|
|
23 2.09362979
|
|
24 2.11272972
|
|
25 2.11272972
|
|
26 2.11734954
|
|
27 2.11734954
|
|
28 2.28436543
|
|
29 3.05487159
|
|
30 3.15295219
|
|
31 4.42371699
|
|
32 4.42371699
|
|
33 4.49063383
|
|
34 4.49063383
|
|
35 4.49697795
|
|
36 4.56918338
|
|
37 6.05479501
|
|
38 6.05479501
|
|
39 6.05479566
|
|
40 6.05479566
|
|
41 6.05498017
|
|
42 6.05498017
|
|
43 6.05961223
|
|
44 6.08642821
|
|
45 6.08642821
|
|
46 6.08643570
|
|
47 6.08643570
|
|
48 6.08659368
|
|
49 6.08659368
|
|
50 6.09133601
|
|
51 8.12054259
|
|
52 8.12054259
|
|
53 8.12062731
|
|
54 8.12062731
|
|
55 8.12328998
|
|
56 8.16460114
|
|
57 8.16460114
|
|
58 8.16570372
|
|
59 8.16570372
|
|
60 8.20580249
|
|
61 9.63819356
|
|
62 9.69876086
|
|
63 9.69876086
|
|
64 9.71192580
|
|
65 9.74172345
|
|
66 9.74659781
|
|
67 9.74659781
|
|
68 9.78357943
|
|
69 22.33914230
|
|
70 22.62482055
|
|
|
|
Total CPU time for UHF = 1.997 seconds
|
|
|
|
|
|
AO to MO transformation... Please be patient
|
|
|
|
Total CPU time for AO to MO transformation = 15.364 seconds
|
|
|
|
|
|
************************************************
|
|
| Configuration Interaction Singles |
|
|
************************************************
|
|
|
|
|
|
-------------------------------------------------------------
|
|
UCIS calculation: spin-conserved manifold
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.359227 | 9.775058 |
|
|
| 2 | 0.361313 | 9.831833 |
|
|
| 3 | 0.474365 | 12.908134 |
|
|
| 4 | 0.479695 | 13.053163 |
|
|
| 5 | 0.588946 | 16.026045 |
|
|
| 6 | 0.591382 | 16.092319 |
|
|
| 7 | 0.591382 | 16.092319 |
|
|
| 8 | 0.603792 | 16.430021 |
|
|
| 9 | 0.603792 | 16.430021 |
|
|
| 10 | 0.607787 | 16.538720 |
|
|
| 11 | 0.694028 | 18.885455 |
|
|
| 12 | 0.694462 | 18.897282 |
|
|
| 13 | 0.867670 | 23.610495 |
|
|
| 14 | 0.867670 | 23.610495 |
|
|
| 15 | 0.868626 | 23.636508 |
|
|
| 16 | 0.868626 | 23.636508 |
|
|
| 17 | 0.940981 | 25.605390 |
|
|
| 18 | 0.945084 | 25.717059 |
|
|
| 19 | 1.219312 | 33.179171 |
|
|
| 20 | 1.220507 | 33.211685 |
|
|
-------------------------------------------------------------
|
|
|
|
---------------------------------------------------------------
|
|
Transition dipole moment (au)
|
|
---------------------------------------------------------------
|
|
# X Y Z dip. str. osc. str.
|
|
---------------------------------------------------------------
|
|
1 -0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
2 -0.000000 0.000000 0.673243 0.453256 0.109178
|
|
3 0.000000 0.000000 0.460779 0.212318 0.067144
|
|
4 -0.000000 0.000000 0.000000 0.000000 0.000000
|
|
5 0.000000 -0.000000 -1.078918 1.164064 0.457047
|
|
6 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
7 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
8 -0.257917 1.313311 0.000000 1.791308 0.721052
|
|
9 1.313311 0.257917 0.000000 1.791308 0.721052
|
|
10 -0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
11 -0.000000 0.000000 0.067633 0.004574 0.002116
|
|
12 -0.000000 0.000000 0.000000 0.000000 0.000000
|
|
13 0.005439 -0.016239 0.000000 0.000293 0.000170
|
|
14 -0.016239 -0.005439 0.000000 0.000293 0.000170
|
|
15 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
16 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
17 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
18 0.000000 0.000000 -0.237343 0.056332 0.035492
|
|
19 0.000000 -0.000000 -0.000300 0.000000 0.000000
|
|
20 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
---------------------------------------------------------------
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 1: 9.775058 eV f = 0.0000 <S**2> = 0.2339
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.692161
|
|
1A -> 3A = 0.102017
|
|
1B -> 2B = 0.692161
|
|
1B -> 3B = -0.102017
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 2: 9.831833 eV f = 0.1092 <S**2> = 0.2550
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.693553
|
|
1A -> 5A = -0.122176
|
|
1B -> 2B = -0.693553
|
|
1B -> 5B = -0.122176
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 3: 12.908134 eV f = 0.0671 <S**2> = 0.9873
|
|
-------------------------------------------------------------
|
|
1A -> 3A = -0.694662
|
|
1A -> 5A = -0.107906
|
|
1B -> 3B = -0.694662
|
|
1B -> 5B = -0.107906
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 4: 13.053163 eV f = 0.0000 <S**2> = 0.9874
|
|
-------------------------------------------------------------
|
|
1A -> 3A = -0.694168
|
|
1B -> 3B = 0.694168
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 5: 16.026045 eV f = 0.4570 <S**2> = 0.9608
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.119321
|
|
1A -> 4A = 0.183099
|
|
1A -> 5A = 0.638619
|
|
1A -> 10A = 0.183935
|
|
1B -> 2B = -0.119321
|
|
1B -> 4B = 0.183099
|
|
1B -> 5B = 0.638619
|
|
1B -> 10B = -0.183935
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 6: 16.092319 eV f = 0.0000 <S**2> = 1.0178
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.380218
|
|
1A -> 7A = 0.573438
|
|
1A -> 9A = -0.156298
|
|
1B -> 6B = -0.615792
|
|
1B -> 7B = 0.306916
|
|
1B -> 9B = -0.125660
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 7: 16.092319 eV f = 0.0000 <S**2> = 1.0178
|
|
-------------------------------------------------------------
|
|
1A -> 6A = -0.573438
|
|
1A -> 7A = 0.380218
|
|
1A -> 8A = -0.156298
|
|
1B -> 6B = 0.306916
|
|
1B -> 7B = 0.615792
|
|
1B -> 8B = 0.125660
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 8: 16.430021 eV f = 0.7211 <S**2> = 0.9861
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.658670
|
|
1A -> 7A = -0.186104
|
|
1A -> 8A = 0.172590
|
|
1B -> 6B = 0.477701
|
|
1B -> 7B = 0.490186
|
|
1B -> 8B = 0.163360
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 9: 16.430021 eV f = 0.7211 <S**2> = 0.9861
|
|
-------------------------------------------------------------
|
|
1A -> 6A = -0.186104
|
|
1A -> 7A = -0.658670
|
|
1A -> 9A = 0.172590
|
|
1B -> 6B = -0.490186
|
|
1B -> 7B = 0.477701
|
|
1B -> 9B = -0.163360
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 10: 16.538720 eV f = 0.0000 <S**2> = 0.8636
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.207145
|
|
1A -> 5A = 0.639288
|
|
1A -> 10A = 0.187451
|
|
1B -> 4B = -0.207145
|
|
1B -> 5B = -0.639288
|
|
1B -> 10B = 0.187451
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 11: 18.885455 eV f = 0.0021 <S**2> = 0.8816
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.680881
|
|
1A -> 5A = -0.181081
|
|
1B -> 4B = 0.680881
|
|
1B -> 5B = -0.181081
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 12: 18.897282 eV f = 0.0000 <S**2> = 0.8862
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.673402
|
|
1A -> 5A = -0.207556
|
|
1B -> 4B = -0.673402
|
|
1B -> 5B = 0.207556
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 13: 23.610495 eV f = 0.0002 <S**2> = 1.0137
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.172733
|
|
1A -> 8A = -0.663405
|
|
1A -> 9A = 0.170909
|
|
1B -> 6B = 0.136952
|
|
1B -> 7B = 0.108291
|
|
1B -> 8B = -0.668444
|
|
1B -> 9B = 0.149995
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 14: 23.610495 eV f = 0.0002 <S**2> = 1.0137
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.172733
|
|
1A -> 8A = -0.170909
|
|
1A -> 9A = -0.663405
|
|
1B -> 6B = -0.108291
|
|
1B -> 7B = 0.136952
|
|
1B -> 8B = 0.149995
|
|
1B -> 9B = 0.668444
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 15: 23.636508 eV f = 0.0000 <S**2> = 0.9825
|
|
-------------------------------------------------------------
|
|
1A -> 7A = 0.134949
|
|
1A -> 8A = -0.113595
|
|
1A -> 9A = 0.679277
|
|
1B -> 6B = -0.141343
|
|
1B -> 8B = 0.410507
|
|
1B -> 9B = 0.552996
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 16: 23.636508 eV f = 0.0000 <S**2> = 0.9825
|
|
-------------------------------------------------------------
|
|
1A -> 6A = -0.134949
|
|
1A -> 8A = 0.679277
|
|
1A -> 9A = 0.113595
|
|
1B -> 7B = 0.141343
|
|
1B -> 8B = -0.552996
|
|
1B -> 9B = 0.410507
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 17: 25.605390 eV f = 0.0000 <S**2> = 1.0555
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.180485
|
|
1A -> 10A = 0.678283
|
|
1B -> 5B = 0.180485
|
|
1B -> 10B = 0.678283
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 18: 25.717059 eV f = 0.0355 <S**2> = 0.9300
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.179080
|
|
1A -> 10A = 0.679133
|
|
1B -> 5B = -0.179080
|
|
1B -> 10B = -0.679133
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 19: 33.179171 eV f = 0.0000 <S**2> = 1.0194
|
|
-------------------------------------------------------------
|
|
1A -> 11A = -0.684390
|
|
1A -> 12A = 0.160447
|
|
1B -> 11B = 0.684390
|
|
1B -> 12B = -0.160447
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 20: 33.211685 eV f = 0.0000 <S**2> = 0.9822
|
|
-------------------------------------------------------------
|
|
1A -> 11A = -0.682535
|
|
1A -> 12A = 0.168353
|
|
1B -> 11B = -0.682535
|
|
1B -> 12B = 0.168353
|
|
|
|
Thomas-Reiche-Kuhn sum rule = 2.113421
|
|
|
|
Total CPU time for CIS = 0.006 seconds
|
|
|
|
Total CPU time for QuAcK = 19.161 seconds
|
|
|