2587 lines
185 KiB
Plaintext
2587 lines
185 KiB
Plaintext
210 significant shell pairs computed in 0.000103 seconds
|
|
0
|
|
Computed Electron repulsion integrals Integrals in parallel in 2.921001 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 6.4250688266
|
|
|
|
------------------
|
|
Nuclear repulsion energy = 0.1556403561
|
|
------------------
|
|
|
|
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 = 0.815 seconds
|
|
|
|
|
|
Lowdin orthogonalization
|
|
|
|
|
|
************************************************
|
|
* Unrestricted Hartree-Fock calculation *
|
|
************************************************
|
|
|
|
|
|
----------------------------------------------------------
|
|
| # | E(UHF) | Ex(UHF) | Conv |
|
|
----------------------------------------------------------
|
|
| 1 | -0.7955156683 | -0.3940506449 | 1.000000 |
|
|
| 2 | -0.8679591312 | -0.4117250352 | 0.086894 |
|
|
| 3 | -0.9611642869 | -0.5249785129 | 0.070716 |
|
|
| 4 | -0.9943439681 | -0.5887813569 | 0.026090 |
|
|
| 5 | -0.9992123697 | -0.6110514996 | 0.008397 |
|
|
| 6 | -0.9998339703 | -0.6193682041 | 0.003477 |
|
|
| 7 | -0.9999171287 | -0.6226405293 | 0.001415 |
|
|
| 8 | -0.9999289274 | -0.6239452627 | 0.000571 |
|
|
| 9 | -0.9999306724 | -0.6244660403 | 0.000229 |
|
|
| 10 | -0.9999309371 | -0.6246735682 | 0.000092 |
|
|
| 11 | -0.9999309777 | -0.6247561136 | 0.000036 |
|
|
| 12 | -0.9999309840 | -0.6247888954 | 0.000015 |
|
|
| 13 | -0.9999309850 | -0.6248018986 | 0.000006 |
|
|
| 14 | -0.9999309852 | -0.6248070518 | 0.000002 |
|
|
| 15 | -0.9999309852 | -0.6248090927 | 0.000001 |
|
|
| 16 | -0.9999309852 | -0.6248099005 | 0.000000 |
|
|
| 17 | -0.9999309852 | -0.6248102202 | 0.000000 |
|
|
| 18 | -0.9999309852 | -0.6248103467 | 0.000000 |
|
|
----------------------------------------------------------
|
|
|
|
-------------------------------------------------
|
|
Summary
|
|
-------------------------------------------------
|
|
One-electron energy: -1.3112737458 au
|
|
One-electron a energy: -0.6556368729 au
|
|
One-electron b energy: -0.6556368729 au
|
|
Kinetic energy: 0.9994629247 au
|
|
Kinetic a energy: 0.4997314624 au
|
|
Kinetic b energy: 0.4997314624 au
|
|
Potential energy: -2.3107366705 au
|
|
Potential a energy: -1.1553683352 au
|
|
Potential b energy: -1.1553683352 au
|
|
-------------------------------------------------
|
|
Two-electron energy: 0.1557024045 au
|
|
Two-electron aa energy: -0.0000000000 au
|
|
Two-electron ab energy: 0.1557024045 au
|
|
Two-electron bb energy: -0.0000000000 au
|
|
Hartree energy: 0.7805127512 au
|
|
Hartree aa energy: 0.3124051733 au
|
|
Hartree ab energy: 0.1557024045 au
|
|
Hartree bb energy: 0.3124051733 au
|
|
Exchange energy: -0.6248103467 au
|
|
Exchange a energy: -0.3124051733 au
|
|
Exchange b energy: -0.3124051733 au
|
|
-------------------------------------------------
|
|
Electronic energy: -1.1555713413 au
|
|
Nuclear repulsion: 0.1556403561 au
|
|
UHF energy: -0.9999309852 au
|
|
-------------------------------------------------
|
|
UHF HOMO a energy: -13.603910 eV
|
|
UHF LUMO a energy: 1.264739 eV
|
|
UHF HOMOa-LUMOa gap: 14.868649 eV
|
|
-------------------------------------------------
|
|
UHF HOMO b energy: -13.603910 eV
|
|
UHF LUMO b energy: 1.264739 eV
|
|
UHF HOMOb-LUMOb gap : 14.868649 eV
|
|
-------------------------------------------------
|
|
S (exact) : 1.000000
|
|
S : 2.234652
|
|
<S**2> (exact) : 0.000000
|
|
<S**2> : 0.998417
|
|
-------------------------------------------------
|
|
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 -0.00601613 -0.72275098 0.10901019 0.05694828 -0.08653346
|
|
2 0.00029373 -0.01980142 0.00098563 -0.35219930 -0.10316195
|
|
3 0.00357964 0.77124848 -0.00838373 2.87623036 0.98955661
|
|
4 -0.00048762 -0.86771741 0.14738305 -1.78626652 -0.60754452
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.00008859 0.00076305 -0.04152807 -0.02262582 0.49215907
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00004261 -0.00278781 0.14958918 0.08284004 -1.79338483
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00004110 0.00052184 -0.09244847 -0.02908680 0.86451107
|
|
14 -0.00003232 -0.00880132 -0.00051450 -0.02424072 -0.00844933
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00003232 -0.00880132 -0.00051450 -0.02424072 -0.00844933
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00006365 -0.00880277 -0.00093796 -0.02361397 -0.01178019
|
|
20 -0.00029259 -0.07800312 -0.00286257 -0.31065693 -0.11553000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00029259 -0.07800312 -0.00286257 -0.31065693 -0.11553000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.00024152 -0.07801752 -0.00261847 -0.31291167 -0.10161120
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -0.00003630 0.00052720 -0.02683408 -0.01499577 0.32264822
|
|
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 -0.00003630 0.00052720 -0.02683408 -0.01499577 0.32264822
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -0.00009525 0.00117948 -0.05961153 -0.03379690 0.72250126
|
|
36 -1.01071650 0.05480850 -0.05995085 0.05279451 -0.06406203
|
|
37 0.00495637 -0.00438479 -0.23678559 0.05215978 -0.00878587
|
|
38 0.00768793 0.09678638 2.55491231 -0.41745255 0.22330268
|
|
39 0.00264467 -0.04767528 -2.00037013 0.37687964 -0.07956889
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000720 0.01390176 -0.01407551 0.14896501 -0.63337385
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -0.00002396 -0.04839144 0.05060558 -0.53492510 2.28974854
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00002659 0.03430109 -0.02580018 0.31976841 -1.23570231
|
|
49 -0.00072138 -0.00118026 -0.02337698 0.00283931 -0.00288558
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00072138 -0.00118026 -0.02337698 0.00283931 -0.00288558
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.00072068 -0.00129783 -0.02338847 0.00277552 -0.00493357
|
|
55 -0.00095045 -0.01076305 -0.26962960 0.04284793 -0.03282808
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00095045 -0.01076305 -0.26962960 0.04284793 -0.03282808
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.00095547 -0.01118693 -0.26939667 0.04106551 -0.02481047
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000417 0.00889529 -0.00924108 0.09663212 -0.41318046
|
|
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 0.00000417 0.00889529 -0.00924108 0.09663212 -0.41318046
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00001010 0.01980290 -0.02063984 0.21576595 -0.92467543
|
|
6 7 8 9 10
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.01319766
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.06242656
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.53563925
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.46695398
|
|
5 -0.08374250 -0.05663906 0.78668965 0.06337845 0.00000000
|
|
6 -0.05663906 0.08374250 -0.06337845 0.78668965 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.60440115
|
|
8 0.30500132 0.20628697 -2.86534652 -0.23084227 0.00000000
|
|
9 0.20628697 -0.30500132 0.23084227 -2.86534652 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 2.20080177
|
|
11 -0.14714153 -0.09951885 1.53527566 0.12368714 0.00000000
|
|
12 -0.09951885 0.14714153 -0.12368714 1.53527566 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -1.28326122
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.00248919
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00034079 0.00023049 0.00004492 0.00000362 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.00248919
|
|
18 0.00023049 -0.00034079 -0.00000362 0.00004492 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00560814
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.05532947
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00140861 -0.00095271 -0.00018989 -0.00001530 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.05532947
|
|
24 -0.00095271 0.00140861 0.00001530 -0.00018989 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.04127461
|
|
26 -0.12292117 -0.08313746 1.14746783 0.09244399 0.00000000
|
|
27 -0.03718020 0.05497202 -0.04134221 0.51316321 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -0.39243940
|
|
29 -0.05497202 -0.03718020 0.51316321 0.04134221 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.05507155 -0.03724752 0.51315120 0.04134124 0.00000000
|
|
32 -0.08313746 0.12292117 -0.09244399 1.14746783 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -0.39243940
|
|
34 -0.03724752 0.05507155 -0.04134124 0.51315120 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.87675709
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.01350763
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.03439185
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.45141094
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.47146943
|
|
40 -0.60294274 -0.40779900 -0.06701117 -0.00539865 0.00000000
|
|
41 -0.40779900 0.60294274 0.00539865 -0.06701117 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -0.30298797
|
|
43 2.17654792 1.47210339 0.24110546 0.01942429 0.00000000
|
|
44 1.47210339 -2.17654792 -0.01942429 0.24110546 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 1.08726411
|
|
46 -1.23311186 -0.83401249 -0.16078478 -0.01295338 0.00000000
|
|
47 -0.83401249 1.23311186 0.01295338 -0.16078478 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.78253342
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00201385
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00004052 -0.00002741 0.00045317 0.00003651 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.00201385
|
|
53 -0.00002741 0.00004052 -0.00003651 0.00045317 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00669755
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.04884595
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00017037 0.00011523 -0.00195029 -0.00015712 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.04884595
|
|
59 0.00011523 -0.00017037 0.00015712 -0.00195029 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.02735196
|
|
61 -0.87754105 -0.59352296 -0.09645789 -0.00777098 0.00000000
|
|
62 -0.26543153 0.39244829 0.00347529 -0.04313728 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 -0.19449004
|
|
64 -0.39244829 -0.26543153 -0.04313728 -0.00347529 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.39246080 -0.26544000 -0.04300539 -0.00346466 0.00000000
|
|
67 -0.59352296 0.87754105 0.00777098 -0.09645789 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 -0.19449004
|
|
69 -0.26544000 0.39246080 0.00346466 -0.04300539 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -0.43365509
|
|
11 12 13 14 15
|
|
1 0.16326149 -3.00337984 -0.07258704 0.00000000 0.00000000
|
|
2 0.01728176 -1.29906396 0.00486738 0.00000000 0.00000000
|
|
3 -0.24243289 6.76003774 0.21192087 0.00000000 0.00000000
|
|
4 -0.12114789 -0.63991525 -0.10403177 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 -0.19351134 -0.30704192
|
|
6 0.00000000 0.00000000 0.00000000 -0.30704192 0.19351134
|
|
7 -0.08580448 0.02560931 1.27516032 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.72844805 1.15581903
|
|
9 0.00000000 0.00000000 0.00000000 1.15581903 -0.72844805
|
|
10 0.31336557 -0.09553441 -4.79618210 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 -0.12739365 -0.20213385
|
|
12 0.00000000 0.00000000 0.00000000 -0.20213385 0.12739365
|
|
13 -0.14783091 -0.01911064 0.80491251 0.00000000 0.00000000
|
|
14 0.00564047 -0.06282300 0.00200055 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00127662 0.00202560
|
|
17 0.00564047 -0.06282300 0.00200055 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00202560 -0.00127662
|
|
19 0.00429577 -0.06448497 -0.01586136 0.00000000 0.00000000
|
|
20 0.04256990 -1.01176181 -0.06754898 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 -0.00785406 -0.01246193
|
|
23 0.04256990 -1.01176181 -0.06754898 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.01246193 0.00785406
|
|
25 0.05295678 -1.00302214 0.04099219 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -0.28659179 -0.45473146
|
|
27 0.00000000 0.00000000 0.00000000 -0.20336209 0.12816774
|
|
28 -0.05633320 0.01769000 0.84501018 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 -0.12816774 -0.20336209
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 -0.12829378 -0.20356207
|
|
32 0.00000000 0.00000000 0.00000000 -0.45473146 0.28659179
|
|
33 -0.05633320 0.01769000 0.84501018 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -0.20356207 0.12829378
|
|
35 -0.12646326 0.03981814 1.89150583 0.00000000 0.00000000
|
|
36 2.91483525 0.04543044 -0.03751173 0.00000000 0.00000000
|
|
37 1.32225879 0.07573166 0.03496471 0.00000000 0.00000000
|
|
38 -6.85479261 -0.23060335 0.05018830 0.00000000 0.00000000
|
|
39 0.76843647 0.15777593 -0.01644080 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 -1.18614880 -1.88204686
|
|
41 0.00000000 0.00000000 0.00000000 -1.88204686 1.18614880
|
|
42 0.03281028 -0.07037139 -1.82564931 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 4.50374653 7.14603596
|
|
44 0.00000000 0.00000000 0.00000000 7.14603596 -4.50374653
|
|
45 -0.12336936 0.25582216 6.92073694 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 -0.85883732 -1.36270598
|
|
47 0.00000000 0.00000000 0.00000000 -1.36270598 0.85883732
|
|
48 -0.01088719 -0.12487194 -1.28528219 0.00000000 0.00000000
|
|
49 0.06061314 -0.00154242 0.00032998 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 -0.00022354 -0.00035469
|
|
52 0.06061314 -0.00154242 0.00032998 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.00035469 0.00022354
|
|
54 0.06222376 0.00037045 -0.00996091 0.00000000 0.00000000
|
|
55 0.98184700 0.02788173 -0.03511907 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00143924 0.00228362
|
|
58 0.98184700 0.02788173 -0.03511907 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00228362 -0.00143924
|
|
60 0.97359350 0.01348236 0.02925641 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 -1.75300458 -2.78146953
|
|
62 0.00000000 0.00000000 0.00000000 -1.24391099 0.78396748
|
|
63 0.02250971 -0.04617035 -1.20801715 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 -0.78396748 -1.24391099
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 -0.78398699 -1.24394195
|
|
67 0.00000000 0.00000000 0.00000000 -2.78146953 1.75300458
|
|
68 0.02250971 -0.04617035 -1.20801715 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -1.24394195 0.78398699
|
|
70 0.05065927 -0.10368994 -2.70237514 0.00000000 0.00000000
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 0.05906388 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.06179824 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.30008704 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.16520361 0.00000000 0.00000000
|
|
5 -1.11473175 -1.96192049 0.00000000 0.00000000 0.00000000
|
|
6 1.96192049 -1.11473175 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 1.77704641 0.00000000 0.00000000
|
|
8 4.21163022 7.41244125 0.00000000 0.00000000 0.00000000
|
|
9 -7.41244125 4.21163022 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -6.73607618 0.00000000 0.00000000
|
|
11 -0.78001588 -1.37282277 0.00000000 0.00000000 0.00000000
|
|
12 1.37282277 -0.78001588 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 1.32954170 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 -0.01227688 -0.00004420 -0.00000004
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000004 0.00005104
|
|
16 -0.00025340 -0.00044598 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.01227688 0.00004420 0.00000004
|
|
18 0.00044598 -0.00025340 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.02826678 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.12494076 0.00030880 0.00000027
|
|
21 0.00000000 0.00000000 0.00000000 0.00000031 -0.00035657
|
|
22 0.00160710 0.00282848 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.12494076 -0.00030880 -0.00000027
|
|
24 -0.00282848 0.00160710 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.14588594 0.00000000 0.00000000
|
|
26 -1.64556048 -2.89617553 0.00000000 0.00000000 0.00000000
|
|
27 1.29520907 -0.73591702 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 1.17013555 0.00000029 0.00000000
|
|
29 -0.73591702 -1.29520907 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000033
|
|
31 -0.73589676 -1.29517342 0.00000000 0.00000000 0.00000000
|
|
32 2.89617553 -1.64556048 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 1.17013555 -0.00000029 -0.00000000
|
|
34 1.29517342 -0.73589676 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 2.61448782 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 -0.08639538 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.05797204 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.36656106 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.19058422 0.00000000 0.00000000
|
|
40 0.17661426 0.31083992 0.00000000 0.00000000 0.00000000
|
|
41 -0.31083992 0.17661426 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 1.23275675 0.00000000 0.00000000
|
|
43 -0.67338114 -1.18514634 0.00000000 0.00000000 0.00000000
|
|
44 1.18514634 -0.67338114 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -4.71404019 0.00000000 0.00000000
|
|
46 0.13495328 0.23751687 0.00000000 0.00000000 0.00000000
|
|
47 -0.23751687 0.13495328 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 1.00175397 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.02099018 -0.12726020 -0.00011132
|
|
50 0.00000000 0.00000000 0.00000000 -0.00012854 0.14694742
|
|
51 -0.00186891 -0.00328926 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.02099018 0.12726020 0.00011132
|
|
53 0.00328926 -0.00186891 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.05010041 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.20995987 0.93424975 0.00081723
|
|
56 0.00000000 0.00000000 0.00000000 0.00094366 -1.07877869
|
|
57 0.01242191 0.02186248 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.20995987 -0.93424975 -0.00081723
|
|
59 -0.02186248 0.01242191 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.28476718 0.00000000 0.00000000
|
|
61 0.26016218 0.45788372 0.00000000 0.00000000 0.00000000
|
|
62 -0.20477182 0.11634807 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.81058619 0.00000322 0.00000000
|
|
64 0.11634807 0.20477182 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000372
|
|
66 0.11622499 0.20455521 0.00000000 0.00000000 0.00000000
|
|
67 -0.45788372 0.26016218 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.81058619 -0.00000322 -0.00000000
|
|
69 -0.20455521 0.11622499 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 1.80989540 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 -0.08478203 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.06617423 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.31620350 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -0.13305726 0.00000000 0.00000000
|
|
5 0.05174611 -0.00060874 0.00000000 0.00000000 0.00000000
|
|
6 0.00060874 0.05174611 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -0.54312626 0.00000000 0.00000000
|
|
8 -0.19805312 0.00232988 0.00000000 0.00000000 0.00000000
|
|
9 -0.00232988 -0.19805312 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 2.07705347 0.00000000 0.00000000
|
|
11 0.04111486 -0.00048367 0.00000000 0.00000000 0.00000000
|
|
12 0.00048367 0.04111486 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.43886603 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.01844160 -0.13012218 0.00017707
|
|
15 0.00000000 0.00000000 0.00000000 0.00020446 0.15025216
|
|
16 0.00112275 -0.00001321 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.01844160 0.13012218 -0.00017707
|
|
18 0.00001321 0.00112275 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.04292166 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.17926923 0.93564052 -0.00127322
|
|
21 0.00000000 0.00000000 0.00000000 -0.00147019 -1.08038462
|
|
22 -0.00783897 0.00009222 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.17926923 -0.93564052 0.00127322
|
|
24 -0.00009222 -0.00783897 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.25411672 0.00000000 0.00000000
|
|
26 0.07554933 -0.00088876 0.00000000 0.00000000 0.00000000
|
|
27 0.00039746 0.03378669 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -0.35503447 -0.00000313 0.00000000
|
|
29 0.03378669 -0.00039746 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000362
|
|
31 0.03378077 -0.00039739 0.00000000 0.00000000 0.00000000
|
|
32 0.00088876 0.07554933 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -0.35503447 0.00000313 -0.00000000
|
|
34 0.00039739 0.03378077 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -0.79331280 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.01194887 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.02700546 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 -0.10609793 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.07389541 0.00000000 0.00000000
|
|
40 -0.00245208 0.00002885 0.00000000 0.00000000 0.00000000
|
|
41 -0.00002885 -0.00245208 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.23829398 0.00000000 0.00000000
|
|
43 0.00946267 -0.00011132 0.00000000 0.00000000 0.00000000
|
|
44 0.00011132 0.00946267 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.91553036 0.00000000 0.00000000
|
|
46 -0.00212649 0.00002502 0.00000000 0.00000000 0.00000000
|
|
47 -0.00002502 -0.00212649 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.21206278 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.06763904 0.00004082 -0.00000006
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000006 -0.00004713
|
|
51 -0.14688313 0.00172792 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.06763904 -0.00004082 0.00000006
|
|
53 -0.00172792 -0.14688313 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.13544884 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.48995895 -0.00030834 0.00000042
|
|
56 0.00000000 0.00000000 0.00000000 0.00000048 0.00035604
|
|
57 1.07837642 -0.01268592 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.48995895 0.00030834 -0.00000042
|
|
59 0.01268592 1.07837642 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 1.01169823 0.00000000 0.00000000
|
|
61 -0.00358084 0.00004212 0.00000000 0.00000000 0.00000000
|
|
62 -0.00001884 -0.00160140 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.15622187 -0.00000030 0.00000000
|
|
64 -0.00160140 0.00001884 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000034
|
|
66 -0.00158881 0.00001869 0.00000000 0.00000000 0.00000000
|
|
67 -0.00004212 -0.00358084 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.15622187 0.00000030 -0.00000000
|
|
69 -0.00001869 -0.00158881 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -0.34827951 0.00000000 0.00000000
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 0.04078244 -0.47006640 -1.72043796
|
|
2 0.00000000 0.00000000 0.05484696 0.11438486 0.25510458
|
|
3 0.00000000 0.00000000 -0.21572138 1.30799839 5.86576701
|
|
4 0.00000000 0.00000000 0.11740091 -0.00937167 -0.51411540
|
|
5 0.00209657 0.00031990 0.00000000 0.00000000 0.00000000
|
|
6 -0.00031990 0.00209657 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.37838770 0.04152217 -0.01669420
|
|
8 -0.00804273 -0.00122717 0.00000000 0.00000000 0.00000000
|
|
9 0.00122717 -0.00804273 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -1.44842963 -0.14116901 0.07823169
|
|
11 0.00173712 0.00026505 0.00000000 0.00000000 0.00000000
|
|
12 -0.00026505 0.00173712 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.32011728 0.05375014 -0.04244314
|
|
14 0.00000000 0.00000000 0.07108374 -0.03031799 -0.12027460
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.14850917 -0.02265966 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.07108374 -0.03031799 -0.12027460
|
|
18 0.02265966 -0.14850917 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.14084420 -0.03314298 -0.11926010
|
|
20 0.00000000 0.00000000 -0.49005491 -0.41886557 -1.82675975
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 1.06788993 0.16293962 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.49005491 -0.41886557 -1.82675975
|
|
24 -0.16293962 1.06788993 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 1.04467639 -0.39462653 -1.84097005
|
|
26 0.00305717 0.00046647 0.00000000 0.00000000 0.00000000
|
|
27 -0.00020861 0.00136721 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.24728788 0.02805526 -0.00976023
|
|
29 0.00136721 0.00020861 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00135861 0.00020730 0.00000000 0.00000000 0.00000000
|
|
32 -0.00046647 0.00305717 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.24728788 0.02805526 -0.00976023
|
|
34 -0.00020730 0.00135861 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.55199108 0.06317771 -0.02136666
|
|
36 0.00000000 0.00000000 -0.08040052 -1.75367783 0.31526707
|
|
37 0.00000000 0.00000000 -0.07353181 0.21048398 0.00787239
|
|
38 0.00000000 0.00000000 0.32952976 5.96483990 -1.37161858
|
|
39 0.00000000 0.00000000 -0.15649719 -0.49581885 0.21791990
|
|
40 -0.02871587 -0.00438149 0.00000000 0.00000000 0.00000000
|
|
41 0.00438149 -0.02871587 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.39748450 -0.00307915 -0.04662974
|
|
43 0.11184559 0.01706550 0.00000000 0.00000000 0.00000000
|
|
44 -0.01706550 0.11184559 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -1.54224825 -0.00961919 0.16749553
|
|
46 -0.02565846 -0.00391499 0.00000000 0.00000000 0.00000000
|
|
47 0.00391499 -0.02565846 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.36086840 0.01608005 -0.06654754
|
|
49 0.00000000 0.00000000 -0.01660807 -0.12501632 0.02516925
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00101768 -0.00015528 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.01660807 -0.12501632 0.02516925
|
|
53 0.00015528 -0.00101768 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.02834661 -0.12518579 0.02261961
|
|
55 0.00000000 0.00000000 0.08123924 -1.84893086 0.41561624
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00770365 0.00117543 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.08123924 -1.84893086 0.41561624
|
|
59 -0.00117543 0.00770365 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.26020992 -1.85226986 0.44129338
|
|
61 -0.04161619 -0.00634984 0.00000000 0.00000000 0.00000000
|
|
62 0.00283973 -0.01861133 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.25859021 -0.00337578 -0.03083704
|
|
64 -0.01861133 -0.00283973 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.01860510 -0.00283878 0.00000000 0.00000000 0.00000000
|
|
67 0.00634984 -0.04161619 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.25859021 -0.00337578 -0.03083704
|
|
69 0.00283878 -0.01860510 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.57733680 -0.00815088 -0.06914210
|
|
31 32 33 34 35
|
|
1 0.06461103 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 -0.01947292 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 -0.04986570 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.03218624 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 -0.71644207 -0.50389783 1.73475033 3.60049250
|
|
6 0.00000000 -0.50389783 0.71644207 -3.60049250 1.73475033
|
|
7 -2.36714802 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 2.22540411 1.56520165 -5.40245440 -11.21285073
|
|
9 0.00000000 1.56520165 -2.22540411 11.21285073 -5.40245440
|
|
10 7.32713161 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 -0.21527649 -0.15141120 0.54496388 1.13107824
|
|
12 0.00000000 -0.15141120 0.21527649 -1.13107824 0.54496388
|
|
13 -0.67501693 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00093330 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00041374 0.00029100 0.00005281 0.00010961
|
|
17 0.00093330 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00029100 -0.00041374 -0.00010961 0.00005281
|
|
19 0.00483337 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 -0.01536688 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00161413 0.00113527 0.00020080 0.00041677
|
|
23 -0.01536688 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00113527 -0.00161413 -0.00041677 0.00020080
|
|
25 0.00153680 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 -1.07725862 -0.75767226 2.60179417 5.40005107
|
|
27 0.00000000 -0.33884134 0.48176470 -2.41497626 1.16355772
|
|
28 -1.59328015 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 -0.48176470 -0.33884134 1.16355772 2.41497626
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 -0.48237978 -0.33927394 1.16347606 2.41480675
|
|
32 0.00000000 -0.75767226 1.07725862 -5.40005107 2.60179417
|
|
33 -1.59328015 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 -0.33927394 0.48237978 -2.41480675 1.16347606
|
|
35 -3.56898113 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.05991357 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 -0.03522200 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.01644790 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 -0.00980826 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 -3.28047526 -2.30726872 -0.40084077 -0.83194921
|
|
41 0.00000000 -2.30726872 3.28047526 0.83194921 -0.40084077
|
|
42 3.19195540 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 10.21099232 7.18173474 1.25052313 2.59547386
|
|
44 0.00000000 7.18173474 -10.21099232 -2.59547386 1.25052313
|
|
45 -9.91217716 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 -1.03187703 -0.72575386 -0.13114436 -0.27219150
|
|
47 0.00000000 -0.72575386 1.03187703 0.27219150 -0.13114436
|
|
48 0.96934745 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00114175 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.00009449 -0.00006646 0.00024004 0.00049820
|
|
52 0.00114175 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 -0.00006646 0.00009449 -0.00049820 0.00024004
|
|
54 0.00370883 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.02189154 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.00033007 -0.00023215 0.00081909 0.00170003
|
|
58 -0.02189154 0.00000000 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 -0.00023215 0.00033007 -0.00170003 0.00081909
|
|
60 -0.01239954 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 -4.90806544 -3.45200769 -0.59828897 -1.24175504
|
|
62 0.00000000 -1.54378477 2.19495359 0.55532973 -0.26756296
|
|
63 2.13823852 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 -2.19495359 -1.54378477 -0.26756296 -0.55532973
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 -2.19508623 -1.54387806 -0.26721206 -0.55460143
|
|
67 0.00000000 -3.45200769 4.90806544 1.24175504 -0.59828897
|
|
68 2.13823852 0.00000000 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 -1.54387806 2.19508623 0.55460143 -0.26721206
|
|
70 4.78528939 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 37 38 39 40
|
|
1 0.01223552 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.05805457 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 -0.24198715 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.14859888 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 3.41434224 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 -10.69023397 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 1.16987857 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 -0.00142983 0.00000000 0.00000000 0.00000032 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000037
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00142983 0.00000000 0.00000000 -0.00000032 -0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00441638 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.02887014 0.00000000 0.00000000 0.00000018 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000020
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.02887014 0.00000000 0.00000000 -0.00000018 -0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.05153780 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000013 -0.00000048 0.00000000 0.00000000
|
|
27 0.00000000 0.00000064 0.00000017 0.00000000 0.00000000
|
|
28 2.28172394 0.00000000 0.00000000 -0.00000641 -0.00000003
|
|
29 0.00000000 -0.00000017 0.00000064 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000004 -0.00000740
|
|
31 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 -0.00000048 -0.00000013 0.00000000 0.00000000
|
|
33 2.28172394 0.00000000 0.00000000 0.00000641 0.00000003
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 5.09290568 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -0.02894715 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 -0.05083916 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.24747320 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 -0.15125204 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 2.69660993 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 -8.45920719 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 0.96136219 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00125829 0.00000000 0.00000000 0.00000421 0.00000002
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000003 0.00000487
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00125829 0.00000000 0.00000000 -0.00000421 -0.00000002
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.00590238 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.02467692 0.00000000 0.00000000 -0.00000529 -0.00000003
|
|
56 0.00000000 0.00000000 0.00000000 0.00000003 -0.00000611
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.02467692 0.00000000 0.00000000 0.00000529 0.00000003
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.04998571 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.20433510 -0.76370603 -0.00000000 0.00000000
|
|
62 0.00000000 1.02461945 0.27414439 -0.00000000 0.00000000
|
|
63 1.79464201 0.00000000 -0.00000000 0.86601294 0.00464667
|
|
64 0.00000000 -0.27414439 1.02461945 0.00000000 0.00000000
|
|
65 0.00000000 -0.00000000 -0.00000000 -0.00536551 0.99998561
|
|
66 0.00000000 0.00000008 -0.00000030 0.00000000 -0.00000000
|
|
67 0.00000000 -0.76370603 -0.20433510 -0.00000000 -0.00000000
|
|
68 1.79464201 -0.00000000 0.00000000 -0.86601294 -0.00464667
|
|
69 0.00000000 -0.00000029 -0.00000008 0.00000000 -0.00000000
|
|
70 4.00190200 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.00578077 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00336515 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.02572361 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.01057651 0.00000000 0.00000000
|
|
5 -0.00320209 -0.00198620 0.00000000 0.00007715 0.00000157
|
|
6 0.00198620 -0.00320209 0.00000000 0.00000157 -0.00007715
|
|
7 0.00000000 0.00000000 0.02895796 0.00000000 0.00000000
|
|
8 0.00984436 0.00610628 0.00000000 -0.00023870 -0.00000485
|
|
9 -0.00610628 0.00984436 0.00000000 -0.00000485 0.00023870
|
|
10 0.00000000 0.00000000 -0.08947958 0.00000000 0.00000000
|
|
11 -0.00151099 -0.00093724 0.00000000 0.00003707 0.00000075
|
|
12 0.00093724 -0.00151099 0.00000000 0.00000075 -0.00003707
|
|
13 0.00000000 0.00000000 0.01414619 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00041288 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00000461 -0.00000286 0.00000000 -0.00000507 -0.00000010
|
|
17 0.00000000 0.00000000 0.00041288 0.00000000 0.00000000
|
|
18 0.00000286 -0.00000461 0.00000000 -0.00000010 0.00000507
|
|
19 0.00000000 0.00000000 0.00067942 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00397144 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00000223 -0.00000138 0.00000000 0.00000786 0.00000016
|
|
23 0.00000000 0.00000000 0.00397144 0.00000000 0.00000000
|
|
24 0.00000138 -0.00000223 0.00000000 0.00000016 -0.00000786
|
|
25 0.00000000 0.00000000 0.00416675 0.00000000 0.00000000
|
|
26 -0.00438002 -0.00271685 0.00000000 -0.61213772 -0.01244601
|
|
27 0.00121501 -0.00195880 0.00000000 -0.00556612 0.27376073
|
|
28 0.00000000 0.00000000 0.01944699 -0.00000000 -0.00000000
|
|
29 -0.00195880 -0.00121501 0.00000000 -0.27376073 -0.00556612
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.00191684 -0.00118898 0.00000000 1.09526580 0.02226900
|
|
32 0.00271685 -0.00438002 0.00000000 -0.01244602 0.61213773
|
|
33 0.00000000 0.00000000 0.01944699 0.00000000 0.00000000
|
|
34 0.00118898 -0.00191684 0.00000000 0.02226900 -1.09526580
|
|
35 0.00000000 0.00000000 0.03694997 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00529513 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.00455362 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00586008 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.00694155 0.00000000 0.00000000
|
|
40 0.00006784 0.00004208 0.00000000 -0.00358589 -0.00007291
|
|
41 -0.00004208 0.00006784 0.00000000 -0.00007291 0.00358589
|
|
42 0.00000000 0.00000000 0.01003126 0.00000000 0.00000000
|
|
43 -0.00020998 -0.00013025 0.00000000 0.01098115 0.00022327
|
|
44 0.00013025 -0.00020998 0.00000000 0.00022327 -0.01098115
|
|
45 0.00000000 0.00000000 -0.03178176 0.00000000 0.00000000
|
|
46 0.00003370 0.00002090 0.00000000 -0.00170985 -0.00003476
|
|
47 -0.00002090 0.00003370 0.00000000 -0.00003476 0.00170985
|
|
48 0.00000000 0.00000000 0.00584625 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00032794 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000335 0.00000208 0.00000000 0.00000477 0.00000010
|
|
52 0.00000000 0.00000000 0.00032794 0.00000000 0.00000000
|
|
53 -0.00000208 0.00000335 0.00000000 0.00000010 -0.00000477
|
|
54 0.00000000 0.00000000 -0.00016662 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.00112814 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00000712 -0.00000442 0.00000000 0.00000267 0.00000005
|
|
58 0.00000000 0.00000000 -0.00112814 0.00000000 0.00000000
|
|
59 0.00000442 -0.00000712 0.00000000 0.00000005 -0.00000267
|
|
60 0.00000000 0.00000000 -0.00151543 0.00000000 0.00000000
|
|
61 -0.52029895 -0.32273198 0.00000000 -0.00481883 -0.00009798
|
|
62 0.14432992 -0.23268443 0.00000000 -0.00004382 0.00215505
|
|
63 -0.00000000 -0.00000000 -0.66461528 0.00000000 0.00000000
|
|
64 -0.23268443 -0.14432992 0.00000000 -0.00215505 -0.00004382
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.93094539 0.57744851 0.00000000 -0.00220439 -0.00004482
|
|
67 0.32273198 -0.52029895 0.00000000 -0.00009798 0.00481883
|
|
68 0.00000000 0.00000000 -0.66461528 0.00000000 0.00000000
|
|
69 -0.57744851 0.93094539 0.00000000 -0.00004482 0.00220439
|
|
70 0.00000000 0.00000000 1.01386026 0.00000000 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.00520683
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00451970
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.00591990
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00689654
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.01002490
|
|
8 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.03177583
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00581106
|
|
14 0.00000000 0.00000000 -0.00000460 0.00000001 -0.00032181
|
|
15 0.00000000 0.00000000 0.00000001 0.00000531 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00000460 -0.00000001 -0.00032181
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00015434
|
|
20 0.00000000 0.00000000 0.00000539 -0.00000001 0.00114207
|
|
21 0.00000000 0.00000000 -0.00000001 -0.00000622 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.00000539 0.00000001 0.00114207
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00152812
|
|
26 -0.78419756 0.10018588 0.00000000 -0.00000001 0.00000000
|
|
27 -0.13441303 -1.05210804 0.00000000 -0.00000000 0.00000000
|
|
28 0.00000000 -0.00000000 0.86602457 -0.00120093 -0.66460537
|
|
29 1.05210804 -0.13441304 -0.00000000 0.00000001 0.00000000
|
|
30 0.00000001 0.00000000 -0.00138671 -0.99999904 0.00000000
|
|
31 0.00000340 -0.00000043 0.00000000 0.00000000 0.00000000
|
|
32 0.10018589 0.78419756 0.00000000 0.00000000 0.00000000
|
|
33 -0.00000000 0.00000000 -0.86602457 0.00120093 -0.66460537
|
|
34 -0.00000044 -0.00000339 -0.00000001 -0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 1.01388532
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.00535254
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.00349044
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.02532080
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01061073
|
|
40 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.02774224
|
|
43 0.00000003 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 -0.00000000 -0.00000003 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.08541977
|
|
46 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.01370176
|
|
49 0.00000000 0.00000000 -0.00000023 0.00000000 -0.00040297
|
|
50 0.00000000 0.00000000 0.00000000 0.00000027 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000023 -0.00000000 -0.00040297
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00068132
|
|
55 0.00000000 0.00000000 -0.00000021 0.00000000 -0.00392548
|
|
56 0.00000000 0.00000000 0.00000000 0.00000024 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.00000021 -0.00000000 -0.00392548
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.00410904
|
|
61 0.00000048 -0.00000006 0.00000000 0.00000000 0.00000000
|
|
62 0.00000009 0.00000067 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.00000641 -0.00000001 0.01505877
|
|
64 -0.00000067 0.00000009 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 -0.00000001 -0.00000740 0.00000000
|
|
66 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 -0.00000006 -0.00000048 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.00000641 0.00000001 0.01505877
|
|
69 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.04019198
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.09126859
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.05380987
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.02965234
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.07000657
|
|
5 0.00000000 0.00000000 -0.00108975 0.00526839 0.00000000
|
|
6 0.00000000 0.00000000 0.00526839 0.00108975 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.04848340
|
|
8 0.00000000 0.00000000 0.00242137 -0.01170609 0.00000000
|
|
9 0.00000000 0.00000000 -0.01170609 -0.00242137 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.11124618
|
|
11 0.00000000 0.00000000 -0.00060873 0.00294287 0.00000000
|
|
12 0.00000000 0.00000000 0.00294287 0.00060873 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.02825675
|
|
14 -0.00000014 -0.00015172 0.00000000 0.00000000 0.03116214
|
|
15 -0.00017520 0.00000016 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00087064 0.00420911 0.00000000
|
|
17 0.00000014 0.00015172 0.00000000 0.00000000 0.03116214
|
|
18 0.00000000 0.00000000 0.00420911 0.00087064 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.06342409
|
|
20 0.00000007 0.00007189 0.00000000 0.00000000 -0.02442409
|
|
21 0.00008301 -0.00000008 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00041259 -0.00199467 0.00000000
|
|
23 -0.00000007 -0.00007189 0.00000000 0.00000000 -0.02442409
|
|
24 0.00000000 0.00000000 -0.00199467 -0.00041259 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.02030928
|
|
26 0.00000000 0.00000000 -0.00080565 0.00389490 0.00000000
|
|
27 0.00000000 0.00000000 0.00174185 0.00036030 0.00000000
|
|
28 -0.00000000 -0.00000025 0.00000000 0.00000000 -0.01680286
|
|
29 0.00000000 0.00000000 -0.00036030 0.00174185 0.00000000
|
|
30 -0.00000029 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.00036167 0.00174848 0.00000000
|
|
32 0.00000000 0.00000000 0.00389490 0.00080565 0.00000000
|
|
33 0.00000000 0.00000025 0.00000000 0.00000000 -0.01680286
|
|
34 0.00000000 0.00000000 0.00174848 0.00036167 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.03797479
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.04634328
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.02302588
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00528284
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.02755307
|
|
40 0.00000000 0.00000000 0.00000833 -0.00004028 0.00000000
|
|
41 0.00000000 0.00000000 -0.00004028 -0.00000833 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -0.01520898
|
|
43 0.00000000 0.00000000 -0.00001600 0.00007736 0.00000000
|
|
44 0.00000000 0.00000000 0.00007736 0.00001600 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.04020893
|
|
46 0.00000000 0.00000000 0.00000621 -0.00003002 0.00000000
|
|
47 0.00000000 0.00000000 -0.00003002 -0.00000621 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.01145543
|
|
49 -0.00096046 -1.05984771 0.00000000 0.00000000 0.61049166
|
|
50 -1.22380672 0.00110905 -0.00000000 -0.00000000 0.00000000
|
|
51 0.00000000 -0.00000000 0.24789181 -1.19842928 0.00000000
|
|
52 0.00096046 1.05984771 -0.00000000 -0.00000000 0.61049166
|
|
53 0.00000000 -0.00000000 -1.19842928 -0.24789181 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -1.22303747
|
|
55 0.00046796 0.51638134 -0.00000000 0.00000000 -0.29719463
|
|
56 0.59626581 -0.00054035 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.12077897 0.58390412 0.00000000
|
|
58 -0.00046796 -0.51638134 0.00000000 0.00000000 -0.29719463
|
|
59 0.00000000 0.00000000 0.58390412 0.12077897 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.59777238
|
|
61 0.00000000 0.00000000 0.00000386 -0.00001866 0.00000000
|
|
62 0.00000000 0.00000000 -0.00000835 -0.00000173 0.00000000
|
|
63 0.00000000 0.00000306 0.00000000 0.00000000 -0.00629837
|
|
64 0.00000000 0.00000000 0.00000173 -0.00000835 0.00000000
|
|
65 0.00000353 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000087 -0.00000419 0.00000000
|
|
67 0.00000000 0.00000000 -0.00001866 -0.00000386 0.00000000
|
|
68 -0.00000000 -0.00000306 0.00000000 0.00000000 -0.00629837
|
|
69 0.00000000 0.00000000 -0.00000419 -0.00000087 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -0.01491562
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.05570357
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.02854879
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00231175
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.03462297
|
|
5 0.00000000 0.00000000 0.00007205 -0.00000088 0.00000000
|
|
6 0.00000000 0.00000000 -0.00000088 -0.00007205 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.01997083
|
|
8 0.00000000 0.00000000 -0.00014117 0.00000172 0.00000000
|
|
9 0.00000000 0.00000000 0.00000172 0.00014117 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.05090019
|
|
11 0.00000000 0.00000000 0.00004697 -0.00000057 0.00000000
|
|
12 0.00000000 0.00000000 -0.00000057 -0.00004697 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.01418315
|
|
14 -0.00327759 1.05949549 -0.00000000 0.00000000 0.61030949
|
|
15 -1.22340002 -0.00378463 0.00000000 -0.00000000 0.00000000
|
|
16 0.00000000 -0.00000000 -1.22330582 0.01494574 0.00000000
|
|
17 0.00327759 -1.05949549 0.00000000 -0.00000000 0.61030949
|
|
18 -0.00000000 -0.00000000 0.01494574 1.22330582 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -1.22262009
|
|
20 0.00158963 -0.51385391 0.00000000 -0.00000000 -0.29478572
|
|
21 0.59334739 0.00183554 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.59330396 -0.00724869 0.00000000
|
|
23 -0.00158963 0.51385391 -0.00000000 0.00000000 -0.29478572
|
|
24 0.00000000 0.00000000 -0.00724869 -0.59330396 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.59590934
|
|
26 0.00000000 0.00000000 0.00003850 -0.00000047 0.00000000
|
|
27 0.00000000 0.00000000 -0.00000021 -0.00001722 0.00000000
|
|
28 -0.00000001 0.00000338 0.00000000 0.00000000 0.00789703
|
|
29 0.00000000 0.00000000 0.00001722 -0.00000021 0.00000000
|
|
30 -0.00000390 -0.00000001 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00001163 -0.00000014 0.00000000
|
|
32 0.00000000 0.00000000 -0.00000047 -0.00003850 0.00000000
|
|
33 0.00000001 -0.00000338 0.00000000 0.00000000 0.00789703
|
|
34 0.00000000 0.00000000 -0.00000014 -0.00001163 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.01851007
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.10293951
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.05788062
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.02409297
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.07448614
|
|
40 0.00000000 0.00000000 -0.00510017 0.00006231 0.00000000
|
|
41 0.00000000 0.00000000 0.00006231 0.00510017 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.04783327
|
|
43 0.00000000 0.00000000 0.01066067 -0.00013025 0.00000000
|
|
44 0.00000000 0.00000000 -0.00013025 -0.01066067 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.10457675
|
|
46 0.00000000 0.00000000 -0.00288409 0.00003524 0.00000000
|
|
47 0.00000000 0.00000000 0.00003524 0.00288409 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.02848428
|
|
49 0.00000047 -0.00015272 0.00000000 0.00000000 -0.03217929
|
|
50 0.00017634 0.00000055 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00432656 0.00005286 0.00000000
|
|
52 -0.00000047 0.00015272 0.00000000 0.00000000 -0.03217929
|
|
53 0.00000000 0.00000000 0.00005286 0.00432656 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.06289469
|
|
55 -0.00000024 0.00007616 0.00000000 0.00000000 0.00683421
|
|
56 -0.00008795 -0.00000027 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00215603 -0.00002634 0.00000000
|
|
58 0.00000024 -0.00007616 0.00000000 0.00000000 0.00683421
|
|
59 0.00000000 0.00000000 -0.00002634 -0.00215603 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.04078604
|
|
61 0.00000000 0.00000000 -0.00329728 0.00004028 0.00000000
|
|
62 0.00000000 0.00000000 0.00001802 0.00147459 0.00000000
|
|
63 0.00000000 -0.00000032 0.00000000 0.00000000 0.01487037
|
|
64 0.00000000 0.00000000 -0.00147459 0.00001802 0.00000000
|
|
65 0.00000037 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.00148210 0.00001811 0.00000000
|
|
67 0.00000000 0.00000000 0.00004028 0.00329728 0.00000000
|
|
68 -0.00000000 0.00000032 0.00000000 0.00000000 0.01487037
|
|
69 0.00000000 0.00000000 0.00001811 0.00148210 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.03372944
|
|
61 62 63 64 65
|
|
1 2.75707630 3.56118200 -0.00000000 0.00000000 14.14060756
|
|
2 -0.67165960 -0.80700964 0.00000000 -0.00000000 -3.17419336
|
|
3 -1.77947179 -2.38533235 0.00000000 -0.00000000 -9.34513032
|
|
4 -0.76284968 -0.90268833 0.00000000 -0.00000000 -3.73909772
|
|
5 0.00000000 0.00000000 -0.11094039 -0.11173410 0.00000000
|
|
6 0.00000000 0.00000000 -0.11173410 0.11094039 0.00000000
|
|
7 -0.10557705 -0.60350440 0.00000000 0.00000000 0.09732175
|
|
8 0.00000000 0.00000000 0.77370571 0.77924111 0.00000000
|
|
9 0.00000000 0.00000000 0.77924111 -0.77370571 0.00000000
|
|
10 0.72780485 4.32213223 0.00000000 -0.00000000 -0.67177467
|
|
11 0.00000000 0.00000000 -0.05335662 -0.05373835 0.00000000
|
|
12 0.00000000 0.00000000 -0.05373835 0.05335662 0.00000000
|
|
13 -0.06963759 -0.27821929 0.00000000 0.00000000 0.04983617
|
|
14 -0.09432113 -0.12913565 0.00000000 0.00000000 -0.56914855
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00145774 -0.00146817 0.00000000
|
|
17 -0.09432113 -0.12913565 0.00000000 0.00000000 -0.56914855
|
|
18 0.00000000 0.00000000 -0.00146817 0.00145774 0.00000000
|
|
19 -0.08641241 -0.15087764 0.00000000 0.00000000 -0.56798202
|
|
20 0.17454289 0.22723472 0.00000000 0.00000000 0.92118988
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00116503 0.00117337 0.00000000
|
|
23 0.17454289 0.22723472 0.00000000 0.00000000 0.92118988
|
|
24 0.00000000 0.00000000 0.00117337 -0.00116503 0.00000000
|
|
25 0.16518564 0.24548902 0.00000000 0.00000000 0.92083528
|
|
26 0.00000000 0.00000000 -0.43854717 -0.44168471 0.00000000
|
|
27 0.00000000 0.00000000 -0.19752741 0.19612426 0.00000000
|
|
28 -0.18183322 -1.10338741 0.00000000 0.00000000 0.16973240
|
|
29 0.00000000 0.00000000 -0.19612426 -0.19752741 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.19590102 -0.19730257 0.00000000
|
|
32 0.00000000 0.00000000 -0.44168471 0.43854717 0.00000000
|
|
33 -0.18183322 -1.10338741 0.00000000 0.00000000 0.16973240
|
|
34 0.00000000 0.00000000 -0.19730257 0.19590102 0.00000000
|
|
35 -0.40727423 -2.46390951 0.00000000 0.00000000 0.37921869
|
|
36 14.47816747 -3.02622944 0.00000000 0.00000000 -1.70711494
|
|
37 -3.27903349 0.64095098 0.00000000 0.00000000 0.34727743
|
|
38 -9.58169650 2.03913220 0.00000000 0.00000000 1.16536170
|
|
39 -3.82494578 0.78697606 0.00000000 0.00000000 0.41562305
|
|
40 0.00000000 0.00000000 -0.96022518 -0.96709501 0.00000000
|
|
41 0.00000000 0.00000000 -0.96709501 0.96022518 -0.00000000
|
|
42 0.18371461 1.06890956 0.00000000 0.00000000 -0.34797928
|
|
43 0.00000000 0.00000000 6.34505415 6.39044918 0.00000000
|
|
44 0.00000000 -0.00000000 6.39044918 -6.34505415 0.00000000
|
|
45 -1.29660503 -7.14055619 -0.00000000 0.00000000 2.34608603
|
|
46 0.00000000 0.00000000 -0.46939166 -0.47274988 0.00000000
|
|
47 0.00000000 0.00000000 -0.47274988 0.46939166 0.00000000
|
|
48 0.08850706 0.52422016 0.00000000 0.00000000 -0.14950965
|
|
49 -0.56993209 0.13600334 0.00000000 0.00000000 0.07753504
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00016022 0.00016137 0.00000000
|
|
52 -0.56993209 0.13600334 0.00000000 0.00000000 0.07753504
|
|
53 0.00000000 0.00000000 0.00016137 -0.00016022 0.00000000
|
|
54 -0.57303722 0.13208819 0.00000000 0.00000000 0.08947279
|
|
55 0.94821270 -0.20746511 0.00000000 0.00000000 -0.11344973
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.00012955 -0.00013047 0.00000000
|
|
58 0.94821270 -0.20746511 0.00000000 0.00000000 -0.11344973
|
|
59 0.00000000 0.00000000 -0.00013047 0.00012955 0.00000000
|
|
60 0.95036759 -0.20526776 0.00000000 0.00000000 -0.12613971
|
|
61 0.00000000 0.00000000 -3.55774086 -3.58319435 0.00000000
|
|
62 0.00000000 0.00000000 -1.60245323 1.59107008 -0.00000000
|
|
63 0.32977001 1.79475899 0.00000000 0.00000000 -0.59338035
|
|
64 0.00000000 0.00000000 -1.59107008 -1.60245323 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -1.59104487 -1.60242783 0.00000000
|
|
67 0.00000000 0.00000000 -3.58319435 3.55774086 -0.00000000
|
|
68 0.32977001 1.79475899 0.00000000 0.00000000 -0.59338035
|
|
69 0.00000000 0.00000000 -1.60242783 1.59104487 -0.00000000
|
|
70 0.73684239 4.01235468 0.00000000 -0.00000000 -1.32542594
|
|
66 67 68 69 70
|
|
1 0.00000000 0.00000000 -1.05773342 52.96712817 -55.39886136
|
|
2 0.00000000 0.00000000 0.19935006 -25.69373338 26.81585804
|
|
3 0.00000000 0.00000000 0.79914676 -31.18179562 32.74622592
|
|
4 0.00000000 0.00000000 0.21257796 -14.93796599 15.49323704
|
|
5 0.58232680 1.21676505 0.00000000 0.00000000 0.00000000
|
|
6 -1.21676505 0.58232680 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -1.26586057 0.01754438 -0.04600348
|
|
8 -3.87052400 -8.08741475 0.00000000 0.00000000 0.00000000
|
|
9 8.08741475 -3.87052400 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 8.06078449 -0.06739360 0.17068086
|
|
11 0.28655536 0.59875408 0.00000000 0.00000000 0.00000000
|
|
12 -0.59875408 0.28655536 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.64188040 -0.01666997 -0.06269198
|
|
14 0.00000000 0.00000000 0.04017914 3.43665435 -3.58531870
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00012611 -0.00026350 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.04017914 3.43665435 -3.58531870
|
|
18 0.00026350 -0.00012611 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.06119922 3.44016776 -3.57824079
|
|
20 0.00000000 0.00000000 -0.07677318 3.19544276 -3.35955556
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00010150 0.00021209 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.07677318 3.19544276 -3.35955556
|
|
24 -0.00021209 0.00010150 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.09461048 3.18630597 -3.37455487
|
|
26 2.17086210 4.53599104 0.00000000 0.00000000 0.00000000
|
|
27 -2.02855686 0.97083904 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -2.00044499 0.01676667 -0.03113245
|
|
29 0.97083904 2.02855686 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.97085852 2.02859756 0.00000000 0.00000000 0.00000000
|
|
32 -4.53599104 2.17086210 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -2.00044499 0.01676667 -0.03113245
|
|
34 -2.02859756 0.97085852 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -4.47645157 0.03701668 -0.07102506
|
|
36 0.00000000 0.00000000 0.34393561 54.81837443 53.56410057
|
|
37 0.00000000 0.00000000 -0.04779793 -26.59043134 -25.92654463
|
|
38 0.00000000 0.00000000 -0.32946370 -32.27690937 -31.66670211
|
|
39 0.00000000 0.00000000 -0.01535786 -15.45547114 -14.97574497
|
|
40 -0.08259794 -0.17258743 0.00000000 0.00000000 0.00000000
|
|
41 0.17258743 -0.08259794 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.86117184 -0.01908743 -0.04538612
|
|
43 0.52411719 1.09513676 0.00000000 0.00000000 0.00000000
|
|
44 -1.09513676 0.52411719 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 5.24203791 0.07309682 0.16831283
|
|
46 -0.04115735 -0.08599780 0.00000000 0.00000000 0.00000000
|
|
47 0.08599780 -0.04115735 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.44592888 0.01453131 -0.06322413
|
|
49 0.00000000 0.00000000 -0.00564345 3.55666102 3.46649504
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00085221 -0.00178068 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.00564345 3.55666102 3.46649504
|
|
53 0.00178068 -0.00085221 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.03255580 3.55992577 3.45930919
|
|
55 0.00000000 0.00000000 0.02766259 3.30807925 3.24919333
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00069406 0.00145024 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.02766259 3.30807925 3.24919333
|
|
59 -0.00145024 0.00069406 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.05065094 3.29946598 3.26448812
|
|
61 -0.29109567 -0.60824101 0.00000000 0.00000000 0.00000000
|
|
62 0.27201365 -0.13018194 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -1.28683328 -0.01779959 -0.03055049
|
|
64 -0.13018194 -0.27201365 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.13031723 -0.27229633 0.00000000 0.00000000 0.00000000
|
|
67 0.60824101 -0.29109567 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -1.28683328 -0.01779959 -0.03055049
|
|
69 0.27229633 -0.13031723 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -2.88180848 -0.03937913 -0.06973534
|
|
|
|
-----------------------------------------
|
|
UHF spin-down orbital coefficients
|
|
-----------------------------------------
|
|
1 2 3 4 5
|
|
1 -1.01071650 -0.05480850 -0.05995085 0.05279451 0.06406203
|
|
2 0.00495637 0.00438479 -0.23678559 0.05215978 0.00878587
|
|
3 0.00768793 -0.09678638 2.55491231 -0.41745255 -0.22330268
|
|
4 0.00264467 0.04767528 -2.00037013 0.37687964 0.07956889
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.00000720 0.01390176 0.01407551 -0.14896501 -0.63337385
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00002396 -0.04839144 -0.05060558 0.53492510 2.28974854
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00002659 0.03430109 0.02580018 -0.31976841 -1.23570231
|
|
14 -0.00072138 0.00118026 -0.02337698 0.00283931 0.00288558
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00072138 0.00118026 -0.02337698 0.00283931 0.00288558
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00072068 0.00129783 -0.02338847 0.00277552 0.00493357
|
|
20 -0.00095045 0.01076305 -0.26962960 0.04284793 0.03282808
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00095045 0.01076305 -0.26962960 0.04284793 0.03282808
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.00095547 0.01118693 -0.26939667 0.04106551 0.02481047
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -0.00000417 0.00889529 0.00924108 -0.09663212 -0.41318046
|
|
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 -0.00000417 0.00889529 0.00924108 -0.09663212 -0.41318046
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -0.00001010 0.01980290 0.02063984 -0.21576595 -0.92467543
|
|
36 -0.00601613 0.72275098 0.10901019 0.05694828 0.08653346
|
|
37 0.00029373 0.01980142 0.00098563 -0.35219930 0.10316195
|
|
38 0.00357964 -0.77124848 -0.00838373 2.87623036 -0.98955661
|
|
39 -0.00048762 0.86771741 0.14738305 -1.78626652 0.60754452
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00008859 0.00076305 0.04152807 0.02262582 0.49215907
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -0.00004261 -0.00278781 -0.14958918 -0.08284004 -1.79338483
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00004110 0.00052184 0.09244847 0.02908680 0.86451107
|
|
49 -0.00003232 0.00880132 -0.00051450 -0.02424072 0.00844933
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00003232 0.00880132 -0.00051450 -0.02424072 0.00844933
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.00006365 0.00880277 -0.00093796 -0.02361397 0.01178019
|
|
55 -0.00029259 0.07800312 -0.00286257 -0.31065693 0.11553000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00029259 0.07800312 -0.00286257 -0.31065693 0.11553000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.00024152 0.07801752 -0.00261847 -0.31291167 0.10161120
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00003630 0.00052720 0.02683408 0.01499577 0.32264822
|
|
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 0.00003630 0.00052720 0.02683408 0.01499577 0.32264822
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00009525 0.00117948 0.05961153 0.03379690 0.72250126
|
|
6 7 8 9 10
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.01350763
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.03439185
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.45141094
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.47146943
|
|
5 0.44374390 -0.57700201 -0.01278323 -0.06600176 0.00000000
|
|
6 0.57700201 0.44374390 0.06600176 -0.01278323 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.30298797
|
|
8 -1.60186001 2.08290512 0.04599392 0.23747359 0.00000000
|
|
9 -2.08290512 -1.60186001 -0.23747359 0.04599392 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -1.08726411
|
|
11 0.90752542 -1.18005902 -0.03067173 -0.15836281 0.00000000
|
|
12 1.18005902 0.90752542 0.15836281 -0.03067173 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.78253342
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00201385
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00002982 0.00003878 -0.00008645 -0.00044634 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00201385
|
|
18 -0.00003878 -0.00002982 0.00044634 -0.00008645 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00669755
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.04884595
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00012539 -0.00016304 0.00037204 0.00192091 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 0.04884595
|
|
24 0.00016304 0.00012539 -0.00192091 0.00037204 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.02735196
|
|
26 0.64583826 -0.83978613 -0.01840056 -0.09500491 0.00000000
|
|
27 0.37556377 0.28882765 0.04248749 -0.00822898 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.19449004
|
|
29 0.28882765 -0.37556377 -0.00822898 -0.04248749 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.28883686 -0.37557574 -0.00820382 -0.04235758 0.00000000
|
|
32 0.83978613 0.64583826 0.09500491 -0.01840056 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 0.19449004
|
|
34 0.37557574 0.28883686 0.04235758 -0.00820382 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.43365509
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.01319766
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.06242656
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.53563925
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.46695398
|
|
40 0.06163143 -0.08013960 0.15007100 0.77483942 0.00000000
|
|
41 0.08013960 0.06163143 -0.77483942 0.15007100 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.60440115
|
|
43 -0.22446986 0.29187908 -0.54660110 -2.82218462 0.00000000
|
|
44 -0.29187908 -0.22446986 2.82218462 -0.54660110 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -2.20080177
|
|
46 0.10829081 -0.14081098 0.29287326 1.51214917 0.00000000
|
|
47 0.14081098 0.10829081 -1.51214917 0.29287326 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 1.28326122
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00248919
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00025081 -0.00032613 -0.00000857 -0.00004424 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00248919
|
|
53 0.00032613 0.00025081 0.00004424 -0.00000857 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00560814
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.05532947
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00103669 0.00134801 0.00003622 0.00018703 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.05532947
|
|
59 -0.00134801 -0.00103669 -0.00018703 0.00003622 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.04127461
|
|
61 0.09046550 -0.11763266 0.21889401 1.13018305 0.00000000
|
|
62 0.05260693 0.04045740 -0.50543322 0.09789238 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.39243940
|
|
64 0.04045740 -0.05260693 0.09789238 0.50543322 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.04053065 -0.05270217 0.09789008 0.50542139 0.00000000
|
|
67 0.11763266 0.09046550 -1.13018305 0.21889401 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 0.39243940
|
|
69 0.05270217 0.04053065 -0.50542139 0.09789008 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.87675709
|
|
11 12 13 14 15
|
|
1 2.91483525 0.04543044 -0.03751173 0.00000000 0.00000000
|
|
2 1.32225879 0.07573166 0.03496471 0.00000000 0.00000000
|
|
3 -6.85479261 -0.23060335 0.05018830 0.00000000 0.00000000
|
|
4 0.76843647 0.15777593 -0.01644080 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.44362795 2.17996413
|
|
6 0.00000000 0.00000000 0.00000000 -2.17996413 0.44362795
|
|
7 -0.03281028 0.07037139 1.82564931 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 -1.68443273 -8.27721265
|
|
9 0.00000000 0.00000000 0.00000000 8.27721265 -1.68443273
|
|
10 0.12336936 -0.25582216 -6.92073694 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.32121117 1.57841456
|
|
12 0.00000000 0.00000000 0.00000000 -1.57841456 0.32121117
|
|
13 0.01088719 0.12487194 1.28528219 0.00000000 0.00000000
|
|
14 0.06061314 -0.00154242 0.00032998 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.00008360 -0.00041083
|
|
17 0.06061314 -0.00154242 0.00032998 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00041083 -0.00008360
|
|
19 0.06222376 0.00037045 -0.00996091 0.00000000 0.00000000
|
|
20 0.98184700 0.02788173 -0.03511907 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00053828 0.00264510
|
|
23 0.98184700 0.02788173 -0.03511907 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.00264510 0.00053828
|
|
25 0.97359350 0.01348236 0.02925641 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.65563598 3.22176027
|
|
27 0.00000000 0.00000000 0.00000000 -1.44081499 0.29320932
|
|
28 -0.02250971 0.04617035 1.20801715 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.29320932 1.44081499
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.29321662 1.44085086
|
|
32 0.00000000 0.00000000 0.00000000 -3.22176027 0.65563598
|
|
33 -0.02250971 0.04617035 1.20801715 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -1.44085086 0.29321662
|
|
35 -0.05065927 0.10368994 2.70237514 0.00000000 0.00000000
|
|
36 0.16326149 -3.00337984 -0.07258704 0.00000000 0.00000000
|
|
37 0.01728176 -1.29906396 0.00486738 0.00000000 0.00000000
|
|
38 -0.24243289 6.76003774 0.21192087 0.00000000 0.00000000
|
|
39 -0.12114789 -0.63991525 -0.10403177 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.07237460 0.35564491
|
|
41 0.00000000 0.00000000 0.00000000 -0.35564491 0.07237460
|
|
42 0.08580448 -0.02560931 -1.27516032 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 -0.27244467 -1.33877858
|
|
44 0.00000000 0.00000000 0.00000000 1.33877858 -0.27244467
|
|
45 -0.31336557 0.09553441 4.79618210 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.04764612 0.23413049
|
|
47 0.00000000 0.00000000 0.00000000 -0.23413049 0.04764612
|
|
48 0.14783091 0.01911064 -0.80491251 0.00000000 0.00000000
|
|
49 0.00564047 -0.06282300 0.00200055 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00047747 0.00234624
|
|
52 0.00564047 -0.06282300 0.00200055 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.00234624 0.00047747
|
|
54 0.00429577 -0.06448497 -0.01586136 0.00000000 0.00000000
|
|
55 0.04256990 -1.01176181 -0.06754898 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.00293747 -0.01443459
|
|
58 0.04256990 -1.01176181 -0.06754898 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.01443459 -0.00293747
|
|
60 0.05295678 -1.00302214 0.04099219 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.10718733 0.52671285
|
|
62 0.00000000 0.00000000 0.00000000 -0.23555315 0.04793563
|
|
63 0.05633320 -0.01769000 -0.84501018 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.04793563 0.23555315
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.04798277 0.23578478
|
|
67 0.00000000 0.00000000 0.00000000 -0.52671285 0.10718733
|
|
68 0.05633320 -0.01769000 -0.84501018 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -0.23578478 0.04798277
|
|
70 0.12646326 -0.03981814 -1.89150583 0.00000000 0.00000000
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 0.08639538 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.05797204 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.36656106 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.19058422 0.00000000 0.00000000
|
|
5 -0.14708751 -0.32585168 0.00000000 0.00000000 0.00000000
|
|
6 -0.32585168 0.14708751 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 1.23275675 0.00000000 0.00000000
|
|
8 0.56080384 1.24238201 0.00000000 0.00000000 0.00000000
|
|
9 1.24238201 -0.56080384 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -4.71404019 0.00000000 0.00000000
|
|
11 -0.11239150 -0.24898756 0.00000000 0.00000000 0.00000000
|
|
12 -0.24898756 0.11239150 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 1.00175397 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 -0.02099018 0.12726013 0.00017202
|
|
15 0.00000000 0.00000000 0.00000000 0.00019863 -0.14694734
|
|
16 -0.00155646 -0.00344812 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.02099018 -0.12726013 -0.00017202
|
|
18 -0.00344812 0.00155646 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.05010041 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.20995987 -0.93424926 -0.00126281
|
|
21 0.00000000 0.00000000 0.00000000 -0.00145817 1.07877812
|
|
22 0.01034519 0.02291831 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.20995987 0.93424926 0.00126281
|
|
24 0.02291831 -0.01034519 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.28476718 0.00000000 0.00000000
|
|
26 -0.21666771 -0.47999683 0.00000000 0.00000000 0.00000000
|
|
27 -0.21466111 0.09689675 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.81058619 0.00000322 0.00000000
|
|
29 -0.09689675 -0.21466111 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000001 -0.00000371
|
|
31 -0.09679425 -0.21443404 0.00000000 0.00000000 0.00000000
|
|
32 -0.47999683 0.21666771 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.81058619 -0.00000322 -0.00000000
|
|
34 -0.21443404 0.09679425 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 1.80989540 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 -0.05906388 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.06179824 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.30008704 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.16520361 0.00000000 0.00000000
|
|
40 0.92836851 2.05666984 0.00000000 0.00000000 0.00000000
|
|
41 2.05666984 -0.92836851 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 1.77704641 0.00000000 0.00000000
|
|
43 -3.50752087 -7.77041902 0.00000000 0.00000000 0.00000000
|
|
44 -7.77041902 3.50752087 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -6.73607618 0.00000000 0.00000000
|
|
46 0.64961115 1.43912212 0.00000000 0.00000000 0.00000000
|
|
47 1.43912212 -0.64961115 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 1.32954170 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.01227688 0.00004420 0.00000006
|
|
50 0.00000000 0.00000000 0.00000000 0.00000007 -0.00005104
|
|
51 -0.00021104 -0.00046752 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.01227688 -0.00004420 -0.00000006
|
|
53 -0.00046752 0.00021104 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.02826678 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.12494076 -0.00030880 -0.00000042
|
|
56 0.00000000 0.00000000 0.00000000 -0.00000048 0.00035657
|
|
57 0.00133842 0.00296508 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.12494076 0.00030880 0.00000042
|
|
59 0.00296508 -0.00133842 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.14588594 0.00000000 0.00000000
|
|
61 1.37045216 3.03604395 0.00000000 0.00000000 0.00000000
|
|
62 1.35776013 -0.61288484 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 1.17013555 0.00000029 0.00000000
|
|
64 0.61288484 1.35776013 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000033
|
|
66 0.61286797 1.35772276 0.00000000 0.00000000 0.00000000
|
|
67 3.03604395 -1.37045216 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 1.17013555 -0.00000029 -0.00000000
|
|
69 1.35772276 -0.61286797 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 2.61448782 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 0.01194887 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.02700546 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.10609793 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.07389541 0.00000000 0.00000000
|
|
5 -0.00242647 0.00035464 0.00000000 0.00000000 0.00000000
|
|
6 -0.00035464 -0.00242647 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.23829398 0.00000000 0.00000000
|
|
8 0.00936385 -0.00136855 0.00000000 0.00000000 0.00000000
|
|
9 0.00136855 0.00936385 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.91553036 0.00000000 0.00000000
|
|
11 -0.00210428 0.00030755 0.00000000 0.00000000 0.00000000
|
|
12 -0.00030755 -0.00210428 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.21206278 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.06763904 -0.00004082 -0.00000010
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000012 0.00004713
|
|
16 0.14534912 -0.02124322 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.06763904 0.00004082 0.00000010
|
|
18 0.02124322 0.14534912 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.13544884 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.48995895 0.00030834 0.00000077
|
|
21 0.00000000 0.00000000 0.00000000 0.00000088 -0.00035604
|
|
22 -1.06711410 0.15596197 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.48995895 -0.00030834 -0.00000077
|
|
24 -0.15596197 -1.06711410 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 1.01169823 0.00000000 0.00000000
|
|
26 -0.00354344 0.00051788 0.00000000 0.00000000 0.00000000
|
|
27 -0.00023160 -0.00158467 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.15622187 -0.00000030 -0.00000000
|
|
29 -0.00158467 0.00023160 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000034
|
|
31 -0.00157222 0.00022978 0.00000000 0.00000000 0.00000000
|
|
32 -0.00051788 -0.00354344 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.15622187 0.00000030 0.00000000
|
|
34 -0.00022978 -0.00157222 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.34827951 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 -0.08478203 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.06617423 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.31620350 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.13305726 0.00000000 0.00000000
|
|
40 0.05120568 -0.00748387 0.00000000 0.00000000 0.00000000
|
|
41 0.00748387 0.05120568 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.54312626 0.00000000 0.00000000
|
|
43 -0.19598470 0.02864376 0.00000000 0.00000000 0.00000000
|
|
44 -0.02864376 -0.19598470 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -2.07705347 0.00000000 0.00000000
|
|
46 0.04068547 -0.00594630 0.00000000 0.00000000 0.00000000
|
|
47 0.00594630 0.04068547 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.43886603 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.01844160 0.13012190 0.00032285
|
|
50 0.00000000 0.00000000 0.00000000 0.00037280 -0.15025183
|
|
51 -0.00111102 0.00016238 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.01844160 -0.13012190 -0.00032285
|
|
53 -0.00016238 -0.00111102 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.04292166 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.17926923 -0.93563851 -0.00232146
|
|
56 0.00000000 0.00000000 0.00000000 -0.00268060 1.08038229
|
|
57 0.00775710 -0.00113372 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.17926923 0.93563851 0.00232146
|
|
59 0.00113372 0.00775710 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.25411672 0.00000000 0.00000000
|
|
61 0.07476031 -0.01092645 0.00000000 0.00000000 0.00000000
|
|
62 0.00488646 0.03343383 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.35503447 -0.00000313 -0.00000001
|
|
64 0.03343383 -0.00488646 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000362
|
|
66 0.03342797 -0.00488560 0.00000000 0.00000000 0.00000000
|
|
67 0.01092645 0.07476031 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.35503447 0.00000313 0.00000001
|
|
69 0.00488560 0.03342797 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.79331280 0.00000000 0.00000000
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 -0.08040052 -1.75367783 0.31526707
|
|
2 0.00000000 0.00000000 -0.07353181 0.21048398 0.00787239
|
|
3 0.00000000 0.00000000 0.32952976 5.96483990 -1.37161858
|
|
4 0.00000000 0.00000000 -0.15649719 -0.49581885 0.21791990
|
|
5 0.02898794 0.00187037 0.00000000 0.00000000 0.00000000
|
|
6 -0.00187037 0.02898794 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -0.39748450 0.00307915 0.04662974
|
|
8 -0.11290526 -0.00728489 0.00000000 0.00000000 0.00000000
|
|
9 0.00728489 -0.11290526 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 1.54224825 0.00961919 -0.16749553
|
|
11 0.02590156 0.00167123 0.00000000 0.00000000 0.00000000
|
|
12 -0.00167123 0.02590156 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.36086840 -0.01608005 0.06654754
|
|
14 0.00000000 0.00000000 -0.01660807 -0.12501632 0.02516925
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00102732 -0.00006629 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.01660807 -0.12501632 0.02516925
|
|
18 0.00006629 -0.00102732 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.02834661 -0.12518579 0.02261961
|
|
20 0.00000000 0.00000000 0.08123924 -1.84893086 0.41561624
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00777664 0.00050177 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.08123924 -1.84893086 0.41561624
|
|
24 -0.00050177 0.00777664 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.26020992 -1.85226986 0.44129338
|
|
26 0.04201048 0.00271061 0.00000000 0.00000000 0.00000000
|
|
27 -0.00121222 0.01878766 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -0.25859021 0.00337578 0.03083704
|
|
29 0.01878766 0.00121222 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.01878137 0.00121182 0.00000000 0.00000000 0.00000000
|
|
32 -0.00271061 0.04201048 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -0.25859021 0.00337578 0.03083704
|
|
34 -0.00121182 0.01878137 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -0.57733680 0.00815088 0.06914210
|
|
36 0.00000000 0.00000000 0.04078244 -0.47006640 -1.72043796
|
|
37 0.00000000 0.00000000 0.05484696 0.11438486 0.25510458
|
|
38 0.00000000 0.00000000 -0.21572138 1.30799839 5.86576701
|
|
39 0.00000000 0.00000000 0.11740091 -0.00937167 -0.51411540
|
|
40 -0.00211644 -0.00013656 0.00000000 0.00000000 0.00000000
|
|
41 0.00013656 -0.00211644 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -0.37838770 -0.04152217 0.01669420
|
|
43 0.00811893 0.00052385 0.00000000 0.00000000 0.00000000
|
|
44 -0.00052385 0.00811893 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 1.44842963 0.14116901 -0.07823169
|
|
46 -0.00175358 -0.00011314 0.00000000 0.00000000 0.00000000
|
|
47 0.00011314 -0.00175358 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.32011728 -0.05375014 0.04244314
|
|
49 0.00000000 0.00000000 0.07108374 -0.03031799 -0.12027460
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.14991620 -0.00967292 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.07108374 -0.03031799 -0.12027460
|
|
53 0.00967292 -0.14991620 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.14084420 -0.03314298 -0.11926010
|
|
55 0.00000000 0.00000000 -0.49005491 -0.41886557 -1.82675975
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 1.07800754 0.06955540 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.49005491 -0.41886557 -1.82675975
|
|
59 -0.06955540 1.07800754 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 1.04467639 -0.39462653 -1.84097005
|
|
61 -0.00308614 -0.00019912 0.00000000 0.00000000 0.00000000
|
|
62 0.00008905 -0.00138016 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.24728788 -0.02805526 0.00976023
|
|
64 -0.00138016 -0.00008905 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.00137149 -0.00008849 0.00000000 0.00000000 0.00000000
|
|
67 0.00019912 -0.00308614 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.24728788 -0.02805526 0.00976023
|
|
69 0.00008849 -0.00137149 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -0.55199108 -0.06317771 0.02136666
|
|
31 32 33 34 35
|
|
1 -0.05991357 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.03522200 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 -0.01644790 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00980826 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 1.08193160 3.86192062 0.50652786 -0.77216730
|
|
6 0.00000000 -3.86192062 1.08193160 0.77216730 0.50652786
|
|
7 3.19195540 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 -3.36768133 -12.02083194 -1.58024049 2.40896921
|
|
9 0.00000000 12.02083194 -3.36768133 -2.40896921 -1.58024049
|
|
10 -9.91217716 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.34032275 1.21477129 0.16572235 -0.25263246
|
|
12 0.00000000 -1.21477129 0.34032275 0.25263246 0.16572235
|
|
13 0.96934745 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 -0.00114175 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.00003116 -0.00011123 0.00030333 -0.00046240
|
|
17 -0.00114175 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00011123 -0.00003116 0.00046240 0.00030333
|
|
19 -0.00370883 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.02189154 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 -0.00010886 -0.00038858 0.00103505 -0.00157787
|
|
23 0.02189154 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00038858 -0.00010886 0.00157787 0.00103505
|
|
25 0.01239954 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 1.61872615 5.77799179 0.75603596 -1.15252544
|
|
27 0.00000000 -2.58399648 0.72391634 0.51542505 0.33810956
|
|
28 2.13823852 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 0.72391634 2.58399648 0.33810956 -0.51542505
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.72396009 2.58415263 0.33766614 -0.51474908
|
|
32 0.00000000 -5.77799179 1.61872615 1.15252544 0.75603596
|
|
33 2.13823852 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 -2.58415263 0.72396009 0.51474908 0.33766614
|
|
35 4.78528939 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -0.06461103 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.01947292 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.04986570 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 -0.03218624 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.23628933 0.84342730 -2.19214075 3.34176958
|
|
41 0.00000000 -0.84342730 0.23628933 -3.34176958 -2.19214075
|
|
42 -2.36714802 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 -0.73395921 -2.61984419 6.82688466 -10.40712165
|
|
44 0.00000000 2.61984419 -0.73395921 10.40712165 6.82688466
|
|
45 7.32713161 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.07100021 0.25343301 -0.68865098 1.04980161
|
|
47 0.00000000 -0.25343301 0.07100021 -1.04980161 -0.68865098
|
|
48 -0.67501693 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 -0.00093330 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00013646 0.00048707 0.00006674 -0.00010174
|
|
52 -0.00093330 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 -0.00048707 0.00013646 0.00010174 0.00006674
|
|
54 -0.00483337 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.01536688 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00053235 0.00190022 0.00025375 -0.00038682
|
|
58 0.01536688 0.00000000 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 -0.00190022 0.00053235 0.00038682 0.00025375
|
|
60 -0.00153680 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.35529003 1.26819651 -3.28779243 5.01201610
|
|
62 0.00000000 -0.56715472 0.15889053 -2.24144174 -1.47034548
|
|
63 -1.59328015 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.15889053 0.56715472 -1.47034548 2.24144174
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.15909339 0.56787882 -1.47024228 2.24128442
|
|
67 0.00000000 -1.26819651 0.35529003 -5.01201610 -3.28779243
|
|
68 -1.59328015 0.00000000 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 -0.56787882 0.15909339 -2.24128442 -1.47024228
|
|
70 -3.56898113 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 37 38 39 40
|
|
1 0.02894715 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.05083916 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 -0.24747320 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.15125204 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 2.69660993 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 -8.45920719 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 0.96136219 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 -0.00125829 0.00000000 0.00000000 -0.00000421 0.00000001
|
|
15 0.00000000 0.00000000 0.00000000 0.00000001 0.00000487
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00125829 0.00000000 0.00000000 0.00000421 -0.00000001
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00590238 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.02467692 0.00000000 0.00000000 0.00000529 -0.00000001
|
|
21 0.00000000 0.00000000 0.00000000 -0.00000001 -0.00000611
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.02467692 0.00000000 0.00000000 -0.00000529 0.00000001
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.04998571 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.78982676 0.03425514 -0.00000000 0.00000000
|
|
27 0.00000000 0.04595811 -1.05966410 0.00000000 -0.00000000
|
|
28 1.79464201 -0.00000000 0.00000000 0.86602307 -0.00200949
|
|
29 0.00000000 -1.05966411 -0.04595811 -0.00000000 0.00000000
|
|
30 0.00000000 -0.00000000 0.00000000 -0.00232036 -0.99999731
|
|
31 0.00000000 0.00000031 0.00000001 0.00000000 -0.00000000
|
|
32 0.00000000 -0.03425514 0.78982676 -0.00000000 0.00000000
|
|
33 1.79464201 0.00000000 -0.00000000 -0.86602307 0.00200949
|
|
34 0.00000000 -0.00000001 0.00000031 0.00000000 -0.00000000
|
|
35 4.00190200 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -0.01223552 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 -0.05805457 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.24198715 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 -0.14859888 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 3.41434224 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 -10.69023397 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 1.16987857 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00142983 0.00000000 0.00000000 -0.00000032 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000037
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00142983 0.00000000 0.00000000 0.00000032 -0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.00441638 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.02887014 0.00000000 0.00000000 -0.00000018 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000020
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.02887014 0.00000000 0.00000000 0.00000018 -0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.05153780 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000049 0.00000002 0.00000000 0.00000000
|
|
62 0.00000000 0.00000003 -0.00000066 0.00000000 0.00000000
|
|
63 2.28172394 0.00000000 0.00000000 -0.00000641 0.00000001
|
|
64 0.00000000 -0.00000066 -0.00000003 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000002 0.00000740
|
|
66 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 -0.00000002 0.00000049 0.00000000 0.00000000
|
|
68 2.28172394 0.00000000 0.00000000 0.00000641 -0.00000001
|
|
69 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
70 5.09290568 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 -0.00529513 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00455362 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.00586008 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.00694155 0.00000000 0.00000000
|
|
5 0.00007980 0.00000200 0.00000000 0.00109704 0.00341474
|
|
6 -0.00000200 0.00007980 0.00000000 -0.00341474 0.00109704
|
|
7 0.00000000 0.00000000 0.01003126 0.00000000 0.00000000
|
|
8 -0.00024702 -0.00000618 0.00000000 -0.00335950 -0.01045702
|
|
9 0.00000618 -0.00024702 0.00000000 0.01045702 -0.00335950
|
|
10 0.00000000 0.00000000 -0.03178176 0.00000000 0.00000000
|
|
11 0.00003965 0.00000099 0.00000000 0.00052310 0.00162823
|
|
12 -0.00000099 0.00003965 0.00000000 -0.00162823 0.00052310
|
|
13 0.00000000 0.00000000 0.00584625 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 -0.00032794 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00000394 -0.00000010 0.00000000 0.00000146 0.00000455
|
|
17 0.00000000 0.00000000 -0.00032794 0.00000000 0.00000000
|
|
18 0.00000010 -0.00000394 0.00000000 -0.00000455 0.00000146
|
|
19 0.00000000 0.00000000 0.00016662 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00112814 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000837 0.00000021 0.00000000 0.00000082 0.00000255
|
|
23 0.00000000 0.00000000 0.00112814 0.00000000 0.00000000
|
|
24 -0.00000021 0.00000837 0.00000000 -0.00000255 0.00000082
|
|
25 0.00000000 0.00000000 0.00151543 0.00000000 0.00000000
|
|
26 -0.61207220 -0.01531507 0.00000000 0.00147424 0.00458882
|
|
27 0.00684910 -0.27372661 0.00000000 -0.00205218 0.00065930
|
|
28 -0.00000000 -0.00000000 -0.66461528 0.00000000 0.00000000
|
|
29 -0.27372661 -0.00684910 0.00000000 0.00065930 0.00205218
|
|
30 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 1.09515077 0.02740251 0.00000000 0.00067440 0.00209917
|
|
32 0.01531507 -0.61207220 0.00000000 -0.00458882 0.00147424
|
|
33 0.00000000 0.00000000 -0.66461528 0.00000000 0.00000000
|
|
34 -0.02740251 1.09515077 0.00000000 -0.00209917 0.00067440
|
|
35 0.00000000 0.00000000 1.01386026 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 -0.00578077 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.00336515 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.02572361 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.01057651 0.00000000 0.00000000
|
|
40 -0.00376689 -0.00009425 0.00000000 -0.00002360 -0.00007347
|
|
41 0.00009425 -0.00376689 0.00000000 0.00007347 -0.00002360
|
|
42 0.00000000 0.00000000 0.02895796 0.00000000 0.00000000
|
|
43 0.01158076 0.00028977 0.00000000 0.00007303 0.00022730
|
|
44 -0.00028977 0.01158076 0.00000000 -0.00022730 0.00007303
|
|
45 0.00000000 0.00000000 -0.08947958 0.00000000 0.00000000
|
|
46 -0.00177751 -0.00004448 0.00000000 -0.00001134 -0.00003530
|
|
47 0.00004448 -0.00177751 0.00000000 0.00003530 -0.00001134
|
|
48 0.00000000 0.00000000 0.01414619 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 -0.00041288 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000542 0.00000014 0.00000000 -0.00000155 -0.00000483
|
|
52 0.00000000 0.00000000 -0.00041288 0.00000000 0.00000000
|
|
53 -0.00000014 0.00000542 0.00000000 0.00000483 -0.00000155
|
|
54 0.00000000 0.00000000 -0.00067942 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.00397144 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000263 0.00000007 0.00000000 0.00000241 0.00000749
|
|
58 0.00000000 0.00000000 -0.00397144 0.00000000 0.00000000
|
|
59 -0.00000007 0.00000263 0.00000000 -0.00000749 0.00000241
|
|
60 0.00000000 0.00000000 -0.00416675 0.00000000 0.00000000
|
|
61 -0.00515259 -0.00012893 0.00000000 0.18727340 0.58292038
|
|
62 0.00005766 -0.00230431 0.00000000 -0.26069410 0.08375254
|
|
63 0.00000000 0.00000000 0.01944699 0.00000000 0.00000000
|
|
64 -0.00230431 -0.00005766 0.00000000 0.08375254 0.26069414
|
|
65 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000000
|
|
66 -0.00225495 -0.00005642 0.00000000 -0.33507842 -1.04298875
|
|
67 0.00012893 -0.00515259 0.00000000 -0.58292041 0.18727341
|
|
68 0.00000000 0.00000000 0.01944699 -0.00000000 -0.00000000
|
|
69 0.00005642 -0.00225495 0.00000000 1.04298875 -0.33507842
|
|
70 0.00000000 0.00000000 0.03694997 0.00000000 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.00535254
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.00349044
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.02532080
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.01061073
|
|
5 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
|
6 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.02774224
|
|
8 -0.00000001 -0.00000003 0.00000000 0.00000000 0.00000000
|
|
9 0.00000003 -0.00000001 0.00000000 -0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.08541977
|
|
11 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
|
12 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.01370176
|
|
14 0.00000000 0.00000000 -0.00000023 0.00000000 -0.00040297
|
|
15 0.00000000 0.00000000 0.00000000 -0.00000027 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00000023 0.00000000 -0.00040297
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00068132
|
|
20 0.00000000 0.00000000 -0.00000021 0.00000000 -0.00392548
|
|
21 0.00000000 0.00000000 0.00000000 -0.00000024 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.00000021 0.00000000 -0.00392548
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.00410904
|
|
26 -0.00000014 -0.00000046 0.00000000 0.00000000 0.00000000
|
|
27 -0.00000064 0.00000019 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -0.00000641 -0.00000000 -0.01505877
|
|
29 0.00000019 0.00000064 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.00000740 0.00000000
|
|
31 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
|
32 0.00000046 -0.00000014 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.00000641 0.00000000 -0.01505877
|
|
34 -0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.04019198
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.00520683
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00451970
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.00591990
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00689654
|
|
40 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -0.01002490
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.03177583
|
|
46 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.00581106
|
|
49 0.00000000 0.00000000 -0.00000460 -0.00000000 -0.00032181
|
|
50 0.00000000 0.00000000 0.00000000 -0.00000531 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000460 0.00000000 -0.00032181
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00015434
|
|
55 0.00000000 0.00000000 0.00000539 0.00000000 0.00114207
|
|
56 0.00000000 0.00000000 -0.00000000 0.00000622 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.00000539 -0.00000000 0.00114207
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00152812
|
|
61 0.22866343 0.75678006 0.00000000 0.00000001 0.00000000
|
|
62 1.01532373 -0.30678319 0.00000001 -0.00000000 0.00000000
|
|
63 0.00000001 0.00000000 -0.86602539 -0.00014240 0.66460537
|
|
64 -0.30678319 -1.01532372 -0.00000000 -0.00000001 0.00000000
|
|
65 -0.00000001 0.00000001 0.00016442 -0.99999999 0.00000000
|
|
66 -0.00000100 -0.00000328 -0.00000000 0.00000000 0.00000000
|
|
67 -0.75678004 0.22866343 -0.00000001 0.00000002 0.00000000
|
|
68 -0.00000001 -0.00000000 0.86602539 0.00014240 0.66460537
|
|
69 0.00000324 -0.00000100 0.00000000 -0.00000002 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -1.01388532
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.04634328
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.02302588
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00528284
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.02755307
|
|
5 0.00000000 0.00000000 -0.00004069 0.00000606 0.00000000
|
|
6 0.00000000 0.00000000 -0.00000606 -0.00004069 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.01520898
|
|
8 0.00000000 0.00000000 0.00007813 -0.00001164 0.00000000
|
|
9 0.00000000 0.00000000 0.00001164 0.00007813 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.04020893
|
|
11 0.00000000 0.00000000 -0.00003032 0.00000452 0.00000000
|
|
12 0.00000000 0.00000000 -0.00000452 -0.00003032 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.01145543
|
|
14 -0.00169484 1.05984679 0.00000000 0.00000000 0.61049166
|
|
15 -1.22380566 -0.00195703 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.00000000 1.21044041 -0.18032503 0.00000000
|
|
17 0.00169484 -1.05984679 -0.00000000 0.00000000 0.61049166
|
|
18 0.00000000 -0.00000000 0.18032503 1.21044041 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -1.22303747
|
|
20 0.00082576 -0.51638089 -0.00000000 0.00000000 -0.29719463
|
|
21 0.59626529 0.00095351 -0.00000000 0.00000000 0.00000000
|
|
22 -0.00000000 0.00000000 -0.58975623 0.08785877 0.00000000
|
|
23 -0.00082576 0.51638089 0.00000000 0.00000000 -0.29719463
|
|
24 0.00000000 0.00000000 -0.08785877 -0.58975623 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.59777238
|
|
26 0.00000000 0.00000000 -0.00001885 0.00000281 0.00000000
|
|
27 0.00000000 0.00000000 -0.00000126 -0.00000843 0.00000000
|
|
28 -0.00000000 0.00000306 0.00000000 0.00000000 0.00629837
|
|
29 0.00000000 0.00000000 -0.00000843 0.00000126 0.00000000
|
|
30 -0.00000353 -0.00000001 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.00000423 0.00000063 0.00000000
|
|
32 0.00000000 0.00000000 -0.00000281 -0.00001885 0.00000000
|
|
33 0.00000000 -0.00000306 0.00000000 0.00000000 0.00629837
|
|
34 0.00000000 0.00000000 -0.00000063 -0.00000423 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.01491562
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.09126859
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.05380987
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.02965234
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.07000657
|
|
40 0.00000000 0.00000000 0.00532119 -0.00079272 0.00000000
|
|
41 0.00000000 0.00000000 0.00079272 0.00532119 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.04848340
|
|
43 0.00000000 0.00000000 -0.01182341 0.00176139 0.00000000
|
|
44 0.00000000 0.00000000 -0.00176139 -0.01182341 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.11124618
|
|
46 0.00000000 0.00000000 0.00297237 -0.00044281 0.00000000
|
|
47 0.00000000 0.00000000 0.00044281 0.00297237 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.02825675
|
|
49 -0.00000024 0.00015172 0.00000000 0.00000000 0.03116214
|
|
50 -0.00017520 -0.00000028 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00425129 0.00063334 0.00000000
|
|
52 0.00000024 -0.00015172 0.00000000 0.00000000 0.03116214
|
|
53 0.00000000 0.00000000 -0.00063334 -0.00425129 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.06342409
|
|
55 0.00000011 -0.00007189 0.00000000 0.00000000 -0.02442409
|
|
56 0.00008301 0.00000013 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00201466 -0.00030013 0.00000000
|
|
58 -0.00000011 0.00007189 0.00000000 0.00000000 -0.02442409
|
|
59 0.00000000 0.00000000 0.00030013 0.00201466 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.02030928
|
|
61 0.00000000 0.00000000 0.00393393 -0.00058606 0.00000000
|
|
62 0.00000000 0.00000000 0.00026209 0.00175931 0.00000000
|
|
63 0.00000000 -0.00000025 0.00000000 0.00000000 0.01680286
|
|
64 0.00000000 0.00000000 0.00175931 -0.00026209 0.00000000
|
|
65 0.00000029 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00176600 -0.00026309 0.00000000
|
|
67 0.00000000 0.00000000 0.00058606 0.00393393 0.00000000
|
|
68 -0.00000000 0.00000025 0.00000000 0.00000000 0.01680286
|
|
69 0.00000000 0.00000000 0.00026309 0.00176600 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.03797479
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.10293951
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.05788062
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.02409297
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.07448614
|
|
5 0.00000000 0.00000000 0.00027679 0.00509304 0.00000000
|
|
6 0.00000000 0.00000000 -0.00509304 0.00027679 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.04783327
|
|
8 0.00000000 0.00000000 -0.00057856 -0.01064575 0.00000000
|
|
9 0.00000000 0.00000000 0.01064575 -0.00057856 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.10457675
|
|
11 0.00000000 0.00000000 0.00015652 0.00288006 0.00000000
|
|
12 0.00000000 0.00000000 -0.00288006 0.00015652 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.02848428
|
|
14 -0.00000146 -0.00015271 0.00000000 0.00000000 0.03217929
|
|
15 -0.00017634 0.00000168 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00023481 -0.00432051 0.00000000
|
|
17 0.00000146 0.00015271 0.00000000 0.00000000 0.03217929
|
|
18 0.00000000 0.00000000 0.00432051 -0.00023481 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.06289469
|
|
20 0.00000073 0.00007616 0.00000000 0.00000000 -0.00683421
|
|
21 0.00008794 -0.00000084 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00011701 0.00215302 0.00000000
|
|
23 -0.00000073 -0.00007616 0.00000000 0.00000000 -0.00683421
|
|
24 0.00000000 0.00000000 -0.00215302 0.00011701 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.04078604
|
|
26 0.00000000 0.00000000 0.00017895 0.00329266 0.00000000
|
|
27 0.00000000 0.00000000 -0.00147252 0.00008003 0.00000000
|
|
28 0.00000000 0.00000032 0.00000000 0.00000000 0.01487037
|
|
29 0.00000000 0.00000000 0.00008003 0.00147252 0.00000000
|
|
30 0.00000037 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00008043 0.00148002 0.00000000
|
|
32 0.00000000 0.00000000 -0.00329266 0.00017895 0.00000000
|
|
33 -0.00000000 -0.00000032 0.00000000 0.00000000 0.01487037
|
|
34 0.00000000 0.00000000 -0.00148002 0.00008043 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.03372944
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.05570357
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.02854879
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.00231175
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.03462297
|
|
40 0.00000000 0.00000000 -0.00000391 -0.00007195 0.00000000
|
|
41 0.00000000 0.00000000 0.00007195 -0.00000391 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.01997083
|
|
43 0.00000000 0.00000000 0.00000766 0.00014097 0.00000000
|
|
44 0.00000000 0.00000000 -0.00014097 0.00000766 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.05090019
|
|
46 0.00000000 0.00000000 -0.00000255 -0.00004690 0.00000000
|
|
47 0.00000000 0.00000000 0.00004690 -0.00000255 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.01418315
|
|
49 0.01009537 1.05945246 -0.00000000 0.00000000 -0.61030949
|
|
50 1.22335033 -0.01165713 0.00000000 -0.00000000 0.00000000
|
|
51 -0.00000000 0.00000000 -0.06638968 -1.22159442 0.00000000
|
|
52 -0.01009537 -1.05945246 0.00000000 -0.00000000 -0.61030949
|
|
53 -0.00000000 0.00000000 1.22159442 -0.06638968 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 1.22262009
|
|
55 -0.00489624 -0.51383304 0.00000000 -0.00000000 0.29478572
|
|
56 -0.59332329 0.00565369 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.00000000 0.03219903 0.59247393 0.00000000
|
|
58 0.00489624 0.51383304 -0.00000000 0.00000000 0.29478572
|
|
59 0.00000000 -0.00000000 -0.59247393 0.03219903 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.59590934
|
|
61 0.00000000 0.00000000 -0.00000209 -0.00003844 0.00000000
|
|
62 0.00000000 0.00000000 0.00001719 -0.00000093 0.00000000
|
|
63 -0.00000003 -0.00000338 0.00000000 0.00000000 0.00789703
|
|
64 0.00000000 0.00000000 -0.00000093 -0.00001719 0.00000000
|
|
65 -0.00000390 0.00000004 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.00000063 -0.00001161 0.00000000
|
|
67 0.00000000 0.00000000 0.00003844 -0.00000209 0.00000000
|
|
68 0.00000003 0.00000338 0.00000000 0.00000000 0.00789703
|
|
69 0.00000000 0.00000000 0.00001161 -0.00000063 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.01851007
|
|
61 62 63 64 65
|
|
1 -14.47816747 3.02622944 0.00000000 0.00000000 1.70711494
|
|
2 3.27903349 -0.64095098 0.00000000 0.00000000 -0.34727743
|
|
3 9.58169650 -2.03913220 0.00000000 0.00000000 -1.16536170
|
|
4 3.82494578 -0.78697606 0.00000000 0.00000000 -0.41562305
|
|
5 0.00000000 0.00000000 -0.53502545 1.25341649 0.00000000
|
|
6 0.00000000 0.00000000 1.25341649 0.53502545 0.00000000
|
|
7 0.18371461 1.06890956 0.00000000 0.00000000 -0.34797928
|
|
8 0.00000000 0.00000000 3.53538477 -8.28242762 0.00000000
|
|
9 0.00000000 0.00000000 -8.28242762 -3.53538477 0.00000000
|
|
10 -1.29660504 -7.14055619 0.00000000 0.00000000 2.34608603
|
|
11 0.00000000 0.00000000 -0.26153916 0.61271384 0.00000000
|
|
12 0.00000000 0.00000000 0.61271384 0.26153916 0.00000000
|
|
13 0.08850706 0.52422016 0.00000000 0.00000000 -0.14950965
|
|
14 0.56993209 -0.13600334 0.00000000 0.00000000 -0.07753504
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00008927 0.00020914 0.00000000
|
|
17 0.56993209 -0.13600334 0.00000000 0.00000000 -0.07753504
|
|
18 0.00000000 0.00000000 0.00020914 0.00008927 0.00000000
|
|
19 0.57303722 -0.13208819 0.00000000 0.00000000 -0.08947279
|
|
20 -0.94821270 0.20746511 0.00000000 0.00000000 0.11344973
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00007218 -0.00016910 0.00000000
|
|
23 -0.94821270 0.20746511 0.00000000 0.00000000 0.11344973
|
|
24 0.00000000 0.00000000 -0.00016910 -0.00007218 0.00000000
|
|
25 -0.95036759 0.20526776 0.00000000 0.00000000 0.12613971
|
|
26 0.00000000 0.00000000 -1.98232869 4.64404724 0.00000000
|
|
27 0.00000000 0.00000000 2.07688106 0.88652434 0.00000000
|
|
28 0.32977001 1.79475899 0.00000000 0.00000000 -0.59338035
|
|
29 0.00000000 0.00000000 -0.88652434 2.07688106 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.88651029 2.07684815 0.00000000
|
|
32 0.00000000 0.00000000 4.64404724 1.98232869 0.00000000
|
|
33 0.32977001 1.79475899 0.00000000 0.00000000 -0.59338035
|
|
34 0.00000000 0.00000000 2.07684815 0.88651029 0.00000000
|
|
35 0.73684239 4.01235468 0.00000000 0.00000000 -1.32542594
|
|
36 -2.75707630 -3.56118200 0.00000000 0.00000000 -14.14060756
|
|
37 0.67165960 0.80700964 0.00000000 0.00000000 3.17419336
|
|
38 1.77947179 2.38533235 0.00000000 0.00000000 9.34513032
|
|
39 0.76284968 0.90268833 0.00000000 0.00000000 3.73909772
|
|
40 0.00000000 0.00000000 -0.06181459 0.14481448 0.00000000
|
|
41 0.00000000 0.00000000 0.14481448 0.06181459 0.00000000
|
|
42 -0.10557705 -0.60350440 0.00000000 0.00000000 0.09732175
|
|
43 0.00000000 0.00000000 0.43109914 -1.00994592 0.00000000
|
|
44 0.00000000 0.00000000 -1.00994592 -0.43109914 0.00000000
|
|
45 0.72780485 4.32213223 0.00000000 0.00000000 -0.67177467
|
|
46 0.00000000 0.00000000 -0.02972964 0.06964831 0.00000000
|
|
47 0.00000000 0.00000000 0.06964831 0.02972964 0.00000000
|
|
48 -0.06963759 -0.27821929 0.00000000 0.00000000 0.04983617
|
|
49 0.09432113 0.12913565 0.00000000 0.00000000 0.56914855
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00081223 -0.00190284 0.00000000
|
|
52 0.09432113 0.12913565 0.00000000 0.00000000 0.56914855
|
|
53 0.00000000 0.00000000 -0.00190284 -0.00081223 0.00000000
|
|
54 0.08641241 0.15087764 0.00000000 0.00000000 0.56798202
|
|
55 -0.17454289 -0.22723472 0.00000000 0.00000000 -0.92118988
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.00064914 0.00152076 0.00000000
|
|
58 -0.17454289 -0.22723472 0.00000000 0.00000000 -0.92118988
|
|
59 0.00000000 0.00000000 0.00152076 0.00064914 0.00000000
|
|
60 -0.16518564 -0.24548902 0.00000000 0.00000000 -0.92083528
|
|
61 0.00000000 0.00000000 -0.24435300 0.57245141 0.00000000
|
|
62 0.00000000 0.00000000 0.25600805 0.10927798 0.00000000
|
|
63 -0.18183322 -1.10338741 0.00000000 0.00000000 0.16973240
|
|
64 0.00000000 0.00000000 -0.10927798 0.25600805 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.10915360 0.25571666 0.00000000
|
|
67 0.00000000 0.00000000 0.57245141 0.24435300 0.00000000
|
|
68 -0.18183322 -1.10338741 0.00000000 0.00000000 0.16973240
|
|
69 0.00000000 0.00000000 0.25571666 0.10915360 0.00000000
|
|
70 -0.40727423 -2.46390951 0.00000000 0.00000000 0.37921869
|
|
66 67 68 69 70
|
|
1 0.00000000 0.00000000 -0.34393561 54.81837439 -53.56410061
|
|
2 0.00000000 0.00000000 0.04779793 -26.59043132 25.92654465
|
|
3 0.00000000 0.00000000 0.32946370 -32.27690935 31.66670213
|
|
4 0.00000000 0.00000000 0.01535786 -15.45547113 14.97574498
|
|
5 0.05185555 0.18417341 0.00000000 0.00000000 0.00000000
|
|
6 0.18417341 -0.05185555 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -0.86117184 0.01908743 -0.04538612
|
|
8 -0.32904436 -1.16865442 0.00000000 0.00000000 0.00000000
|
|
9 -1.16865442 0.32904436 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 5.24203791 -0.07309682 0.16831283
|
|
11 0.02583886 0.09177092 0.00000000 0.00000000 0.00000000
|
|
12 0.09177092 -0.02583886 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.44592888 -0.01453131 -0.06322413
|
|
14 0.00000000 0.00000000 0.00564345 3.55666101 -3.46649505
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00053502 -0.00190022 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00564345 3.55666101 -3.46649505
|
|
18 -0.00190022 0.00053502 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.03255580 3.55992577 -3.45930919
|
|
20 0.00000000 0.00000000 -0.02766259 3.30807925 -3.24919333
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00043574 0.00154759 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.02766259 3.30807925 -3.24919333
|
|
24 0.00154759 -0.00043574 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -0.05065094 3.29946597 -3.26448812
|
|
26 0.18275186 0.64907286 0.00000000 0.00000000 0.00000000
|
|
27 0.29027421 -0.08172911 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -1.28683328 0.01779959 -0.03055049
|
|
29 0.08172911 0.29027421 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.08181405 0.29057586 0.00000000 0.00000000 0.00000000
|
|
32 0.64907286 -0.18275186 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -1.28683328 0.01779959 -0.03055049
|
|
34 0.29057586 -0.08181405 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 -2.88180848 0.03937913 -0.06973534
|
|
36 0.00000000 0.00000000 1.05773342 52.96712821 55.39886132
|
|
37 0.00000000 0.00000000 -0.19935006 -25.69373339 -26.81585802
|
|
38 0.00000000 0.00000000 -0.79914676 -31.18179564 -32.74622589
|
|
39 0.00000000 0.00000000 -0.21257796 -14.93796600 -15.49323703
|
|
40 -0.36558875 -1.29844775 0.00000000 0.00000000 0.00000000
|
|
41 -1.29844775 0.36558875 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -1.26586057 -0.01754438 -0.04600348
|
|
43 2.42994146 8.63033127 0.00000000 0.00000000 0.00000000
|
|
44 8.63033127 -2.42994146 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 8.06078449 0.06739360 0.17068086
|
|
46 -0.17990142 -0.63894907 0.00000000 0.00000000 0.00000000
|
|
47 -0.63894907 0.17990142 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.64188040 0.01666997 -0.06269198
|
|
49 0.00000000 0.00000000 -0.04017914 3.43665436 3.58531870
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00007917 -0.00028119 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.04017914 3.43665436 3.58531870
|
|
53 -0.00028119 0.00007917 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.06119922 3.44016776 3.57824079
|
|
55 0.00000000 0.00000000 0.07677318 3.19544276 3.35955556
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00006372 0.00022633 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.07677318 3.19544276 3.35955556
|
|
59 0.00022633 -0.00006372 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.09461048 3.18630597 3.37455487
|
|
61 -1.36288209 -4.84049681 0.00000000 0.00000000 0.00000000
|
|
62 -2.16473598 0.60949940 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -2.00044499 -0.01676667 -0.03113245
|
|
64 -0.60949940 -2.16473598 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.60951163 -2.16477941 0.00000000 0.00000000 0.00000000
|
|
67 -4.84049681 1.36288209 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -2.00044499 -0.01676667 -0.03113245
|
|
69 -2.16477941 0.60951163 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -4.47645157 -0.03701668 -0.07102506
|
|
|
|
---------------------------------------
|
|
UHF spin-up orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49993447
|
|
2 0.04647831
|
|
3 0.24836172
|
|
4 0.35256571
|
|
5 0.45949927
|
|
6 0.47749782
|
|
7 0.47749782
|
|
8 0.54546261
|
|
9 0.54546261
|
|
10 0.60775256
|
|
11 1.12804891
|
|
12 1.22277465
|
|
13 1.78580133
|
|
14 1.82379234
|
|
15 1.82379234
|
|
16 1.89625722
|
|
17 1.89625722
|
|
18 1.97114173
|
|
19 2.06812299
|
|
20 2.06812299
|
|
21 2.06822551
|
|
22 2.06822551
|
|
23 2.08128764
|
|
24 2.11289656
|
|
25 2.11289656
|
|
26 2.11295091
|
|
27 2.11295091
|
|
28 2.12610650
|
|
29 3.05383555
|
|
30 3.13765857
|
|
31 4.39313906
|
|
32 4.42841425
|
|
33 4.42841425
|
|
34 4.48171021
|
|
35 4.48171021
|
|
36 4.57687121
|
|
37 6.05497402
|
|
38 6.05497402
|
|
39 6.05497517
|
|
40 6.05497517
|
|
41 6.05497627
|
|
42 6.05497627
|
|
43 6.05515594
|
|
44 6.08667054
|
|
45 6.08667054
|
|
46 6.08667074
|
|
47 6.08667074
|
|
48 6.08667098
|
|
49 6.08667098
|
|
50 6.08684523
|
|
51 8.12080122
|
|
52 8.12080122
|
|
53 8.12081125
|
|
54 8.12081125
|
|
55 8.12338900
|
|
56 8.16493450
|
|
57 8.16493450
|
|
58 8.16494307
|
|
59 8.16494307
|
|
60 8.16770010
|
|
61 9.63778669
|
|
62 9.68843442
|
|
63 9.69950428
|
|
64 9.69950428
|
|
65 9.70562397
|
|
66 9.74398509
|
|
67 9.74398509
|
|
68 9.78469055
|
|
69 22.26368680
|
|
70 22.61630682
|
|
|
|
---------------------------------------
|
|
UHF spin-down orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49993447
|
|
2 0.04647831
|
|
3 0.24836172
|
|
4 0.35256571
|
|
5 0.45949927
|
|
6 0.47749782
|
|
7 0.47749782
|
|
8 0.54546261
|
|
9 0.54546261
|
|
10 0.60775256
|
|
11 1.12804891
|
|
12 1.22277465
|
|
13 1.78580133
|
|
14 1.82379234
|
|
15 1.82379234
|
|
16 1.89625722
|
|
17 1.89625722
|
|
18 1.97114173
|
|
19 2.06812299
|
|
20 2.06812299
|
|
21 2.06822551
|
|
22 2.06822551
|
|
23 2.08128764
|
|
24 2.11289656
|
|
25 2.11289656
|
|
26 2.11295091
|
|
27 2.11295091
|
|
28 2.12610650
|
|
29 3.05383555
|
|
30 3.13765857
|
|
31 4.39313906
|
|
32 4.42841425
|
|
33 4.42841425
|
|
34 4.48171021
|
|
35 4.48171021
|
|
36 4.57687121
|
|
37 6.05497402
|
|
38 6.05497402
|
|
39 6.05497517
|
|
40 6.05497517
|
|
41 6.05497627
|
|
42 6.05497627
|
|
43 6.05515594
|
|
44 6.08667054
|
|
45 6.08667054
|
|
46 6.08667074
|
|
47 6.08667074
|
|
48 6.08667098
|
|
49 6.08667098
|
|
50 6.08684523
|
|
51 8.12080122
|
|
52 8.12080122
|
|
53 8.12081125
|
|
54 8.12081125
|
|
55 8.12338900
|
|
56 8.16493450
|
|
57 8.16493450
|
|
58 8.16494307
|
|
59 8.16494307
|
|
60 8.16770010
|
|
61 9.63778669
|
|
62 9.68843442
|
|
63 9.69950428
|
|
64 9.69950428
|
|
65 9.70562397
|
|
66 9.74398509
|
|
67 9.74398509
|
|
68 9.78469055
|
|
69 22.26368680
|
|
70 22.61630682
|
|
|
|
Total CPU time for UHF = 1.428 seconds
|
|
|
|
|
|
AO to MO transformation... Please be patient
|
|
|
|
Total CPU time for AO to MO transformation = 14.508 seconds
|
|
|
|
|
|
************************************************
|
|
| Configuration Interaction Singles |
|
|
************************************************
|
|
|
|
|
|
-------------------------------------------------------------
|
|
UCIS calculation: spin-conserved manifold
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.383082 | 10.424190 |
|
|
| 2 | 0.383480 | 10.435029 |
|
|
| 3 | 0.476328 | 12.961544 |
|
|
| 4 | 0.477967 | 13.006136 |
|
|
| 5 | 0.584136 | 15.895149 |
|
|
| 6 | 0.595768 | 16.211666 |
|
|
| 7 | 0.595768 | 16.211666 |
|
|
| 8 | 0.596011 | 16.218297 |
|
|
| 9 | 0.602611 | 16.397877 |
|
|
| 10 | 0.602611 | 16.397877 |
|
|
| 11 | 0.729125 | 19.840493 |
|
|
| 12 | 0.729997 | 19.864224 |
|
|
| 13 | 0.893273 | 24.307188 |
|
|
| 14 | 0.893273 | 24.307188 |
|
|
| 15 | 0.893373 | 24.309927 |
|
|
| 16 | 0.893373 | 24.309927 |
|
|
| 17 | 0.907287 | 24.688550 |
|
|
| 18 | 0.908632 | 24.725124 |
|
|
| 19 | 1.227657 | 33.406239 |
|
|
| 20 | 1.227695 | 33.407290 |
|
|
-------------------------------------------------------------
|
|
|
|
---------------------------------------------------------------
|
|
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 0.462353 0.213770 0.054651
|
|
3 0.000000 0.000000 -0.269064 0.072396 0.022989
|
|
4 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
5 0.000000 0.000000 -1.216513 1.479904 0.576310
|
|
6 -0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
7 -0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
8 -0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
9 -1.177048 -0.633374 -0.000000 1.786606 0.717752
|
|
10 -0.633374 1.177048 -0.000000 1.786606 0.717752
|
|
11 -0.000000 0.000000 -0.260102 0.067653 0.032885
|
|
12 -0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
13 0.013294 -0.001188 -0.000000 0.000178 0.000106
|
|
14 0.001188 0.013294 0.000000 0.000178 0.000106
|
|
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 0.113488 0.012879 0.007802
|
|
19 -0.000000 -0.000000 0.006244 0.000039 0.000032
|
|
20 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
---------------------------------------------------------------
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 1: 10.424190 eV f = 0.0000 <S**2> = 0.2844
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.687983
|
|
1A -> 3A = -0.147513
|
|
1B -> 2B = 0.687983
|
|
1B -> 3B = -0.147513
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 2: 10.435029 eV f = 0.0547 <S**2> = 0.3010
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.689877
|
|
1A -> 3A = -0.129533
|
|
1B -> 2B = -0.689877
|
|
1B -> 3B = 0.129533
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 3: 12.961544 eV f = 0.0230 <S**2> = 0.9415
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.120147
|
|
1A -> 3A = -0.688425
|
|
1B -> 2B = 0.120147
|
|
1B -> 3B = 0.688425
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 4: 13.006136 eV f = 0.0000 <S**2> = 0.9411
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.141448
|
|
1A -> 3A = -0.685811
|
|
1B -> 2B = -0.141448
|
|
1B -> 3B = -0.685811
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 5: 15.895149 eV f = 0.5763 <S**2> = 0.9189
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.408243
|
|
1A -> 5A = -0.520317
|
|
1A -> 10A = -0.222680
|
|
1B -> 4B = -0.408243
|
|
1B -> 5B = -0.520317
|
|
1B -> 10B = 0.222680
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 6: 16.211666 eV f = 0.0000 <S**2> = 1.0022
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.696797
|
|
1B -> 6B = 0.630415
|
|
1B -> 7B = -0.312594
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 7: 16.211666 eV f = 0.0000 <S**2> = 1.0022
|
|
-------------------------------------------------------------
|
|
1A -> 7A = 0.696797
|
|
1B -> 6B = -0.312594
|
|
1B -> 7B = -0.630415
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 8: 16.218297 eV f = 0.0000 <S**2> = 0.9051
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.421620
|
|
1A -> 5A = -0.513169
|
|
1A -> 10A = -0.223878
|
|
1B -> 4B = 0.421620
|
|
1B -> 5B = 0.513169
|
|
1B -> 10B = -0.223878
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 9: 16.397877 eV f = 0.7178 <S**2> = 0.9985
|
|
-------------------------------------------------------------
|
|
1A -> 6A = -0.699556
|
|
1B -> 6B = 0.641584
|
|
1B -> 7B = -0.287707
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 10: 16.397877 eV f = 0.7178 <S**2> = 0.9985
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.699556
|
|
1B -> 6B = -0.287707
|
|
1B -> 7B = -0.641584
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 11: 19.840493 eV f = 0.0329 <S**2> = 0.8748
|
|
-------------------------------------------------------------
|
|
1A -> 4A = -0.573188
|
|
1A -> 5A = -0.399977
|
|
1B -> 4B = 0.573188
|
|
1B -> 5B = -0.399977
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 12: 19.864224 eV f = 0.0000 <S**2> = 0.8752
|
|
-------------------------------------------------------------
|
|
1A -> 4A = -0.563780
|
|
1A -> 5A = -0.411398
|
|
1A -> 10A = -0.106245
|
|
1B -> 4B = -0.563780
|
|
1B -> 5B = 0.411398
|
|
1B -> 10B = -0.106245
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 13: 24.307188 eV f = 0.0001 <S**2> = 1.0015
|
|
-------------------------------------------------------------
|
|
1A -> 8A = -0.703983
|
|
1B -> 8B = -0.194853
|
|
1B -> 9B = -0.676508
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 14: 24.307188 eV f = 0.0001 <S**2> = 1.0015
|
|
-------------------------------------------------------------
|
|
1A -> 9A = -0.703983
|
|
1B -> 8B = 0.676508
|
|
1B -> 9B = -0.194853
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 15: 24.309927 eV f = 0.0000 <S**2> = 0.9978
|
|
-------------------------------------------------------------
|
|
1A -> 8A = 0.694337
|
|
1A -> 9A = -0.119486
|
|
1B -> 8B = -0.301443
|
|
1B -> 9B = -0.636799
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 16: 24.309927 eV f = 0.0000 <S**2> = 0.9978
|
|
-------------------------------------------------------------
|
|
1A -> 8A = -0.119486
|
|
1A -> 9A = -0.694337
|
|
1B -> 8B = -0.636799
|
|
1B -> 9B = 0.301443
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 17: 24.688550 eV f = 0.0000 <S**2> = 1.0099
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.239874
|
|
1A -> 10A = -0.660130
|
|
1B -> 5B = -0.239874
|
|
1B -> 10B = -0.660130
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 18: 24.725124 eV f = 0.0078 <S**2> = 0.9770
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.235557
|
|
1A -> 10A = 0.661682
|
|
1B -> 5B = -0.235557
|
|
1B -> 10B = -0.661682
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 19: 33.406239 eV f = 0.0000 <S**2> = 1.0009
|
|
-------------------------------------------------------------
|
|
1A -> 11A = -0.702726
|
|
1B -> 11B = 0.702726
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 20: 33.407290 eV f = 0.0000 <S**2> = 0.9994
|
|
-------------------------------------------------------------
|
|
1A -> 11A = 0.702645
|
|
1B -> 11B = 0.702645
|
|
|
|
Thomas-Reiche-Kuhn sum rule = 2.130385
|
|
|
|
Total CPU time for CIS = 0.006 seconds
|
|
|
|
Total CPU time for QuAcK = 16.759 seconds
|
|
|