2612 lines
186 KiB
Plaintext
2612 lines
186 KiB
Plaintext
210 significant shell pairs computed in 0.000093 seconds
|
|
0
|
|
Computed Electron repulsion integrals Integrals in parallel in 3.578838 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 3.1180481070
|
|
|
|
------------------
|
|
Nuclear repulsion energy = 0.3207134610
|
|
------------------
|
|
|
|
Gaussian basis set
|
|
------------------
|
|
Atom n. 1
|
|
number of shells 10
|
|
------------------
|
|
s-type shell with K = 6
|
|
Exponents Contraction
|
|
82.6400000000 0.0020060000
|
|
12.4100000000 0.0153430000
|
|
2.8240000000 0.0755790000
|
|
0.7977000000 0.2568750000
|
|
0.2581000000 0.4973680000
|
|
0.0898900000 0.2961330000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.7977000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2581000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0898900000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
2.2920000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.8380000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2920000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
2.0620000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.6620000000 1.0000000000
|
|
f-type shell with K = 1
|
|
Exponents Contraction
|
|
1.3970000000 1.0000000000
|
|
------------------
|
|
Atom n. 2
|
|
number of shells 10
|
|
------------------
|
|
s-type shell with K = 6
|
|
Exponents Contraction
|
|
82.6400000000 0.0020060000
|
|
12.4100000000 0.0153430000
|
|
2.8240000000 0.0755790000
|
|
0.7977000000 0.2568750000
|
|
0.2581000000 0.4973680000
|
|
0.0898900000 0.2961330000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.7977000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2581000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0898900000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
2.2920000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.8380000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2920000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
2.0620000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.6620000000 1.0000000000
|
|
f-type shell with K = 1
|
|
Exponents Contraction
|
|
1.3970000000 1.0000000000
|
|
------------------
|
|
Number of shells 20
|
|
------------------
|
|
|
|
------------------
|
|
Number of basis functions 70
|
|
------------------
|
|
|
|
Scaling integrals by 1.0000000000000000
|
|
|
|
Total CPU time for reading integrals = 1.198 seconds
|
|
|
|
|
|
Lowdin orthogonalization
|
|
|
|
|
|
************************************************
|
|
* Unrestricted Hartree-Fock calculation *
|
|
************************************************
|
|
|
|
|
|
----------------------------------------------------------
|
|
| # | E(UHF) | Ex(UHF) | Conv |
|
|
----------------------------------------------------------
|
|
| 1 | -0.9487948801 | -0.5285811262 | 1.000000 |
|
|
| 2 | -0.9816463451 | -0.4814377331 | 0.022760 |
|
|
| 3 | -0.9861074984 | -0.4766963867 | 0.020400 |
|
|
| 4 | -0.9901803707 | -0.4842280751 | 0.023179 |
|
|
| 5 | -0.9951317463 | -0.4973134217 | 0.024786 |
|
|
| 6 | -1.0004403713 | -0.5136050399 | 0.024427 |
|
|
| 7 | -1.0052454055 | -0.5309477711 | 0.021985 |
|
|
| 8 | -1.0088931462 | -0.5471619084 | 0.018131 |
|
|
| 9 | -1.0112494523 | -0.5607472988 | 0.013881 |
|
|
| 10 | -1.0125813069 | -0.5711996697 | 0.010036 |
|
|
| 11 | -1.0132613647 | -0.5787615956 | 0.006964 |
|
|
| 12 | -1.0135842133 | -0.5840064504 | 0.004698 |
|
|
| 13 | -1.0137299877 | -0.5875436080 | 0.003112 |
|
|
| 14 | -1.0137936337 | -0.5898857031 | 0.002036 |
|
|
| 15 | -1.0138208134 | -0.5914181333 | 0.001322 |
|
|
| 16 | -1.0138322539 | -0.5924131096 | 0.000854 |
|
|
| 17 | -1.0138370245 | -0.5930559289 | 0.000550 |
|
|
| 18 | -1.0138390019 | -0.5934699071 | 0.000353 |
|
|
| 19 | -1.0138398183 | -0.5937359639 | 0.000227 |
|
|
| 20 | -1.0138401545 | -0.5939067289 | 0.000145 |
|
|
| 21 | -1.0138402928 | -0.5940162394 | 0.000093 |
|
|
| 22 | -1.0138403496 | -0.5940864297 | 0.000060 |
|
|
| 23 | -1.0138403729 | -0.5941314023 | 0.000038 |
|
|
| 24 | -1.0138403825 | -0.5941602109 | 0.000025 |
|
|
| 25 | -1.0138403864 | -0.5941786625 | 0.000016 |
|
|
| 26 | -1.0138403880 | -0.5941904795 | 0.000010 |
|
|
| 27 | -1.0138403887 | -0.5941980470 | 0.000006 |
|
|
| 28 | -1.0138403889 | -0.5942028930 | 0.000004 |
|
|
| 29 | -1.0138403890 | -0.5942059962 | 0.000003 |
|
|
| 30 | -1.0138403891 | -0.5942079833 | 0.000002 |
|
|
| 31 | -1.0138403891 | -0.5942092557 | 0.000001 |
|
|
| 32 | -1.0138403891 | -0.5942100705 | 0.000001 |
|
|
| 33 | -1.0138403891 | -0.5942105922 | 0.000000 |
|
|
| 34 | -1.0138403891 | -0.5942109263 | 0.000000 |
|
|
| 35 | -1.0138403891 | -0.5942111402 | 0.000000 |
|
|
| 36 | -1.0138403891 | -0.5942112772 | 0.000000 |
|
|
| 37 | -1.0138403891 | -0.5942113649 | 0.000000 |
|
|
----------------------------------------------------------
|
|
|
|
-------------------------------------------------
|
|
Summary
|
|
-------------------------------------------------
|
|
One-electron energy: -1.6772059779 au
|
|
One-electron a energy: -0.8386029890 au
|
|
One-electron b energy: -0.8386029890 au
|
|
Kinetic energy: 0.9362839008 au
|
|
Kinetic a energy: 0.4681419504 au
|
|
Kinetic b energy: 0.4681419504 au
|
|
Potential energy: -2.6134898787 au
|
|
Potential a energy: -1.3067449393 au
|
|
Potential b energy: -1.3067449393 au
|
|
-------------------------------------------------
|
|
Two-electron energy: 0.3426521278 au
|
|
Two-electron aa energy: 0.0000000000 au
|
|
Two-electron ab energy: 0.3426521278 au
|
|
Two-electron bb energy: 0.0000000000 au
|
|
Hartree energy: 0.9368634926 au
|
|
Hartree aa energy: 0.2971056824 au
|
|
Hartree ab energy: 0.3426521278 au
|
|
Hartree bb energy: 0.2971056824 au
|
|
Exchange energy: -0.5942113649 au
|
|
Exchange a energy: -0.2971056824 au
|
|
Exchange b energy: -0.2971056824 au
|
|
-------------------------------------------------
|
|
Electronic energy: -1.3345538501 au
|
|
Nuclear repulsion: 0.3207134610 au
|
|
UHF energy: -1.0138403891 au
|
|
-------------------------------------------------
|
|
UHF HOMO a energy: -13.495510 eV
|
|
UHF LUMO a energy: 1.765710 eV
|
|
UHF HOMOa-LUMOa gap: 15.261220 eV
|
|
-------------------------------------------------
|
|
UHF HOMO b energy: -13.495510 eV
|
|
UHF LUMO b energy: 1.765710 eV
|
|
UHF HOMOb-LUMOb gap : 15.261220 eV
|
|
-------------------------------------------------
|
|
S (exact) : 1.000000
|
|
S : 1.978684
|
|
<S**2> (exact) : 0.000000
|
|
<S**2> : 0.728797
|
|
-------------------------------------------------
|
|
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 0.96845693 -0.28595029 -0.09423841 -0.12843975 0.00000000
|
|
2 -0.00836573 -0.01436429 -0.24709492 0.09225234 0.00000000
|
|
3 -0.00954415 0.09415900 2.48149782 -0.87150363 0.00000000
|
|
4 0.00023687 -0.52013637 -2.10455034 1.32947166 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 -0.17885007
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.51485928
|
|
7 0.00112456 -0.01205562 0.02270412 0.15227729 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.64396139
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 -1.85378453
|
|
10 -0.00256117 0.05899609 -0.07908190 -0.54820435 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 -0.35909433
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 1.03373202
|
|
13 0.00793625 0.01793625 0.05366791 0.29121120 0.00000000
|
|
14 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00051883
|
|
17 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00149356
|
|
19 0.00072960 -0.00147304 -0.02188178 0.00839401 0.00000000
|
|
20 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00315008
|
|
23 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00906821
|
|
25 0.00226012 -0.00464513 -0.26849803 0.06496954 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 -0.26065746
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.33557112
|
|
28 0.00052701 -0.00930976 0.01157759 0.09852495 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 -0.11656956
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 -0.11565222
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.75035984
|
|
33 0.00052701 -0.00930976 0.01157759 0.09852495 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.33293036
|
|
35 0.00166309 -0.01950152 0.03249578 0.21849271 0.00000000
|
|
36 0.18539668 0.73729390 -0.06884274 0.08620034 0.00000000
|
|
37 -0.01473062 0.02768972 -0.08641907 -0.35200289 0.00000000
|
|
38 -0.04302718 -0.75720545 0.79490691 2.79426047 0.00000000
|
|
39 -0.02910476 1.09418503 -0.00953971 -2.32473932 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 -0.13806106
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.39743913
|
|
42 -0.00218596 -0.02074663 -0.09993008 0.04015351 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.50052737
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 -1.44087814
|
|
45 0.00049365 0.07963024 0.36730798 -0.14551561 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 -0.25530959
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.73496481
|
|
48 -0.01327989 -0.03034712 -0.16334190 0.07064531 0.00000000
|
|
49 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00048903
|
|
52 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00140779
|
|
54 0.00077095 0.00836480 -0.00601766 -0.02348563 0.00000000
|
|
55 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00327588
|
|
58 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00943034
|
|
60 0.00351615 0.07522757 -0.10798362 -0.29541427 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 -0.20213843
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.26023356
|
|
63 -0.00053755 -0.01456127 -0.06378179 0.02914378 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 -0.09039905
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 -0.08916305
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 0.58189994
|
|
68 -0.00053755 -0.01456127 -0.06378179 0.02914378 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.25667547
|
|
70 -0.00221922 -0.03108954 -0.14474226 0.05688075 0.00000000
|
|
6 7 8 9 10
|
|
1 0.00000000 -0.08220221 0.00000000 0.00000000 -0.58471085
|
|
2 0.00000000 -0.07721164 0.00000000 0.00000000 0.00637790
|
|
3 0.00000000 0.77702752 0.00000000 0.00000000 0.19231950
|
|
4 0.00000000 -0.32792202 0.00000000 0.00000000 -0.98226748
|
|
5 0.51485928 0.00000000 0.49234616 -0.01617665 0.00000000
|
|
6 0.17885007 0.00000000 0.01617665 0.49234616 0.00000000
|
|
7 0.00000000 -0.50328721 0.00000000 0.00000000 -0.70777721
|
|
8 -1.85378453 0.00000000 -1.78647588 0.05869691 0.00000000
|
|
9 -0.64396139 0.00000000 -0.05869691 -1.78647588 0.00000000
|
|
10 0.00000000 1.82482664 0.00000000 0.00000000 2.59848168
|
|
11 1.03373202 0.00000000 1.10890712 -0.03643454 0.00000000
|
|
12 0.35909433 0.00000000 0.03643454 1.10890712 0.00000000
|
|
13 0.00000000 -1.06535609 0.00000000 0.00000000 -2.15609561
|
|
14 0.00000000 -0.00403115 0.00000000 0.00000000 -0.01380198
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00149356 0.00000000 0.00095687 -0.00003144 0.00000000
|
|
17 0.00000000 -0.00403115 0.00000000 0.00000000 -0.01380198
|
|
18 0.00051883 0.00000000 0.00003144 0.00095687 0.00000000
|
|
19 0.00000000 -0.00546335 0.00000000 0.00000000 -0.00666615
|
|
20 0.00000000 -0.08294510 0.00000000 0.00000000 -0.04843489
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00906821 0.00000000 -0.00497370 0.00016342 0.00000000
|
|
23 0.00000000 -0.08294510 0.00000000 0.00000000 -0.04843489
|
|
24 -0.00315008 0.00000000 -0.00016342 -0.00497370 0.00000000
|
|
25 0.00000000 -0.04979331 0.00000000 0.00000000 -0.11689357
|
|
26 0.75035984 0.00000000 0.71120045 -0.02336739 0.00000000
|
|
27 0.11656956 0.00000000 0.01045021 0.31805851 0.00000000
|
|
28 0.00000000 -0.32084785 0.00000000 0.00000000 -0.45245045
|
|
29 0.33557112 0.00000000 0.31805851 -0.01045021 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.33293036 0.00000000 0.32288148 -0.01060868 0.00000000
|
|
32 0.26065746 0.00000000 0.02336739 0.71120045 0.00000000
|
|
33 0.00000000 -0.32084785 0.00000000 0.00000000 -0.45245045
|
|
34 0.11565222 0.00000000 0.01060868 0.32288148 0.00000000
|
|
35 0.00000000 -0.73494661 0.00000000 0.00000000 -1.01180801
|
|
36 0.00000000 -0.00477645 0.00000000 0.00000000 0.37824643
|
|
37 0.00000000 -0.13201893 0.00000000 0.00000000 -0.11902922
|
|
38 0.00000000 1.08426435 0.00000000 0.00000000 0.32635235
|
|
39 0.00000000 -0.39905354 0.00000000 0.00000000 0.92507641
|
|
40 0.39743913 0.00000000 -0.67091366 0.02204371 0.00000000
|
|
41 0.13806106 0.00000000 -0.02204371 -0.67091366 0.00000000
|
|
42 0.00000000 0.46702822 0.00000000 0.00000000 -0.80609498
|
|
43 -1.44087814 0.00000000 2.44858043 -0.08045119 0.00000000
|
|
44 -0.50052737 0.00000000 0.08045119 2.44858043 0.00000000
|
|
45 0.00000000 -1.70566793 0.00000000 0.00000000 2.97195337
|
|
46 0.73496481 0.00000000 -1.40388854 0.04612652 0.00000000
|
|
47 0.25530959 0.00000000 -0.04612652 -1.40388854 0.00000000
|
|
48 0.00000000 0.88557339 0.00000000 0.00000000 -2.29725567
|
|
49 0.00000000 -0.00497128 0.00000000 0.00000000 0.00931461
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00140779 0.00000000 0.00078119 -0.00002567 0.00000000
|
|
52 0.00000000 -0.00497128 0.00000000 0.00000000 0.00931461
|
|
53 -0.00048903 0.00000000 0.00002567 0.00078119 0.00000000
|
|
54 0.00000000 -0.00747634 0.00000000 0.00000000 0.00230745
|
|
55 0.00000000 -0.11467860 0.00000000 0.00000000 -0.02369886
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00943034 0.00000000 -0.00291844 0.00009589 0.00000000
|
|
58 0.00000000 -0.11467860 0.00000000 0.00000000 -0.02369886
|
|
59 0.00327588 0.00000000 -0.00009589 -0.00291844 0.00000000
|
|
60 0.00000000 -0.07548666 0.00000000 0.00000000 0.03998901
|
|
61 0.58189994 0.00000000 -0.97363156 0.03198989 0.00000000
|
|
62 0.09039905 0.00000000 -0.01430631 -0.43542127 0.00000000
|
|
63 0.00000000 0.29869463 0.00000000 0.00000000 -0.51568416
|
|
64 0.26023356 0.00000000 -0.43542127 0.01430631 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.25667547 0.00000000 -0.43937517 0.01443622 0.00000000
|
|
67 0.20213843 0.00000000 -0.03198989 -0.97363156 0.00000000
|
|
68 0.00000000 0.29869463 0.00000000 0.00000000 -0.51568416
|
|
69 0.08916305 0.00000000 -0.01443622 -0.43937517 0.00000000
|
|
70 0.00000000 0.68468199 0.00000000 0.00000000 -1.15601653
|
|
11 12 13 14 15
|
|
1 2.69267120 -0.68647589 0.15540312 0.00000000 0.00000000
|
|
2 1.41902602 -0.57209044 0.02964106 0.00000000 0.00000000
|
|
3 -6.89470245 2.63670884 -0.15492929 0.00000000 0.00000000
|
|
4 0.62873883 -0.41376809 0.01106634 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 -0.95735298 1.34780377
|
|
6 0.00000000 0.00000000 0.00000000 -1.34780377 -0.95735298
|
|
7 -0.20073485 0.07559760 1.41810231 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 3.62299763 -5.10061594
|
|
9 0.00000000 0.00000000 0.00000000 5.10061594 3.62299763
|
|
10 0.76526886 -0.29549447 -5.44443822 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 -0.69556501 0.97924712
|
|
12 0.00000000 0.00000000 0.00000000 -0.97924712 -0.69556501
|
|
13 -0.57202862 0.73098247 1.17777611 0.00000000 0.00000000
|
|
14 0.05498782 -0.00772003 -0.01292676 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.02901811 0.04085297
|
|
17 0.05498782 -0.00772003 -0.01292676 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 -0.04085297 -0.02901811
|
|
19 0.05550928 -0.02289879 0.00885692 0.00000000 0.00000000
|
|
20 0.96755590 -0.35345794 0.06742081 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.21263952 -0.29936331
|
|
23 0.96755590 -0.35345794 0.06742081 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.29936331 0.21263952
|
|
25 1.00263892 -0.20242454 -0.24113229 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -1.41823124 1.99664853
|
|
27 0.00000000 0.00000000 0.00000000 -0.89292837 -0.63425229
|
|
28 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 -0.63425229 0.89292837
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 -0.62445984 0.87914212
|
|
32 0.00000000 0.00000000 0.00000000 -1.99664853 -1.41823124
|
|
33 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -0.87914212 -0.62445984
|
|
35 -0.28568661 0.11512199 2.10392302 0.00000000 0.00000000
|
|
36 0.85463265 2.76646328 0.19379192 0.00000000 0.00000000
|
|
37 0.21194795 1.49369655 0.06678171 0.00000000 0.00000000
|
|
38 -1.16806641 -7.22179122 -0.28430753 0.00000000 0.00000000
|
|
39 -0.01965844 0.69864915 -0.05164603 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 -0.64307693 0.90535208
|
|
41 0.00000000 0.00000000 0.00000000 -0.90535208 -0.64307693
|
|
42 -0.05512236 0.20198926 -1.29016216 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 2.41480704 -3.39967191
|
|
44 0.00000000 0.00000000 0.00000000 3.39967191 2.41480704
|
|
45 0.20742113 -0.77940274 4.92959265 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 -0.42479874 0.59805041
|
|
47 0.00000000 0.00000000 0.00000000 -0.59805041 -0.42479874
|
|
48 -0.56945885 0.77668532 -0.97210482 0.00000000 0.00000000
|
|
49 0.02251516 0.05429740 -0.01336321 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.02776577 -0.03908987
|
|
52 0.02251516 0.05429740 -0.01336321 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.03908987 0.02776577
|
|
54 0.00913393 0.06185606 0.00995662 0.00000000 0.00000000
|
|
55 0.19209773 1.04241925 0.08788076 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.20204069 0.28444180
|
|
58 0.19209773 1.04241925 0.08788076 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 -0.28444180 -0.20204069
|
|
60 0.33991017 1.00228904 -0.22834533 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 -0.95570174 1.34547908
|
|
62 0.00000000 0.00000000 0.00000000 -0.60171654 -0.42740281
|
|
63 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 -0.42740281 0.60171654
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 -0.41469470 0.58382550
|
|
67 0.00000000 0.00000000 0.00000000 -1.34547908 -0.95570174
|
|
68 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -0.58382550 -0.41469470
|
|
70 -0.08617209 0.29222331 -1.91613209 0.00000000 0.00000000
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.08513118 1.41921140 -0.65353103 0.10535842 0.00000000
|
|
6 1.41921140 -0.08513118 0.10535842 0.65353103 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 -0.32477309 -5.41425230 2.50174439 -0.40331648 0.00000000
|
|
9 -5.41425230 0.32477309 -0.40331648 -2.50174439 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.06228052 1.03827097 -0.65509491 0.10561054 0.00000000
|
|
12 1.03827097 -0.06228052 0.10561054 0.65509491 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.10012854
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002262
|
|
16 -0.00423954 -0.07067684 -0.04292651 0.00692036 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.10012854
|
|
18 -0.07067684 0.00423954 0.00692036 0.04292651 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.71600482
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00016173
|
|
22 0.03181162 0.53032768 0.29942771 -0.04827197 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.71600482
|
|
24 0.53032768 -0.03181162 -0.04827197 -0.29942771 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.12540344 2.09058529 -0.95222207 0.15351163 0.00000000
|
|
27 0.93493816 -0.05608212 0.06865249 0.42584666 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.00616805
|
|
29 0.05608212 0.93493816 -0.42584666 0.06865249 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000139
|
|
31 0.05683285 0.94745352 -0.43845110 0.07068450 0.00000000
|
|
32 2.09058529 -0.12540344 0.15351163 0.95222207 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00616805
|
|
34 0.94745352 -0.05683285 0.07068450 0.43845110 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 -0.02679844 -0.44675352 1.94739586 -0.31394768 0.00000000
|
|
41 -0.44675352 0.02679844 -0.31394768 -1.94739586 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.10156064 1.69310503 -7.38251581 1.19016567 0.00000000
|
|
44 1.69310503 -0.10156064 1.19016567 7.38251581 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 -0.02987524 -0.49804643 1.41958299 -0.22885680 0.00000000
|
|
47 -0.49804643 0.02987524 -0.22885680 -1.41958299 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.08268202
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001868
|
|
51 0.00430354 0.07174380 0.03608417 -0.00581728 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.08268202
|
|
53 0.07174380 -0.00430354 -0.00581728 -0.03608417 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.57212304
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00012923
|
|
57 -0.03008937 -0.50161618 -0.27211611 0.04386895 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.57212304
|
|
59 -0.50161618 0.03008937 0.04386895 0.27211611 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 -0.03905094 -0.65101346 2.86697700 -0.46219713 0.00000000
|
|
62 -0.29114207 0.01746411 -0.20670084 -1.28215109 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00790969
|
|
64 -0.01746411 -0.29114207 1.28215109 -0.20670084 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000179
|
|
66 -0.01759308 -0.29329211 1.29276269 -0.20841158 0.00000000
|
|
67 -0.65101346 0.03905094 -0.46219713 -2.86697700 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 0.00790969
|
|
69 -0.29329211 0.01759308 -0.20841158 -1.29276269 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 0.00000000 -0.25915707 0.20359642
|
|
2 0.00000000 0.00000000 0.00000000 0.18579069 0.07839607
|
|
3 0.00000000 0.00000000 0.00000000 0.01443597 0.17564312
|
|
4 0.00000000 0.00000000 0.00000000 -0.67812783 -0.14824875
|
|
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 -1.71868887 -0.98720430
|
|
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 6.62363117 3.71795003
|
|
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 -2.13380631 -0.71788072
|
|
14 0.00001959 -0.07790133 -0.00012806 -0.02967004 -0.03754998
|
|
15 -0.11561847 0.00014787 -0.08995271 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00001959 0.07790133 0.00012806 -0.02967004 -0.03754998
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 -0.00159498 0.07337536
|
|
20 -0.00014007 0.60045155 0.00098706 0.01561461 0.28732086
|
|
21 0.82677115 -0.00113976 0.69334173 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00014007 -0.60045155 -0.00098706 0.01561461 0.28732086
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 -0.36057125 -0.72003763
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -0.00000121 -0.00998191 -0.00001641 -1.11587948 -0.66517326
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00712225 0.00001895 -0.01152612 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 0.00000121 0.00998191 0.00001641 -1.11587948 -0.66517326
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 -2.49769395 -1.44635128
|
|
36 0.00000000 0.00000000 0.00000000 0.28179398 0.18190342
|
|
37 0.00000000 0.00000000 0.00000000 -0.17551774 0.09342857
|
|
38 0.00000000 0.00000000 0.00000000 0.05571977 0.18774860
|
|
39 0.00000000 0.00000000 0.00000000 0.64545590 -0.22222997
|
|
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 -1.70936961 1.22146749
|
|
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 6.56194825 -4.61017736
|
|
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 -2.09441676 0.93964545
|
|
49 0.00001617 0.09959538 0.00016372 0.02278513 -0.03961636
|
|
50 -0.09547298 -0.00018905 0.11500283 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00001617 -0.09959538 -0.00016372 0.02278513 -0.03961636
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00976544 0.07232846
|
|
55 -0.00011192 -0.74040116 -0.00121712 0.01048437 0.28195229
|
|
56 0.66063078 0.00140541 -0.85494162 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00011192 0.74040116 0.00121712 0.01048437 0.28195229
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.23133280 -0.72282361
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000155 -0.00799617 -0.00001314 -1.10592367 0.81609992
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 -0.00913333 0.00001518 -0.00923318 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 -0.00000155 0.00799617 0.00001314 -1.10592367 0.81609992
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 -2.48299588 1.78752904
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 -1.50109062 -0.37877526 -0.49948661
|
|
2 0.00000000 0.00000000 -0.09157401 -0.43213804 0.54928336
|
|
3 0.00000000 0.00000000 5.99333302 2.97181892 0.62237195
|
|
4 0.00000000 0.00000000 -0.45235680 -0.29468637 -0.32836547
|
|
5 0.15352930 -0.19584669 0.00000000 0.00000000 0.00000000
|
|
6 0.19584669 0.15352930 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.02738500 0.09490307 -0.20387999
|
|
8 -0.57455702 0.73292257 0.00000000 0.00000000 0.00000000
|
|
9 -0.73292257 -0.57455702 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.14237545 -0.38850181 0.55150136
|
|
11 0.27345622 -0.34882916 0.00000000 0.00000000 0.00000000
|
|
12 0.34882916 0.27345622 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.46020196 1.08045424 -1.16615842
|
|
14 0.00000000 0.00000000 -0.08285212 0.00272667 -0.09257069
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.06173634 0.07875277 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.08285212 0.00272667 -0.09257069
|
|
18 -0.07875277 -0.06173634 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.15764377 -0.08214048 0.05832440
|
|
20 0.00000000 0.00000000 -1.97074175 -0.86730874 -0.08921372
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.53988200 -0.68869006 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -1.97074175 -0.86730874 -0.08921372
|
|
24 0.68869006 0.53988200 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -1.29994214 0.07988365 -1.61274216
|
|
26 0.23342570 -0.29776499 0.00000000 0.00000000 0.00000000
|
|
27 0.13316455 0.10439115 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.01923382 0.05699105 -0.17243046
|
|
29 0.10439115 -0.13316455 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.07231318 -0.09224492 0.00000000 0.00000000 0.00000000
|
|
32 0.29776499 0.23342570 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.01923382 0.05699105 -0.17243046
|
|
34 0.09224492 0.07231318 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00029002 0.12740826 -0.20446348
|
|
36 0.00000000 0.00000000 -0.62998308 1.38105238 0.58978705
|
|
37 0.00000000 0.00000000 0.26456219 0.31213375 -0.58057570
|
|
38 0.00000000 0.00000000 1.44122575 -6.39600931 -0.90577443
|
|
39 0.00000000 0.00000000 -0.03298918 0.50698637 0.34338972
|
|
40 -0.15774555 0.20122507 0.00000000 0.00000000 0.00000000
|
|
41 -0.20122507 -0.15774555 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.06679559 0.07781427 -0.17966082
|
|
43 0.59181782 -0.75494098 0.00000000 0.00000000 0.00000000
|
|
44 0.75494098 0.59181782 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -0.26295258 -0.34039568 0.48481567
|
|
46 -0.27466067 0.35036559 0.00000000 0.00000000 0.00000000
|
|
47 -0.35036559 -0.27466067 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.48623604 1.07199416 -1.16327527
|
|
49 0.00000000 0.00000000 -0.04799148 0.05533093 0.09833628
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.06625739 0.08451997 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.04799148 0.05533093 0.09833628
|
|
53 -0.08451997 -0.06625739 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.03966597 0.17524875 -0.05472516
|
|
55 0.00000000 0.00000000 -0.57434282 2.05184088 0.18247671
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.56129500 -0.71600513 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.57434282 2.05184088 0.18247671
|
|
59 0.71600513 0.56129500 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.77544722 0.87282976 1.71124196
|
|
61 -0.23888495 0.30472898 0.00000000 0.00000000 0.00000000
|
|
62 -0.13627894 -0.10683260 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.03673008 0.05006837 -0.15600557
|
|
64 -0.10683260 0.13627894 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.07664930 0.09777620 0.00000000 0.00000000 0.00000000
|
|
67 -0.30472898 -0.23888495 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.03673008 0.05006837 -0.15600557
|
|
69 -0.09777620 -0.07664930 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.11945488 0.07364039 -0.17657171
|
|
31 32 33 34 35
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.19985289
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.01646888
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.35113415
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.06460419
|
|
5 -2.32433592 2.24505542 2.57086784 -0.35572997 0.00000000
|
|
6 -2.24505542 -2.32433592 -0.35572997 -2.57086784 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 3.40535638
|
|
8 7.21648746 -6.97034114 -8.06684472 1.11620614 0.00000000
|
|
9 6.97034114 7.21648746 1.11620614 8.06684472 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -10.64907176
|
|
11 -0.70528062 0.68122429 0.93765554 -0.12974303 0.00000000
|
|
12 -0.68122429 -0.70528062 -0.12974303 -0.93765554 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 1.15560128
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00962485
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00421181 -0.00406815 0.01023277 -0.00141590 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00962485
|
|
18 0.00406815 0.00421181 -0.00141590 -0.01023277 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.03848287
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.00297094
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.02435029 0.02351973 -0.00102971 0.00014248 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.00297094
|
|
24 -0.02351973 -0.02435029 0.00014248 0.00102971 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.09855470
|
|
26 -3.49848095 3.37915167 3.80022712 -0.52583594 0.00000000
|
|
27 -1.51120257 -1.56456824 -0.23516098 -1.69951323 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435
|
|
29 -1.56456824 1.51120257 1.69951323 -0.23516098 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -1.51924796 1.46742811 1.77237839 -0.24524330 0.00000000
|
|
32 -3.37915167 -3.49848095 -0.52583594 -3.80022712 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435
|
|
34 -1.46742811 -1.51924796 -0.24524330 -1.77237839 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 5.14992567
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.16851731
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.03292119
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.34708158
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.03907285
|
|
40 -1.64019453 1.58424932 -3.40035757 0.47050614 0.00000000
|
|
41 -1.58424932 -1.64019453 0.47050614 3.40035757 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -2.41843229
|
|
43 5.07346516 -4.90041493 10.64177880 -1.47249876 0.00000000
|
|
44 4.90041493 5.07346516 -1.47249876 -10.64177880 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 7.49613322
|
|
46 -0.45920874 0.44354565 -1.17767743 0.16295476 0.00000000
|
|
47 -0.44354565 -0.45920874 0.16295476 1.17767743 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.77886293
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.01474143
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00619651 0.00598515 0.00800730 -0.00110797 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.01474143
|
|
53 -0.00598515 -0.00619651 -0.00110797 -0.00800730 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.06152138
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.01490355
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.02431077 -0.02348155 0.00953621 -0.00131952 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.01490355
|
|
59 0.02348155 0.02431077 -0.00131952 -0.00953621 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.24115903
|
|
61 -2.48928056 2.40437398 -5.06592495 0.70097005 0.00000000
|
|
62 -1.07526873 -1.11324011 0.31348334 2.26555051 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885
|
|
64 -1.11324011 1.07526873 -2.26555051 0.31348334 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -1.05624002 1.02021285 -2.31186275 0.31989154 0.00000000
|
|
67 -2.40437398 -2.48928056 0.70097005 5.06592495 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885
|
|
69 -1.02021285 -1.05624002 0.31989154 2.31186275 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -3.68124415
|
|
36 37 38 39 40
|
|
1 0.07973457 0.00000000 0.00000000 -0.39681557 0.00000000
|
|
2 0.05437839 0.00000000 0.00000000 0.05207627 0.00000000
|
|
3 0.03567584 0.00000000 0.00000000 0.76682035 0.00000000
|
|
4 0.38518807 0.00000000 0.00000000 0.00989912 0.00000000
|
|
5 0.00000000 -0.31113344 0.24860265 0.00000000 0.00000000
|
|
6 0.00000000 0.24860265 0.31113344 0.00000000 0.00000000
|
|
7 3.30042274 0.00000000 0.00000000 0.33321921 0.00000000
|
|
8 0.00000000 0.97205372 -0.77669287 0.00000000 0.00000000
|
|
9 0.00000000 -0.77669287 -0.97205372 0.00000000 0.00000000
|
|
10 -10.57017459 0.00000000 0.00000000 -1.38576692 0.00000000
|
|
11 0.00000000 -0.10305033 0.08233954 0.00000000 0.00000000
|
|
12 0.00000000 0.08233954 0.10305033 0.00000000 0.00000000
|
|
13 1.28018065 0.00000000 0.00000000 0.23812759 0.00000000
|
|
14 -0.02023194 0.00000000 0.00000000 -0.07034646 -0.01787353
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00001683
|
|
16 0.00000000 0.02012147 -0.01607751 0.00000000 0.00000000
|
|
17 -0.02023194 0.00000000 0.00000000 -0.07034646 0.01787353
|
|
18 0.00000000 -0.01607751 -0.02012147 0.00000000 0.00000000
|
|
19 0.09598162 0.00000000 0.00000000 0.02330793 0.00000000
|
|
20 0.04471528 0.00000000 0.00000000 -0.18731826 -0.01184740
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00001115
|
|
22 0.00000000 0.03904415 -0.03119715 0.00000000 0.00000000
|
|
23 0.04471528 0.00000000 0.00000000 -0.18731826 0.01184740
|
|
24 0.00000000 -0.03119715 -0.03904415 0.00000000 0.00000000
|
|
25 -0.50911716 0.00000000 0.00000000 -0.21491360 0.00000000
|
|
26 0.00000000 -0.11206096 0.08953924 0.00000000 0.00000000
|
|
27 0.00000000 0.04004316 0.05011519 0.00000000 0.00000000
|
|
28 2.10989071 0.00000000 0.00000000 -0.19660087 0.64360759
|
|
29 0.00000000 -0.05011519 0.04004316 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00060590
|
|
31 0.00000000 -0.79667175 0.63655872 0.00000000 0.00000000
|
|
32 0.00000000 0.08953924 0.11206096 0.00000000 0.00000000
|
|
33 2.10989071 0.00000000 0.00000000 -0.19660087 -0.64360759
|
|
34 0.00000000 0.63655872 0.79667175 0.00000000 0.00000000
|
|
35 4.94412793 0.00000000 0.00000000 1.30141176 0.00000000
|
|
36 -0.12440212 0.00000000 0.00000000 -0.38777186 0.00000000
|
|
37 -0.05063099 0.00000000 0.00000000 0.05192343 0.00000000
|
|
38 0.05253140 0.00000000 0.00000000 0.76691632 0.00000000
|
|
39 -0.38919572 0.00000000 0.00000000 0.01023949 0.00000000
|
|
40 0.00000000 -0.33102233 0.26449432 0.00000000 0.00000000
|
|
41 0.00000000 0.26449432 0.33102233 0.00000000 0.00000000
|
|
42 4.05420466 0.00000000 0.00000000 -0.38281693 0.00000000
|
|
43 0.00000000 1.03419584 -0.82634583 0.00000000 0.00000000
|
|
44 0.00000000 -0.82634583 -1.03419584 0.00000000 0.00000000
|
|
45 -12.92079408 0.00000000 0.00000000 1.54541748 0.00000000
|
|
46 0.00000000 -0.10719410 0.08565050 0.00000000 0.00000000
|
|
47 0.00000000 0.08565050 0.10719410 0.00000000 0.00000000
|
|
48 1.52583053 0.00000000 0.00000000 -0.25057729 0.00000000
|
|
49 0.01647935 0.00000000 0.00000000 -0.06909952 -0.01969866
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00001854
|
|
51 0.00000000 -0.02127727 0.01700102 0.00000000 0.00000000
|
|
52 0.01647935 0.00000000 0.00000000 -0.06909952 0.01969866
|
|
53 0.00000000 0.01700102 0.02127727 0.00000000 0.00000000
|
|
54 -0.08249701 0.00000000 0.00000000 0.02189534 0.00000000
|
|
55 -0.04213770 0.00000000 0.00000000 -0.18805745 -0.01454163
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00001369
|
|
57 0.00000000 -0.04391535 0.03508935 0.00000000 0.00000000
|
|
58 -0.04213770 0.00000000 0.00000000 -0.18805745 0.01454163
|
|
59 0.00000000 0.03508935 0.04391535 0.00000000 0.00000000
|
|
60 0.46620333 0.00000000 0.00000000 -0.23391692 0.00000000
|
|
61 0.00000000 -0.15241008 0.12177910 0.00000000 0.00000000
|
|
62 0.00000000 0.05446127 0.06815986 0.00000000 0.00000000
|
|
63 2.61098912 0.00000000 0.00000000 0.15893819 -0.56970138
|
|
64 0.00000000 -0.06815986 0.05446127 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00053632
|
|
66 0.00000000 -0.79170502 0.63259019 0.00000000 0.00000000
|
|
67 0.00000000 0.12177910 0.15241008 0.00000000 0.00000000
|
|
68 2.61098912 0.00000000 0.00000000 0.15893819 0.56970138
|
|
69 0.00000000 0.63259019 0.79170502 0.00000000 0.00000000
|
|
70 6.09171373 0.00000000 0.00000000 -1.36368427 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 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 0.00000000 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 0.00000000 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 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00001457 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.02063857 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00001457 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000966 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.01368020 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00000966 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 -0.74774097 0.04346634 -0.03740527 -0.25019144
|
|
27 0.00000000 -0.05831622 -1.00319978 0.33566704 -0.05018444
|
|
28 -0.00052472 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 1.00319978 -0.05831622 0.05018444 0.33566704
|
|
30 -0.74317403 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.04346634 0.74774097 -0.25019144 0.03740527
|
|
33 0.00052472 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 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 0.00000000 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 0.00000000 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 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00001606 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.02274605 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00001606 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00001186 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.01679123 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00001186 0.00000000 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 -0.25170530 0.01463168 0.11079198 0.74105080
|
|
62 0.00000000 -0.01963046 -0.33769810 -0.99422397 0.14864304
|
|
63 0.00046447 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.33769810 -0.01963046 -0.14864304 -0.99422397
|
|
65 0.65783449 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.01463168 0.25170530 0.74105080 -0.11079198
|
|
68 -0.00046447 0.00000000 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 1.99822186
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.57905017
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 -1.02053552
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.40891326
|
|
5 0.00000000 0.00000000 0.26798984 0.16132339 0.00000000
|
|
6 0.00000000 0.00000000 -0.16132339 0.26798984 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 1.55743189
|
|
8 0.00000000 0.00000000 -0.76581430 -0.46100166 0.00000000
|
|
9 0.00000000 0.00000000 0.46100166 -0.76581430 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 -4.98107574
|
|
11 0.00000000 0.00000000 0.03251068 0.01957064 0.00000000
|
|
12 0.00000000 0.00000000 -0.01957064 0.03251068 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.52211643
|
|
14 -0.02457449 -0.00006069 0.00000000 0.00000000 0.16501690
|
|
15 0.00007007 -0.02837617 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.11991914 -0.07218842 0.00000000
|
|
17 0.02457449 0.00006069 0.00000000 0.00000000 0.16501690
|
|
18 0.00000000 0.00000000 0.07218842 -0.11991914 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.35605034
|
|
20 -0.01435238 -0.00003544 0.00000000 0.00000000 0.01824681
|
|
21 0.00004093 -0.01657270 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.06244135 -0.03758818 0.00000000
|
|
23 0.01435238 0.00003544 0.00000000 0.00000000 0.01824681
|
|
24 0.00000000 0.00000000 0.03758818 -0.06244135 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.28164868
|
|
26 0.00000000 0.00000000 0.72308558 0.43528001 0.00000000
|
|
27 0.00000000 0.00000000 -0.19466314 0.32337370 0.00000000
|
|
28 -0.57869616 -0.00142907 0.00000000 0.00000000 1.42739029
|
|
29 0.00000000 0.00000000 0.32337370 0.19466314 0.00000000
|
|
30 0.00165015 -0.66822076 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.50348119 -0.30308349 0.00000000
|
|
32 0.00000000 0.00000000 -0.43528001 0.72308558 0.00000000
|
|
33 0.57869616 0.00142907 0.00000000 0.00000000 1.42739029
|
|
34 0.00000000 0.00000000 0.30308349 -0.50348119 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 1.53617714
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -1.96079497
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.57004011
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.99841380
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.39896370
|
|
40 0.00000000 0.00000000 -0.26457306 -0.15926657 0.00000000
|
|
41 0.00000000 0.00000000 0.15926657 -0.26457306 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 1.55946318
|
|
43 0.00000000 0.00000000 0.75750508 0.45599971 0.00000000
|
|
44 0.00000000 0.00000000 -0.45599971 0.75750508 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -4.97988897
|
|
46 0.00000000 0.00000000 -0.03138604 -0.01889364 0.00000000
|
|
47 0.00000000 0.00000000 0.01889364 -0.03138604 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.51900934
|
|
49 0.02117054 0.00005228 0.00000000 0.00000000 -0.16142326
|
|
50 -0.00006037 0.02444563 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.11400089 -0.06862578 0.00000000
|
|
52 -0.02117054 -0.00005228 0.00000000 0.00000000 -0.16142326
|
|
53 0.00000000 0.00000000 0.06862578 -0.11400089 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.34011210
|
|
55 0.01356593 0.00003350 0.00000000 0.00000000 -0.02054215
|
|
56 -0.00003868 0.01566458 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.06413607 -0.03860836 0.00000000
|
|
58 -0.01356593 -0.00003350 0.00000000 0.00000000 -0.02054215
|
|
59 0.00000000 0.00000000 0.03860836 -0.06413607 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.29104731
|
|
61 0.00000000 0.00000000 -0.73109860 -0.44010365 0.00000000
|
|
62 0.00000000 0.00000000 0.19682034 -0.32695723 0.00000000
|
|
63 -0.65152599 -0.00160892 0.00000000 0.00000000 1.43456216
|
|
64 0.00000000 0.00000000 -0.32695723 -0.19682034 0.00000000
|
|
65 0.00185782 -0.75231741 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.52369104 0.31524932 0.00000000
|
|
67 0.00000000 0.00000000 0.44010365 -0.73109860 0.00000000
|
|
68 0.65152599 0.00160892 0.00000000 0.00000000 1.43456216
|
|
69 0.00000000 0.00000000 -0.31524932 0.52369104 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 1.52900888
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.01595016 0.02368950 0.00000000
|
|
6 0.00000000 0.00000000 -0.02368950 0.01595016 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.07968950 -0.11835649 0.00000000
|
|
9 0.00000000 0.00000000 0.11835649 -0.07968950 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 -0.00453658 -0.00673782 0.00000000
|
|
12 0.00000000 0.00000000 0.00673782 -0.00453658 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00123533 -0.86556318 0.00000000 0.00000000 -0.00280848
|
|
15 0.99946628 0.00142643 0.00000000 0.00000000 -0.70648074
|
|
16 0.00000000 0.00000000 -0.49799915 -0.73963859 0.00000000
|
|
17 -0.00123533 0.86556318 0.00000000 0.00000000 0.00280848
|
|
18 0.00000000 0.00000000 0.73963859 -0.49799915 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 -0.00058777 0.41183726 0.00000000 0.00000000 0.00145493
|
|
21 -0.47554871 -0.00067870 0.00000000 0.00000000 0.36599196
|
|
22 0.00000000 0.00000000 0.22540070 0.33476975 0.00000000
|
|
23 0.00058777 -0.41183726 0.00000000 0.00000000 -0.00145493
|
|
24 0.00000000 0.00000000 -0.33476975 0.22540070 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.05568375 0.08270265 0.00000000
|
|
27 0.00000000 0.00000000 -0.03698575 0.02490253 0.00000000
|
|
28 0.00002756 -0.01931340 0.00000000 0.00000000 0.00015379
|
|
29 0.00000000 0.00000000 0.02490253 0.03698575 0.00000000
|
|
30 0.02230120 0.00003183 0.00000000 0.00000000 0.03868520
|
|
31 0.00000000 0.00000000 -0.00773541 -0.01148880 0.00000000
|
|
32 0.00000000 0.00000000 -0.08270265 0.05568375 0.00000000
|
|
33 -0.00002756 0.01931340 0.00000000 0.00000000 -0.00015379
|
|
34 0.00000000 0.00000000 0.01148880 -0.00773541 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.01486568 0.02207882 0.00000000
|
|
41 0.00000000 0.00000000 -0.02207882 0.01486568 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.07243302 -0.10757902 0.00000000
|
|
44 0.00000000 0.00000000 0.10757902 -0.07243302 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 -0.01376002 -0.02043666 0.00000000
|
|
47 0.00000000 0.00000000 0.02043666 -0.01376002 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00085627 -0.59996968 0.00000000 0.00000000 0.00400960
|
|
50 0.69278532 0.00098874 0.00000000 0.00000000 1.00862336
|
|
51 0.00000000 0.00000000 0.45459264 0.67517035 0.00000000
|
|
52 -0.00085627 0.59996968 0.00000000 0.00000000 -0.00400960
|
|
53 0.00000000 0.00000000 -0.67517035 0.45459264 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.00039263 0.27510793 0.00000000 0.00000000 -0.00201149
|
|
56 -0.31766728 -0.00045337 0.00000000 0.00000000 -0.50599483
|
|
57 0.00000000 0.00000000 -0.19427721 -0.28854452 0.00000000
|
|
58 0.00039263 -0.27510793 0.00000000 0.00000000 0.00201149
|
|
59 0.00000000 0.00000000 0.28854452 -0.19427721 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.06083307 0.09035053 0.00000000
|
|
62 0.00000000 0.00000000 -0.04040599 0.02720538 0.00000000
|
|
63 -0.00004384 0.03071501 0.00000000 0.00000000 0.00011585
|
|
64 0.00000000 0.00000000 0.02720538 0.04040599 0.00000000
|
|
65 -0.03546663 -0.00005062 0.00000000 0.00000000 0.02914123
|
|
66 0.00000000 0.00000000 -0.02145324 -0.03186279 0.00000000
|
|
67 0.00000000 0.00000000 -0.09035053 0.06083307 0.00000000
|
|
68 0.00004384 -0.03071501 0.00000000 0.00000000 -0.00011585
|
|
69 0.00000000 0.00000000 0.03186279 -0.02145324 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 0.00000000 -0.91430397 -5.16686471
|
|
2 0.00000000 0.00000000 0.00000000 0.25313062 0.79283999
|
|
3 0.00000000 0.00000000 0.00000000 0.72868055 4.65413435
|
|
4 0.00000000 0.00000000 0.00000000 0.26354298 1.27547876
|
|
5 0.00000000 0.02026991 0.00727060 0.00000000 0.00000000
|
|
6 0.00000000 0.00727060 -0.02026991 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.26592124 -0.84377668
|
|
8 0.00000000 -0.10034878 -0.03599404 0.00000000 0.00000000
|
|
9 0.00000000 -0.03599404 0.10034878 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 -1.57047096 2.95249185
|
|
11 0.00000000 0.16174280 0.05801542 0.00000000 0.00000000
|
|
12 0.00000000 0.05801542 -0.16174280 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.24210436 0.69800131
|
|
14 -0.61183027 0.00000000 0.00000000 0.42414886 0.59000807
|
|
15 0.00324296 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.80817154 -0.28988253 0.00000000 0.00000000
|
|
17 0.61183027 0.00000000 0.00000000 0.42414886 0.59000807
|
|
18 0.00000000 -0.28988253 0.80817154 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 -0.91092855 -0.66124119
|
|
20 0.31695834 0.00000000 0.00000000 -0.37269984 -0.86884002
|
|
21 -0.00168001 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.54994237 0.19725847 0.00000000 0.00000000
|
|
23 -0.31695834 0.00000000 0.00000000 -0.37269984 -0.86884002
|
|
24 0.00000000 0.19725847 -0.54994237 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.36292731 0.75375936
|
|
26 0.00000000 -0.08966574 -0.03216215 0.00000000 0.00000000
|
|
27 0.00000000 -0.01438335 0.04009974 0.00000000 0.00000000
|
|
28 0.03350236 0.00000000 0.00000000 0.30586469 -0.89312084
|
|
29 0.00000000 -0.04009974 -0.01438335 0.00000000 0.00000000
|
|
30 -0.00017758 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.19842746 0.07117382 0.00000000 0.00000000
|
|
32 0.00000000 -0.03216215 0.08966574 0.00000000 0.00000000
|
|
33 -0.03350236 0.00000000 0.00000000 0.30586469 -0.89312084
|
|
34 0.00000000 0.07117382 -0.19842746 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.82087307 -1.03206679
|
|
36 0.00000000 0.00000000 0.00000000 -0.74796995 4.54402856
|
|
37 0.00000000 0.00000000 0.00000000 0.23130099 -0.65812651
|
|
38 0.00000000 0.00000000 0.00000000 0.56334493 -4.23821712
|
|
39 0.00000000 0.00000000 0.00000000 0.22254769 -1.11090822
|
|
40 0.00000000 -0.02334155 -0.00837237 0.00000000 0.00000000
|
|
41 0.00000000 -0.00837237 0.02334155 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 -0.31181355 -0.80873440
|
|
43 0.00000000 0.11468528 0.04113639 0.00000000 0.00000000
|
|
44 0.00000000 0.04113639 -0.11468528 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 1.69838774 2.73792963
|
|
46 0.00000000 -0.16080764 -0.05767999 0.00000000 0.00000000
|
|
47 0.00000000 -0.05767999 0.16080764 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 -0.20687207 0.71858602
|
|
49 0.87349345 0.00000000 0.00000000 0.40401618 -0.57772504
|
|
50 -0.00462988 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.87828352 -0.31503095 0.00000000 0.00000000
|
|
52 -0.87349345 0.00000000 0.00000000 0.40401618 -0.57772504
|
|
53 0.00000000 -0.31503095 0.87828352 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 -0.88239316 0.72114313
|
|
55 -0.43820438 0.00000000 0.00000000 -0.33762239 0.83469346
|
|
56 0.00232267 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.57955677 0.20788084 0.00000000 0.00000000
|
|
58 0.43820438 0.00000000 0.00000000 -0.33762239 0.83469346
|
|
59 0.00000000 0.20788084 -0.57955677 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.31569729 -0.80974172
|
|
61 0.00000000 0.08054715 0.02889141 0.00000000 0.00000000
|
|
62 0.00000000 0.01292063 -0.03602178 0.00000000 0.00000000
|
|
63 0.02523705 0.00000000 0.00000000 -0.34857901 -0.84088307
|
|
64 0.00000000 0.03602178 0.01292063 0.00000000 0.00000000
|
|
65 -0.00013377 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 -0.19873857 -0.07128541 0.00000000 0.00000000
|
|
67 0.00000000 0.02889141 -0.08054715 0.00000000 0.00000000
|
|
68 -0.02523705 0.00000000 0.00000000 -0.34857901 -0.84088307
|
|
69 0.00000000 -0.07128541 0.19873857 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 -0.84818922 -0.91695333
|
|
61 62 63 64 65
|
|
1 9.61323450 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 -2.11637812 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 -6.33178262 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 -2.55871399 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.83137249 1.04429602 0.51178170 0.06713790
|
|
6 0.00000000 1.04429602 -0.83137249 -0.06713790 0.51178170
|
|
7 0.39851315 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 -5.45336767 -6.85003438 -3.01204120 -0.39513354
|
|
9 0.00000000 -6.85003438 5.45336767 0.39513354 -3.01204120
|
|
10 -2.74100965 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.40511549 0.50886996 0.28083080 0.03684069
|
|
12 0.00000000 0.50886996 -0.40511549 -0.03684069 0.28083080
|
|
13 0.27038239 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 -0.41081196 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00416379 0.00523018 -0.00727245 -0.00095403
|
|
17 -0.41081196 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00523018 -0.00416379 0.00095403 -0.00727245
|
|
19 -0.39449245 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.63408690 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 -0.00051760 -0.00065016 -0.00882748 -0.00115803
|
|
23 0.63408690 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 -0.00065016 0.00051760 0.00115803 -0.00882748
|
|
25 0.67296231 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 3.05199484 3.83364388 1.66923830 0.21897842
|
|
27 0.00000000 1.71445766 -1.36489359 -0.09793013 0.74650606
|
|
28 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 1.36489359 1.71445766 0.74650606 0.09793013
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 1.36865418 1.71918139 0.68373831 0.08969596
|
|
32 0.00000000 3.83364388 -3.05199484 -0.21897842 1.66923830
|
|
33 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 1.71918139 -1.36865418 -0.08969596 0.68373831
|
|
35 1.54471690 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 9.05327853 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 -1.95709005 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 -6.07150089 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 -2.42527606 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.19158378 0.24065047 -1.36914424 -0.17961069
|
|
41 0.00000000 0.24065047 -0.19158378 0.17961069 -1.36914424
|
|
42 -0.45728792 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 -1.44952860 -1.82076862 8.84413322 1.16021442
|
|
44 0.00000000 -1.82076862 1.44952860 -1.16021442 8.84413322
|
|
45 2.72647419 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.07746587 0.09730572 -0.68795640 -0.09024931
|
|
47 0.00000000 0.09730572 -0.07746587 0.09024931 -0.68795640
|
|
48 -0.15098303 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 -0.43063928 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.00642543 -0.00807106 0.00112768 0.00014793
|
|
52 -0.43063928 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 -0.00807106 0.00642543 -0.00014793 0.00112768
|
|
54 -0.26233687 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.65343597 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.00423509 -0.00531975 -0.00544698 -0.00071456
|
|
58 0.65343597 0.00000000 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 -0.00531975 0.00423509 0.00071456 -0.00544698
|
|
60 0.47733131 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.82031464 1.03040614 -4.94321127 -0.64847339
|
|
62 0.00000000 0.46081163 -0.36685586 0.29000611 -2.21067129
|
|
63 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.36685586 0.46081163 -2.21067129 -0.29000611
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.40230494 0.50533961 -2.18056745 -0.28605695
|
|
67 0.00000000 1.03040614 -0.82031464 0.64847339 -4.94321127
|
|
68 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 0.50533961 -0.40230494 0.28605695 -2.18056745
|
|
70 -1.43928750 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 67 68 69 70
|
|
1 0.67374192 5.06903094 7.36843430 55.34597239 -55.23778927
|
|
2 -0.02292351 -1.07008739 -1.64954003 -26.79314638 26.63014411
|
|
3 -0.51849138 -3.13943261 -4.55872622 -32.46562081 32.98547950
|
|
4 -0.39018848 -1.34903984 -1.90251491 -15.66379903 15.32763483
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -1.63582044 -1.00446882 -0.84765046 -0.10325321 0.51407416
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 8.92292662 5.78739223 2.38641600 0.43268520 -1.76791714
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.85456055 -0.33907846 0.24270413 0.00306501 0.20789548
|
|
14 -0.10693879 -0.14166100 -0.20387877 3.58419758 -3.54802899
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.10693879 -0.14166100 -0.20387877 3.58419758 -3.54802899
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.07179921 -0.49871520 -0.77244414 3.53302687 -3.50189595
|
|
20 0.04284688 0.23211919 0.24882262 3.34076377 -3.36447014
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.04284688 0.23211919 0.24882262 3.34076377 -3.36447014
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.21282646 0.45144690 1.33564550 3.27686291 -3.69327782
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -2.18062618 -1.47190353 -0.68829943 -0.09774661 0.41979710
|
|
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 -2.18062618 -1.47190353 -0.68829943 -0.09774661 0.41979710
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -4.65160127 -3.15406536 -0.62186670 -0.26725816 0.65608638
|
|
36 0.84730055 2.42396366 -9.50679960 54.37181300 56.20032325
|
|
37 -0.29470678 -0.45177522 2.09403727 -26.32286897 -27.09549766
|
|
38 -0.45219843 -1.52111899 5.91871942 -31.88334392 -33.54941647
|
|
39 -0.02308724 -0.71040331 2.48431798 -15.39355291 -15.60019198
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 -1.40660152 1.03818286 -1.12256768 0.09416366 0.51568163
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 7.56741977 -6.69347846 4.05574794 -0.40139965 -1.77474638
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 -0.75426621 0.58931606 0.12013751 -0.00677022 0.20775649
|
|
49 0.05441214 -0.08778268 0.28201243 3.52144073 3.61015494
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.05441214 -0.08778268 0.28201243 3.52144073 3.61015494
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.04572149 -0.23109273 0.92868464 3.47102514 3.56313405
|
|
55 0.04208245 0.13847152 -0.36687690 3.28111023 3.42225621
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.04208245 0.13847152 -0.36687690 3.28111023 3.42225621
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 -0.11297404 0.03880766 -1.47002968 3.21153583 3.74991817
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 -1.84331057 1.65738462 -1.10492329 0.09033808 0.42135603
|
|
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 -1.84331057 1.65738462 -1.10492329 0.09033808 0.42135603
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 -3.89390443 3.81542237 -1.55707541 0.25556829 0.66041110
|
|
|
|
-----------------------------------------
|
|
UHF spin-down orbital coefficients
|
|
-----------------------------------------
|
|
1 2 3 4 5
|
|
1 0.18539668 0.73729390 -0.06884274 0.08620034 0.00000000
|
|
2 -0.01473062 0.02768972 -0.08641907 -0.35200289 0.00000000
|
|
3 -0.04302718 -0.75720545 0.79490691 2.79426047 0.00000000
|
|
4 -0.02910476 1.09418503 -0.00953971 -2.32473932 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.39232786
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 -0.15197883
|
|
7 0.00218596 0.02074663 0.09993008 -0.04015351 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 -1.42234773
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.55098494
|
|
10 -0.00049365 -0.07963024 -0.36730798 0.14551561 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.72551279
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 -0.28104704
|
|
13 0.01327989 0.03034712 0.16334190 -0.07064531 0.00000000
|
|
14 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00138969
|
|
17 0.00055091 0.00813520 -0.00849349 -0.02195913 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00053833
|
|
19 0.00077095 0.00836480 -0.00601766 -0.02348563 0.00000000
|
|
20 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00930906
|
|
23 0.00053149 0.07669498 -0.08470093 -0.29777275 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00360612
|
|
25 0.00351615 0.07522757 -0.10798362 -0.29541427 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.57441641
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 -0.09951208
|
|
28 0.00053755 0.01456127 0.06378179 -0.02914378 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.25688683
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.25337449
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 -0.22251576
|
|
33 0.00053755 0.01456127 0.06378179 -0.02914378 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 -0.09815148
|
|
35 0.00221922 0.03108954 0.14474226 -0.05688075 0.00000000
|
|
36 0.96845693 -0.28595029 -0.09423841 -0.12843975 0.00000000
|
|
37 -0.00836573 -0.01436429 -0.24709492 0.09225234 0.00000000
|
|
38 -0.00954415 0.09415900 2.48149782 -0.87150363 0.00000000
|
|
39 0.00023687 -0.52013637 -2.10455034 1.32947166 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.50823794
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 -0.19687974
|
|
42 -0.00112456 0.01205562 -0.02270412 -0.15227729 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 -1.82994393
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.70887837
|
|
45 0.00256117 -0.05899609 0.07908190 0.54820435 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 1.02043771
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 -0.39529420
|
|
48 -0.00793625 -0.01793625 -0.05366791 -0.29121120 0.00000000
|
|
49 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00147435
|
|
52 0.00078322 -0.00079852 -0.02210578 0.00516140 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00057113
|
|
54 0.00072960 -0.00147304 -0.02188178 0.00839401 0.00000000
|
|
55 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00895159
|
|
58 0.00044446 -0.01363735 -0.25930626 0.08767215 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00346764
|
|
60 0.00226012 -0.00464513 -0.26849803 0.06496954 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.74070984
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 -0.12832080
|
|
63 -0.00052701 0.00930976 -0.01157759 -0.09852495 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.33125551
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.32864871
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 -0.28693403
|
|
68 -0.00052701 0.00930976 -0.01157759 -0.09852495 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 -0.12731098
|
|
70 -0.00166309 0.01950152 -0.03249578 -0.21849271 0.00000000
|
|
6 7 8 9 10
|
|
1 0.00000000 -0.00477645 0.00000000 0.00000000 -0.37824643
|
|
2 0.00000000 -0.13201893 0.00000000 0.00000000 0.11902922
|
|
3 0.00000000 1.08426435 0.00000000 0.00000000 -0.32635235
|
|
4 0.00000000 -0.39905354 0.00000000 0.00000000 -0.92507641
|
|
5 0.15197883 0.00000000 -0.66687413 0.07674608 0.00000000
|
|
6 0.39232786 0.00000000 0.07674608 0.66687413 0.00000000
|
|
7 0.00000000 -0.46702822 0.00000000 0.00000000 -0.80609498
|
|
8 -0.55098494 0.00000000 2.43383768 -0.28009408 0.00000000
|
|
9 -1.42234773 0.00000000 -0.28009408 -2.43383768 0.00000000
|
|
10 0.00000000 1.70566793 0.00000000 0.00000000 2.97195337
|
|
11 0.28104704 0.00000000 -1.39543581 0.16059136 0.00000000
|
|
12 0.72551279 0.00000000 0.16059136 1.39543581 0.00000000
|
|
13 0.00000000 -0.88557339 0.00000000 0.00000000 -2.29725567
|
|
14 0.00000000 -0.00497128 0.00000000 0.00000000 -0.00931461
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00053833 0.00000000 -0.00077649 0.00008936 0.00000000
|
|
17 0.00000000 -0.00497128 0.00000000 0.00000000 -0.00931461
|
|
18 0.00138969 0.00000000 0.00008936 0.00077649 0.00000000
|
|
19 0.00000000 -0.00747634 0.00000000 0.00000000 -0.00230745
|
|
20 0.00000000 -0.11467860 0.00000000 0.00000000 0.02369886
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00360612 0.00000000 0.00290087 -0.00033384 0.00000000
|
|
23 0.00000000 -0.11467860 0.00000000 0.00000000 0.02369886
|
|
24 -0.00930906 0.00000000 -0.00033384 -0.00290087 0.00000000
|
|
25 0.00000000 -0.07548666 0.00000000 0.00000000 -0.03998901
|
|
26 0.22251576 0.00000000 -0.96776938 0.11137410 0.00000000
|
|
27 0.25688683 0.00000000 0.04980801 0.43279963 0.00000000
|
|
28 0.00000000 -0.29869463 0.00000000 0.00000000 -0.51568416
|
|
29 0.09951208 0.00000000 -0.43279963 0.04980801 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.09815148 0.00000000 -0.43672971 0.05026030 0.00000000
|
|
32 0.57441641 0.00000000 0.11137410 0.96776938 0.00000000
|
|
33 0.00000000 -0.29869463 0.00000000 0.00000000 -0.51568416
|
|
34 0.25337449 0.00000000 0.05026030 0.43672971 0.00000000
|
|
35 0.00000000 -0.68468199 0.00000000 0.00000000 -1.15601653
|
|
36 0.00000000 -0.08220221 0.00000000 0.00000000 0.58471085
|
|
37 0.00000000 -0.07721164 0.00000000 0.00000000 -0.00637790
|
|
38 0.00000000 0.77702752 0.00000000 0.00000000 -0.19231950
|
|
39 0.00000000 -0.32792202 0.00000000 0.00000000 0.98226748
|
|
40 0.19687974 0.00000000 0.48938178 -0.05631967 0.00000000
|
|
41 0.50823794 0.00000000 -0.05631967 -0.48938178 0.00000000
|
|
42 0.00000000 0.50328721 0.00000000 0.00000000 -0.70777721
|
|
43 -0.70887837 0.00000000 -1.77571961 0.20435568 0.00000000
|
|
44 -1.82994393 0.00000000 0.20435568 1.77571961 0.00000000
|
|
45 0.00000000 -1.82482664 0.00000000 0.00000000 2.59848168
|
|
46 0.39529420 0.00000000 1.10223046 -0.12684832 0.00000000
|
|
47 1.02043771 0.00000000 -0.12684832 -1.10223046 0.00000000
|
|
48 0.00000000 1.06535609 0.00000000 0.00000000 -2.15609561
|
|
49 0.00000000 -0.00403115 0.00000000 0.00000000 0.01380198
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00057113 0.00000000 -0.00095111 0.00010946 0.00000000
|
|
52 0.00000000 -0.00403115 0.00000000 0.00000000 0.01380198
|
|
53 -0.00147435 0.00000000 0.00010946 0.00095111 0.00000000
|
|
54 0.00000000 -0.00546335 0.00000000 0.00000000 0.00666615
|
|
55 0.00000000 -0.08294510 0.00000000 0.00000000 0.04843489
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00346764 0.00000000 0.00494376 -0.00056894 0.00000000
|
|
58 0.00000000 -0.08294510 0.00000000 0.00000000 0.04843489
|
|
59 0.00895159 0.00000000 -0.00056894 -0.00494376 0.00000000
|
|
60 0.00000000 -0.04979331 0.00000000 0.00000000 0.11689357
|
|
61 0.28693403 0.00000000 0.70691836 -0.08135450 0.00000000
|
|
62 0.33125551 0.00000000 -0.03638284 -0.31614350 0.00000000
|
|
63 0.00000000 0.32084785 0.00000000 0.00000000 -0.45245045
|
|
64 0.12832080 0.00000000 0.31614350 -0.03638284 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.12731098 0.00000000 0.32093743 -0.03693454 0.00000000
|
|
67 0.74070984 0.00000000 -0.08135450 -0.70691836 0.00000000
|
|
68 0.00000000 0.32084785 0.00000000 0.00000000 -0.45245045
|
|
69 0.32864871 0.00000000 -0.03693454 -0.32093743 0.00000000
|
|
70 0.00000000 0.73494661 0.00000000 0.00000000 -1.01180801
|
|
11 12 13 14 15
|
|
1 -0.85463265 -2.76646328 -0.19379192 0.00000000 0.00000000
|
|
2 -0.21194795 -1.49369655 -0.06678171 0.00000000 0.00000000
|
|
3 1.16806641 7.22179122 0.28430753 0.00000000 0.00000000
|
|
4 0.01965844 -0.69864915 0.05164603 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 1.10560117 -0.10419389
|
|
6 0.00000000 0.00000000 0.00000000 0.10419389 1.10560117
|
|
7 -0.05512236 0.20198926 -1.29016216 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 -4.15162382 0.39125666
|
|
9 0.00000000 0.00000000 0.00000000 -0.39125666 -4.15162382
|
|
10 0.20742113 -0.77940274 4.92959265 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.73032939 -0.06882758
|
|
12 0.00000000 0.00000000 0.00000000 0.06882758 0.73032939
|
|
13 -0.56945885 0.77668532 -0.97210482 0.00000000 0.00000000
|
|
14 -0.02251516 -0.05429740 0.01336321 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.04773591 -0.00449872
|
|
17 -0.02251516 -0.05429740 0.01336321 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00449872 0.04773591
|
|
19 -0.00913393 -0.06185606 -0.00995662 0.00000000 0.00000000
|
|
20 -0.19209773 -1.04241925 -0.08788076 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 -0.34735568 0.03273544
|
|
23 -0.19209773 -1.04241925 -0.08788076 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.03273544 -0.34735568
|
|
25 -0.33991017 -1.00228904 0.22834533 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 1.64307708 -0.15484660
|
|
27 0.00000000 0.00000000 0.00000000 0.06924951 0.73480641
|
|
28 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.73480641 -0.06924951
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.71295816 -0.06719049
|
|
32 0.00000000 0.00000000 0.00000000 0.15484660 1.64307708
|
|
33 -0.03410073 0.12053557 -0.83555421 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.06719049 0.71295816
|
|
35 -0.08617209 0.29222331 -1.91613209 0.00000000 0.00000000
|
|
36 -2.69267120 0.68647589 -0.15540312 0.00000000 0.00000000
|
|
37 -1.41902602 0.57209044 -0.02964106 0.00000000 0.00000000
|
|
38 6.89470245 -2.63670884 0.15492929 0.00000000 0.00000000
|
|
39 -0.62873883 0.41376809 -0.01106634 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 1.64591596 -0.15511414
|
|
41 0.00000000 0.00000000 0.00000000 0.15511414 1.64591596
|
|
42 -0.20073485 0.07559760 1.41810231 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 -6.22878890 0.58701251
|
|
44 0.00000000 0.00000000 0.00000000 -0.58701251 -6.22878890
|
|
45 0.76526886 -0.29549447 -5.44443822 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 1.19584059 -0.11269821
|
|
47 0.00000000 0.00000000 0.00000000 0.11269821 1.19584059
|
|
48 -0.57202862 0.73098247 1.17777611 0.00000000 0.00000000
|
|
49 -0.05498782 0.00772003 0.01292676 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 -0.04988898 0.00470163
|
|
52 -0.05498782 0.00772003 0.01292676 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.00470163 -0.04988898
|
|
54 -0.05550928 0.02289879 -0.00885692 0.00000000 0.00000000
|
|
55 -0.96755590 0.35345794 -0.06742081 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.36557758 -0.03445270
|
|
58 -0.96755590 0.35345794 -0.06742081 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.03445270 0.36557758
|
|
60 -1.00263892 0.20242454 0.24113229 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 2.43827458 -0.22978748
|
|
62 0.00000000 0.00000000 0.00000000 0.10276408 1.09042954
|
|
63 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 1.09042954 -0.10276408
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 1.07359400 -0.10117747
|
|
67 0.00000000 0.00000000 0.00000000 0.22978748 2.43827458
|
|
68 -0.12152918 0.04252282 0.91895635 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.10117747 1.07359400
|
|
70 -0.28568661 0.11512199 2.10392302 0.00000000 0.00000000
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.44376460 -0.05813641 0.07847166 -1.97097843 0.00000000
|
|
6 -0.05813641 -0.44376460 1.97097843 0.07847166 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 -1.68177763 0.22032517 -0.29748356 7.47191659 0.00000000
|
|
9 0.22032517 1.68177763 -7.47191659 -0.29748356 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.49471435 -0.06481120 0.05720307 -1.43677386 0.00000000
|
|
12 -0.06481120 -0.49471435 1.43677386 0.05720307 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.08268192
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00015099
|
|
16 0.07126381 -0.00933608 -0.00145404 0.03652115 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.08268192
|
|
18 -0.00933608 -0.07126381 -0.03652115 -0.00145404 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.57212234
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00104477
|
|
22 -0.49826021 0.06527573 0.01096511 -0.27541138 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 0.57212234
|
|
24 0.06527573 0.49826021 0.27541138 0.01096511 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.64665799 -0.08471693 0.11552681 -2.90169552 0.00000000
|
|
27 -0.03788656 -0.28919424 1.29767769 0.05166516 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -0.00790968
|
|
29 0.28919424 -0.03788656 0.05166516 -1.29767769 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001444
|
|
31 0.29132989 -0.03816635 0.05209276 -1.30841778 0.00000000
|
|
32 -0.08471693 -0.64665799 2.90169552 0.11552681 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 0.00790968
|
|
34 -0.03816635 -0.29132989 1.30841778 0.05209276 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 -1.40971644 0.18468316 -0.02633448 0.66144516 0.00000000
|
|
41 0.18468316 1.40971644 -0.66144516 -0.02633448 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 5.37802929 -0.70456117 0.10080951 -2.53204001 0.00000000
|
|
44 -0.70456117 -5.37802929 2.53204001 0.10080951 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 -1.03132462 0.13511107 -0.02639750 0.66302798 0.00000000
|
|
47 0.13511107 1.03132462 -0.66302798 -0.02639750 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.10012841
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00018285
|
|
51 -0.07020399 0.00919724 0.00172975 -0.04344634 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.10012841
|
|
53 0.00919724 0.07020399 0.04344634 0.00172975 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.71600394
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00130751
|
|
57 0.52677962 -0.06901198 -0.01206565 0.30305372 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.71600394
|
|
59 -0.06901198 -0.52677962 -0.30305372 -0.01206565 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 -2.07659863 0.27204961 -0.03837044 0.96375329 0.00000000
|
|
62 0.12166428 0.92868314 -0.43100357 -0.01715978 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.00616804
|
|
64 -0.92868314 0.12166428 -0.01715978 0.43100357 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00001126
|
|
66 -0.94111477 0.12329292 -0.01766769 0.44376065 0.00000000
|
|
67 0.27204961 2.07659863 -0.96375329 -0.03837044 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 -0.00616804
|
|
69 0.12329292 0.94111477 -0.44376065 -0.01766769 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 0.00000000 0.28179398 -0.18190342
|
|
2 0.00000000 0.00000000 0.00000000 -0.17551774 -0.09342857
|
|
3 0.00000000 0.00000000 0.00000000 0.05571977 -0.18774860
|
|
4 0.00000000 0.00000000 0.00000000 0.64545590 0.22222997
|
|
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 1.70936961 1.22146749
|
|
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 -6.56194825 -4.61017736
|
|
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 2.09441676 0.93964545
|
|
14 0.00013076 -0.09959548 -0.00008255 0.02278513 0.03961636
|
|
15 -0.09547286 -0.00009533 0.11500295 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00013076 0.09959548 0.00008255 0.02278513 0.03961636
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00976544 -0.07232846
|
|
20 -0.00090480 0.74040190 0.00061372 0.01048437 -0.28195229
|
|
21 0.66062997 0.00070866 -0.85494248 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00090480 -0.74040190 -0.00061372 0.01048437 -0.28195229
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.23133280 0.72282361
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -0.00001251 -0.00799618 -0.00000663 1.10592367 0.81609992
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00913332 -0.00000765 0.00923319 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 0.00001251 0.00799618 0.00000663 1.10592367 0.81609992
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 2.48299588 1.78752904
|
|
36 0.00000000 0.00000000 0.00000000 -0.25915707 -0.20359642
|
|
37 0.00000000 0.00000000 0.00000000 0.18579069 -0.07839607
|
|
38 0.00000000 0.00000000 0.00000000 0.01443597 -0.17564312
|
|
39 0.00000000 0.00000000 0.00000000 -0.67812783 0.14824875
|
|
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 1.71868887 -0.98720430
|
|
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 -6.62363117 3.71795003
|
|
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 2.13380631 -0.71788072
|
|
49 0.00015835 0.07790141 0.00006457 -0.02967004 0.03754998
|
|
50 -0.11561833 0.00007456 -0.08995280 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00015835 -0.07790141 -0.00006457 -0.02967004 0.03754998
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 -0.00159498 -0.07337536
|
|
55 -0.00113234 -0.60045215 -0.00049772 0.01561461 -0.28732086
|
|
56 0.82677013 -0.00057471 0.69334242 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00113234 0.60045215 0.00049772 0.01561461 -0.28732086
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 -0.36057125 0.72003763
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000975 -0.00998193 -0.00000827 1.11587948 -0.66517326
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 -0.00712224 -0.00000955 0.01152613 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 -0.00000975 0.00998193 0.00000827 1.11587948 -0.66517326
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 2.49769395 -1.44635128
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 0.62998308 1.38105238 -0.58978705
|
|
2 0.00000000 0.00000000 -0.26456219 0.31213375 0.58057570
|
|
3 0.00000000 0.00000000 -1.44122575 -6.39600931 0.90577443
|
|
4 0.00000000 0.00000000 0.03298918 0.50698637 -0.34338972
|
|
5 0.20516011 0.15259265 0.00000000 0.00000000 0.00000000
|
|
6 0.15259265 -0.20516011 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.06679559 -0.07781427 -0.17966082
|
|
8 -0.76970418 -0.57248554 0.00000000 0.00000000 0.00000000
|
|
9 -0.57248554 0.76970418 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.26295258 0.34039568 0.48481567
|
|
11 0.35721714 0.26568863 0.00000000 0.00000000 0.00000000
|
|
12 0.26568863 -0.35721714 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.48623604 -1.07199416 -1.16327527
|
|
14 0.00000000 0.00000000 0.04799148 0.05533093 -0.09833628
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.08617279 -0.06409303 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.04799148 0.05533093 -0.09833628
|
|
18 -0.06409303 0.08617279 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.03966597 0.17524875 0.05472516
|
|
20 0.00000000 0.00000000 0.57434282 2.05184088 -0.18247671
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.73000692 0.54295977 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.57434282 2.05184088 -0.18247671
|
|
24 0.54295977 -0.73000692 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.77544722 0.87282976 -1.71124196
|
|
26 0.31068809 0.23108156 0.00000000 0.00000000 0.00000000
|
|
27 0.10334281 -0.13894394 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.03673008 -0.05006837 -0.15600557
|
|
29 0.13894394 0.10334281 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.09968825 0.07414548 0.00000000 0.00000000 0.00000000
|
|
32 0.23108156 -0.31068809 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.03673008 -0.05006837 -0.15600557
|
|
34 0.07414548 -0.09968825 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.11945488 -0.07364039 -0.17657171
|
|
36 0.00000000 0.00000000 1.50109062 -0.37877526 0.49948661
|
|
37 0.00000000 0.00000000 0.09157401 -0.43213804 -0.54928336
|
|
38 0.00000000 0.00000000 -5.99333302 2.97181892 -0.62237195
|
|
39 0.00000000 0.00000000 0.45235680 -0.29468637 0.32836547
|
|
40 -0.19967656 -0.14851413 0.00000000 0.00000000 0.00000000
|
|
41 -0.14851413 0.19967656 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.02738500 -0.09490307 -0.20387999
|
|
43 0.74725519 0.55578858 0.00000000 0.00000000 0.00000000
|
|
44 0.55578858 -0.74725519 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -0.14237545 0.38850181 0.55150136
|
|
46 -0.35565066 -0.26452352 0.00000000 0.00000000 0.00000000
|
|
47 -0.26452352 0.35565066 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.46020196 -1.08045424 -1.16615842
|
|
49 0.00000000 0.00000000 0.08285212 0.00272667 0.09257069
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.08029281 -0.05971966 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.08285212 0.00272667 0.09257069
|
|
53 -0.05971966 0.08029281 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.15764377 -0.08214048 -0.05832440
|
|
55 0.00000000 0.00000000 1.97074175 -0.86730874 0.08921372
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.70215769 0.52224625 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 1.97074175 -0.86730874 0.08921372
|
|
59 0.52224625 -0.70215769 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 1.29994214 0.07988365 1.61274216
|
|
61 -0.30358791 -0.22580063 0.00000000 0.00000000 0.00000000
|
|
62 -0.10098111 0.13576864 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.01923382 -0.05699105 -0.17243046
|
|
64 -0.13576864 -0.10098111 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.09404880 -0.06995101 0.00000000 0.00000000 0.00000000
|
|
67 -0.22580063 0.30358791 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.01923382 -0.05699105 -0.17243046
|
|
69 -0.06995101 0.09404880 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00029002 -0.12740826 -0.20446348
|
|
31 32 33 34 35
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.16851731
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.03292119
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.34708158
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.03907285
|
|
5 -2.26126216 0.29458009 -3.41790996 -0.31890303 0.00000000
|
|
6 -0.29458009 -2.26126216 0.31890303 -3.41790996 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -2.41843229
|
|
8 6.99455743 -0.91119791 10.69671086 0.99804077 0.00000000
|
|
9 0.91119791 6.99455743 -0.99804077 10.69671086 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 7.49613322
|
|
11 -0.63309037 0.08247421 -1.18375651 -0.11044865 0.00000000
|
|
12 -0.08247421 -0.63309037 0.11044865 -1.18375651 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.77886293
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.01474143
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00854285 -0.00111290 -0.00804863 -0.00075097 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.01474143
|
|
18 0.00111290 0.00854285 0.00075097 -0.00804863 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.06152138
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.01490355
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.03351616 0.00436623 -0.00958543 -0.00089435 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 0.01490355
|
|
24 -0.00436623 -0.03351616 0.00089435 -0.00958543 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.24115903
|
|
26 -3.43185875 0.44707654 -5.09207488 -0.47510851 0.00000000
|
|
27 -0.19993871 -1.53477389 0.21247498 -2.27724511 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885
|
|
29 -1.53477389 0.19993871 -2.27724511 -0.21247498 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -1.45619044 0.18970145 -2.32379642 -0.21681838 0.00000000
|
|
32 -0.44707654 -3.43185875 0.47510851 -5.09207488 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -1.59331885
|
|
34 -0.18970145 -1.45619044 0.21681838 -2.32379642 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -3.68124415
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.19985289
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.01646888
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.35113415
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.06460419
|
|
40 -3.20445703 0.41745237 2.58413846 0.24110921 0.00000000
|
|
41 -0.41745237 -3.20445703 -0.24110921 2.58413846 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 3.40535638
|
|
43 9.94904555 -1.29608622 -8.10848517 -0.75655020 0.00000000
|
|
44 1.29608622 9.94904555 0.75655020 -8.10848517 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 -10.64907176
|
|
46 -0.97233856 0.12666890 0.94249564 0.08793816 0.00000000
|
|
47 -0.12666890 -0.97233856 -0.08793816 0.94249564 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 1.15560128
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00962485
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00580663 0.00075644 -0.01028559 -0.00095968 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00962485
|
|
53 -0.00075644 -0.00580663 0.00095968 -0.01028559 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.03848287
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.00297094
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.03357064 -0.00437333 0.00103502 0.00009657 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.00297094
|
|
59 0.00437333 0.03357064 -0.00009657 0.00103502 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.09855470
|
|
61 -4.82319778 0.62832964 3.81984361 0.35640485 0.00000000
|
|
62 -0.28099756 -2.15699962 -0.15938910 1.70828599 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435
|
|
64 -2.15699962 0.28099756 1.70828599 0.15938910 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -2.09451859 0.27285800 1.78152728 0.16622276 0.00000000
|
|
67 -0.62832964 -4.82319778 -0.35640485 3.81984361 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 2.22270435
|
|
69 -0.27285800 -2.09451859 -0.16622276 1.78152728 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 5.14992567
|
|
36 37 38 39 40
|
|
1 0.12440212 0.00000000 0.00000000 0.38777186 0.00000000
|
|
2 0.05063099 0.00000000 0.00000000 -0.05192343 0.00000000
|
|
3 -0.05253140 0.00000000 0.00000000 -0.76691632 0.00000000
|
|
4 0.38919572 0.00000000 0.00000000 -0.01023949 0.00000000
|
|
5 0.00000000 -0.31628801 0.28194843 0.00000000 0.00000000
|
|
6 0.00000000 0.28194843 0.31628801 0.00000000 0.00000000
|
|
7 4.05420466 0.00000000 0.00000000 -0.38281693 0.00000000
|
|
8 0.00000000 0.98816218 -0.88087682 0.00000000 0.00000000
|
|
9 0.00000000 -0.88087682 -0.98816218 0.00000000 0.00000000
|
|
10 -12.92079408 0.00000000 0.00000000 1.54541748 0.00000000
|
|
11 0.00000000 -0.10242272 0.09130262 0.00000000 0.00000000
|
|
12 0.00000000 0.09130262 0.10242272 0.00000000 0.00000000
|
|
13 1.52583053 0.00000000 0.00000000 -0.25057729 0.00000000
|
|
14 -0.01647935 0.00000000 0.00000000 0.06909952 0.01969859
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00006090
|
|
16 0.00000000 0.02033018 -0.01812292 0.00000000 0.00000000
|
|
17 -0.01647935 0.00000000 0.00000000 0.06909952 -0.01969859
|
|
18 0.00000000 -0.01812292 -0.02033018 0.00000000 0.00000000
|
|
19 0.08249701 0.00000000 0.00000000 -0.02189534 0.00000000
|
|
20 0.04213770 0.00000000 0.00000000 0.18805745 0.01454158
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00004496
|
|
22 0.00000000 0.04196061 -0.03740492 0.00000000 0.00000000
|
|
23 0.04213770 0.00000000 0.00000000 0.18805745 -0.01454158
|
|
24 0.00000000 -0.03740492 -0.04196061 0.00000000 0.00000000
|
|
25 -0.46620333 0.00000000 0.00000000 0.23391692 0.00000000
|
|
26 0.00000000 -0.14562608 0.12981536 0.00000000 0.00000000
|
|
27 0.00000000 0.05805520 0.06512596 0.00000000 0.00000000
|
|
28 2.61098912 0.00000000 0.00000000 0.15893819 -0.56969953
|
|
29 0.00000000 -0.06512596 0.05805520 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00176122
|
|
31 0.00000000 -0.75646500 0.67433514 0.00000000 0.00000000
|
|
32 0.00000000 0.12981536 0.14562608 0.00000000 0.00000000
|
|
33 2.61098912 0.00000000 0.00000000 0.15893819 0.56969953
|
|
34 0.00000000 0.67433514 0.75646500 0.00000000 0.00000000
|
|
35 6.09171373 0.00000000 0.00000000 -1.36368427 0.00000000
|
|
36 -0.07973457 0.00000000 0.00000000 0.39681557 0.00000000
|
|
37 -0.05437839 0.00000000 0.00000000 -0.05207627 0.00000000
|
|
38 -0.03567584 0.00000000 0.00000000 -0.76682035 0.00000000
|
|
39 -0.38518807 0.00000000 0.00000000 -0.00989912 0.00000000
|
|
40 0.00000000 -0.29728441 0.26500807 0.00000000 0.00000000
|
|
41 0.00000000 0.26500807 0.29728441 0.00000000 0.00000000
|
|
42 3.30042274 0.00000000 0.00000000 0.33321921 0.00000000
|
|
43 0.00000000 0.92878610 -0.82794724 0.00000000 0.00000000
|
|
44 0.00000000 -0.82794724 -0.92878610 0.00000000 0.00000000
|
|
45 -10.57017459 0.00000000 0.00000000 -1.38576692 0.00000000
|
|
46 0.00000000 -0.09846340 0.08777317 0.00000000 0.00000000
|
|
47 0.00000000 0.08777317 0.09846340 0.00000000 0.00000000
|
|
48 1.28018065 0.00000000 0.00000000 0.23812759 0.00000000
|
|
49 0.02023194 0.00000000 0.00000000 0.07034646 0.01787347
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00005526
|
|
51 0.00000000 -0.01922584 0.01713848 0.00000000 0.00000000
|
|
52 0.02023194 0.00000000 0.00000000 0.07034646 -0.01787347
|
|
53 0.00000000 0.01713848 0.01922584 0.00000000 0.00000000
|
|
54 -0.09598162 0.00000000 0.00000000 -0.02330793 0.00000000
|
|
55 -0.04471528 0.00000000 0.00000000 0.18731826 0.01184736
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00003663
|
|
57 0.00000000 -0.03730623 0.03325587 0.00000000 0.00000000
|
|
58 -0.04471528 0.00000000 0.00000000 0.18731826 -0.01184736
|
|
59 0.00000000 0.03325587 0.03730623 0.00000000 0.00000000
|
|
60 0.50911716 0.00000000 0.00000000 0.21491360 0.00000000
|
|
61 0.00000000 -0.10707295 0.09544798 0.00000000 0.00000000
|
|
62 0.00000000 0.04268563 0.04788448 0.00000000 0.00000000
|
|
63 2.10989071 0.00000000 0.00000000 -0.19660087 0.64360550
|
|
64 0.00000000 -0.04788448 0.04268563 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00198970
|
|
66 0.00000000 -0.76121066 0.67856556 0.00000000 0.00000000
|
|
67 0.00000000 0.09544798 0.10707295 0.00000000 0.00000000
|
|
68 2.10989071 0.00000000 0.00000000 -0.19660087 -0.64360550
|
|
69 0.00000000 0.67856556 0.76121066 0.00000000 0.00000000
|
|
70 4.94412793 0.00000000 0.00000000 1.30141176 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 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 0.00000000 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 0.00000000 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 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00005274 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 -0.02274598 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00005274 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00003893 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 -0.01679118 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00003893 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 -0.24382519 0.06417881 0.49336148 0.56393758
|
|
27 0.00000000 -0.08610491 -0.32712582 -0.75660166 0.66191388
|
|
28 -0.00152526 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 0.32712582 -0.08610491 -0.66191388 -0.75660166
|
|
30 0.65783235 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.06417881 0.24382519 0.56393758 -0.49336148
|
|
33 0.00152526 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 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 0.00000000 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 0.00000000 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 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00004785 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 -0.02063851 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00004785 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00003172 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 -0.01368015 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00003172 0.00000000 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 -0.72433153 0.19065601 -0.16656729 -0.19039499
|
|
62 0.00000000 -0.25579187 -0.97179272 0.25544168 -0.22347347
|
|
63 0.00172313 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.97179272 -0.25579187 0.22347347 0.25544168
|
|
65 -0.74317161 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.19065601 0.72433153 -0.19039499 0.16656729
|
|
68 -0.00172313 0.00000000 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 -1.96079497
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.57004011
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.99841380
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.39896370
|
|
5 0.00000000 0.00000000 -0.23745393 -0.19743449 0.00000000
|
|
6 0.00000000 0.00000000 0.19743449 -0.23745393 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -1.55946318
|
|
8 0.00000000 0.00000000 0.67985969 0.56527912 0.00000000
|
|
9 0.00000000 0.00000000 -0.56527912 0.67985969 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 4.97988897
|
|
11 0.00000000 0.00000000 -0.02816893 -0.02342146 0.00000000
|
|
12 0.00000000 0.00000000 0.02342146 -0.02816893 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.51900934
|
|
14 0.02117051 -0.00006081 0.00000000 0.00000000 -0.16142326
|
|
15 -0.00007022 -0.02444560 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.10231563 0.08507180 0.00000000
|
|
17 -0.02117051 0.00006081 0.00000000 0.00000000 -0.16142326
|
|
18 0.00000000 0.00000000 -0.08507180 0.10231563 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.34011210
|
|
20 0.01356591 -0.00003897 0.00000000 0.00000000 -0.02054215
|
|
21 -0.00004500 -0.01566456 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.05756203 0.04786078 0.00000000
|
|
23 -0.01356591 0.00003897 0.00000000 0.00000000 -0.02054215
|
|
24 0.00000000 0.00000000 -0.04786078 0.05756203 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.29104731
|
|
26 0.00000000 0.00000000 -0.65615991 -0.54557360 0.00000000
|
|
27 0.00000000 0.00000000 0.24398793 -0.29344363 0.00000000
|
|
28 0.65152528 -0.00187158 0.00000000 0.00000000 -1.43456216
|
|
29 0.00000000 0.00000000 -0.29344363 -0.24398793 0.00000000
|
|
30 -0.00216112 -0.75231660 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.47001193 0.39079818 0.00000000
|
|
32 0.00000000 0.00000000 0.54557360 -0.65615991 0.00000000
|
|
33 -0.65152528 0.00187158 0.00000000 0.00000000 -1.43456216
|
|
34 0.00000000 0.00000000 -0.39079818 0.47001193 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -1.52900888
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 1.99822186
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.57905017
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -1.02053552
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.40891326
|
|
40 0.00000000 0.00000000 0.24052048 0.19998422 0.00000000
|
|
41 0.00000000 0.00000000 -0.19998422 0.24052048 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -1.55743189
|
|
43 0.00000000 0.00000000 -0.68731720 -0.57147978 0.00000000
|
|
44 0.00000000 0.00000000 0.57147978 -0.68731720 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 4.98107574
|
|
46 0.00000000 0.00000000 0.02917828 0.02426070 0.00000000
|
|
47 0.00000000 0.00000000 -0.02426070 0.02917828 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.52211643
|
|
49 -0.02457446 0.00007059 0.00000000 0.00000000 0.16501690
|
|
50 0.00008151 0.02837614 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.10762725 0.08948822 0.00000000
|
|
52 0.02457446 -0.00007059 0.00000000 0.00000000 0.16501690
|
|
53 0.00000000 0.00000000 -0.08948822 0.10762725 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.35605034
|
|
55 -0.01435236 0.00004123 0.00000000 0.00000000 0.01824681
|
|
56 0.00004761 0.01657268 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.05604102 0.04659611 0.00000000
|
|
58 0.01435236 -0.00004123 0.00000000 0.00000000 0.01824681
|
|
59 0.00000000 0.00000000 -0.04659611 0.05604102 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.28164868
|
|
61 0.00000000 0.00000000 0.64896824 0.53959398 0.00000000
|
|
62 0.00000000 0.00000000 -0.24131376 0.29022742 0.00000000
|
|
63 0.57869553 -0.00166237 0.00000000 0.00000000 -1.42739029
|
|
64 0.00000000 0.00000000 0.29022742 0.24131376 0.00000000
|
|
65 -0.00191954 -0.66822005 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.45187363 -0.37571683 0.00000000
|
|
67 0.00000000 0.00000000 -0.53959398 0.64896824 0.00000000
|
|
68 -0.57869553 0.00166237 0.00000000 0.00000000 -1.42739029
|
|
69 0.00000000 0.00000000 0.37571683 -0.45187363 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -1.53617714
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00842173 -0.02524950 0.00000000
|
|
6 0.00000000 0.00000000 -0.02524950 -0.00842173 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.04103487 0.12302816 0.00000000
|
|
9 0.00000000 0.00000000 0.12302816 0.04103487 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 -0.00779535 0.02337151 0.00000000
|
|
12 0.00000000 0.00000000 0.02337151 0.00779535 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00189649 0.59996730 0.00000000 0.00000000 0.00216269
|
|
15 -0.69278256 0.00218988 0.00000000 0.00000000 1.00863089
|
|
16 0.00000000 0.00000000 -0.25753651 0.77212979 0.00000000
|
|
17 -0.00189649 -0.59996730 0.00000000 0.00000000 -0.00216269
|
|
18 0.00000000 0.00000000 0.77212979 0.25753651 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 -0.00086961 -0.27510684 0.00000000 0.00000000 -0.00108495
|
|
21 0.31766601 -0.00100414 0.00000000 0.00000000 -0.50599861
|
|
22 0.00000000 0.00000000 0.11006222 -0.32998164 0.00000000
|
|
23 0.00086961 0.27510684 0.00000000 0.00000000 0.00108495
|
|
24 0.00000000 0.00000000 -0.32998164 -0.11006222 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.03446324 -0.10332553 0.00000000
|
|
27 0.00000000 0.00000000 -0.04620858 -0.01541243 0.00000000
|
|
28 0.00009709 0.03071488 0.00000000 0.00000000 -0.00006248
|
|
29 0.00000000 0.00000000 0.01541243 -0.04620858 0.00000000
|
|
30 -0.03546649 0.00011211 0.00000000 0.00000000 -0.02914145
|
|
31 0.00000000 0.00000000 -0.01215372 0.03643852 0.00000000
|
|
32 0.00000000 0.00000000 -0.10332553 -0.03446324 0.00000000
|
|
33 -0.00009709 -0.03071488 0.00000000 0.00000000 0.00006248
|
|
34 0.00000000 0.00000000 0.03643852 0.01215372 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00903611 -0.02709149 0.00000000
|
|
41 0.00000000 0.00000000 -0.02709149 -0.00903611 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.04514582 0.13535336 0.00000000
|
|
44 0.00000000 0.00000000 0.13535336 0.04514582 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 -0.00257007 0.00770542 0.00000000
|
|
47 0.00000000 0.00000000 0.00770542 0.00257007 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00273603 0.86555974 0.00000000 0.00000000 -0.00151483
|
|
50 -0.99946230 0.00315929 0.00000000 0.00000000 -0.70648602
|
|
51 0.00000000 0.00000000 0.28212723 -0.84585615 0.00000000
|
|
52 -0.00273603 -0.86555974 0.00000000 0.00000000 0.00151483
|
|
53 0.00000000 0.00000000 -0.84585615 -0.28212723 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.00130181 -0.41183562 0.00000000 0.00000000 0.00078476
|
|
56 0.47554681 -0.00150320 0.00000000 0.00000000 0.36599470
|
|
57 0.00000000 0.00000000 -0.12769434 0.38284516 0.00000000
|
|
58 0.00130181 0.41183562 0.00000000 0.00000000 -0.00078476
|
|
59 0.00000000 0.00000000 0.38284516 0.12769434 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.03154604 -0.09457936 0.00000000
|
|
62 0.00000000 0.00000000 -0.04229718 -0.01410782 0.00000000
|
|
63 -0.00006105 -0.01931333 0.00000000 0.00000000 -0.00008295
|
|
64 0.00000000 0.00000000 0.01410782 -0.04229718 0.00000000
|
|
65 0.02230111 -0.00007049 0.00000000 0.00000000 -0.03868549
|
|
66 0.00000000 0.00000000 -0.00438228 0.01313867 0.00000000
|
|
67 0.00000000 0.00000000 -0.09457936 -0.03154604 0.00000000
|
|
68 0.00006105 0.01931333 0.00000000 0.00000000 0.00008295
|
|
69 0.00000000 0.00000000 0.01313867 0.00438228 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 0.00000000 0.74796995 4.54402856
|
|
2 0.00000000 0.00000000 0.00000000 -0.23130099 -0.65812651
|
|
3 0.00000000 0.00000000 0.00000000 -0.56334493 -4.23821712
|
|
4 0.00000000 0.00000000 0.00000000 -0.22254769 -1.11090822
|
|
5 0.00000000 0.02429146 0.00498495 0.00000000 0.00000000
|
|
6 0.00000000 0.00498495 -0.02429146 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 -0.31181355 0.80873440
|
|
8 0.00000000 -0.11935250 -0.02449281 0.00000000 0.00000000
|
|
9 0.00000000 -0.02449281 0.11935250 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 1.69838774 -2.73792963
|
|
11 0.00000000 0.16735185 0.03434295 0.00000000 0.00000000
|
|
12 0.00000000 0.03434295 -0.16735185 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 -0.20687207 -0.71858602
|
|
14 -0.87349998 0.00000000 0.00000000 -0.40401618 -0.57772504
|
|
15 0.00249726 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.91402602 -0.18757098 0.00000000 0.00000000
|
|
17 0.87349998 0.00000000 0.00000000 -0.40401618 -0.57772504
|
|
18 0.00000000 -0.18757098 0.91402602 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.88239316 0.72114313
|
|
20 0.43820765 0.00000000 0.00000000 0.33762239 0.83469346
|
|
21 -0.00125280 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.60314233 0.12377328 0.00000000 0.00000000
|
|
23 -0.43820765 0.00000000 0.00000000 0.33762239 0.83469346
|
|
24 0.00000000 0.12377328 -0.60314233 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 -0.31569729 -0.80974172
|
|
26 0.00000000 -0.08382509 -0.01720209 0.00000000 0.00000000
|
|
27 0.00000000 -0.00769301 0.03748772 0.00000000 0.00000000
|
|
28 0.02523724 0.00000000 0.00000000 -0.34857901 0.84088307
|
|
29 0.00000000 -0.03748772 -0.00769301 0.00000000 0.00000000
|
|
30 -0.00007215 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.20682641 0.04244369 0.00000000 0.00000000
|
|
32 0.00000000 -0.01720209 0.08382509 0.00000000 0.00000000
|
|
33 -0.02523724 0.00000000 0.00000000 -0.34857901 0.84088307
|
|
34 0.00000000 0.04244369 -0.20682641 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 -0.84818922 0.91695333
|
|
36 0.00000000 0.00000000 0.00000000 0.91430397 -5.16686471
|
|
37 0.00000000 0.00000000 0.00000000 -0.25313062 0.79283999
|
|
38 0.00000000 0.00000000 0.00000000 -0.72868055 4.65413435
|
|
39 0.00000000 0.00000000 0.00000000 -0.26354298 1.27547876
|
|
40 0.00000000 -0.02109481 -0.00432895 0.00000000 0.00000000
|
|
41 0.00000000 -0.00432895 0.02109481 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.26592124 0.84377668
|
|
43 0.00000000 0.10443256 0.02143103 0.00000000 0.00000000
|
|
44 0.00000000 0.02143103 -0.10443256 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 -1.57047096 -2.95249185
|
|
46 0.00000000 -0.16832506 -0.03454267 0.00000000 0.00000000
|
|
47 0.00000000 -0.03454267 0.16832506 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.24210436 -0.69800131
|
|
49 0.61183484 0.00000000 0.00000000 -0.42414886 0.59000807
|
|
50 -0.00174918 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.84106078 -0.17259749 0.00000000 0.00000000
|
|
52 -0.61183484 0.00000000 0.00000000 -0.42414886 0.59000807
|
|
53 0.00000000 -0.17259749 0.84106078 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.91092855 -0.66124119
|
|
55 -0.31696071 0.00000000 0.00000000 0.37269984 -0.86884002
|
|
56 0.00090616 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.57232275 0.11744867 0.00000000 0.00000000
|
|
58 0.31696071 0.00000000 0.00000000 0.37269984 -0.86884002
|
|
59 0.00000000 0.11744867 -0.57232275 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 -0.36292731 0.75375936
|
|
61 0.00000000 0.09331476 0.01914950 0.00000000 0.00000000
|
|
62 0.00000000 0.00856392 -0.04173163 0.00000000 0.00000000
|
|
63 0.03350262 0.00000000 0.00000000 0.30586469 0.89312084
|
|
64 0.00000000 0.04173163 0.00856392 0.00000000 0.00000000
|
|
65 -0.00009578 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 -0.20650264 -0.04237724 0.00000000 0.00000000
|
|
67 0.00000000 0.01914950 -0.09331476 0.00000000 0.00000000
|
|
68 -0.03350262 0.00000000 0.00000000 0.30586469 0.89312084
|
|
69 0.00000000 -0.04237724 0.20650264 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.82087307 1.03206679
|
|
61 62 63 64 65
|
|
1 -9.05327853 0.00000000 0.00000000 0.00000000 0.00000000
|
|
2 1.95709005 0.00000000 0.00000000 0.00000000 0.00000000
|
|
3 6.07150089 0.00000000 0.00000000 0.00000000 0.00000000
|
|
4 2.42527606 0.00000000 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 -0.30724529 -0.01474209 -1.34666393 0.30547049
|
|
6 0.00000000 0.01474209 -0.30724529 -0.30547049 -1.34666393
|
|
7 -0.45728792 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 2.32462697 0.11153908 8.69891923 -1.97321920
|
|
9 0.00000000 -0.11153908 2.32462697 1.97321920 8.69891923
|
|
10 2.72647419 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 -0.12423297 -0.00596088 -0.67666068 0.15349031
|
|
12 0.00000000 0.00596088 -0.12423297 -0.15349031 -0.67666068
|
|
13 -0.15098303 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.43063928 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.01030455 -0.00049443 -0.00110916 0.00025160
|
|
17 0.43063928 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00049443 -0.01030455 -0.00025160 -0.00110916
|
|
19 0.26233687 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 -0.65343597 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 -0.00679187 -0.00032588 0.00535754 -0.00121528
|
|
23 -0.65343597 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00032588 -0.00679187 0.00121528 0.00535754
|
|
25 -0.47733131 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 -1.31554876 -0.06312200 -4.86204748 1.10288246
|
|
27 0.00000000 0.02822901 -0.58833129 -0.49322403 -2.17437373
|
|
28 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 -0.58833129 -0.02822901 -2.17437373 0.49322403
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 -0.64518142 -0.03095677 -2.14476418 0.48650755
|
|
32 0.00000000 0.06312200 -1.31554876 -1.10288246 -4.86204748
|
|
33 -0.72979151 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 0.03095677 -0.64518142 -0.48650755 -2.14476418
|
|
35 -1.43928750 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -9.61323450 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 2.11637812 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 6.33178262 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 2.55871399 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 -1.33328237 -0.06397288 0.50337863 -0.11418388
|
|
41 0.00000000 0.06397288 -1.33328237 0.11418388 0.50337863
|
|
42 0.39851315 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 8.74563331 0.41962856 -2.96258576 0.67201809
|
|
44 0.00000000 -0.41962856 8.74563331 -0.67201809 -2.96258576
|
|
45 -2.74100965 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 -0.64968873 -0.03117304 0.27621977 -0.06265631
|
|
47 0.00000000 0.03117304 -0.64968873 0.06265631 0.27621977
|
|
48 0.27038239 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.41081196 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00667752 0.00032040 0.00715305 -0.00162256
|
|
52 0.41081196 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 -0.00032040 0.00667752 0.00162256 0.00715305
|
|
54 0.39449245 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.63408690 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.00083007 -0.00003983 0.00868254 -0.00196950
|
|
58 -0.63408690 0.00000000 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 0.00003983 -0.00083007 0.00196950 0.00868254
|
|
60 -0.67296231 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 -4.89452194 -0.23484648 1.64183067 -0.37242463
|
|
62 0.00000000 0.10502654 -2.18889675 0.16655336 0.73424900
|
|
63 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 -2.18889675 -0.10502654 0.73424900 -0.16655336
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 -2.19492767 -0.10531591 0.67251184 -0.15254921
|
|
67 0.00000000 0.23484648 -4.89452194 0.37242463 1.64183067
|
|
68 0.70912012 0.00000000 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 0.10531591 -2.19492767 0.15254921 0.67251184
|
|
70 1.54471690 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 67 68 69 70
|
|
1 0.84730055 -2.42396366 -9.50679960 54.37181301 -56.20032323
|
|
2 -0.29470678 0.45177522 2.09403727 -26.32286898 27.09549766
|
|
3 -0.45219843 1.52111899 5.91871942 -31.88334392 33.54941646
|
|
4 -0.02308724 0.71040331 2.48431798 -15.39355291 15.60019198
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 1.40660152 1.03818286 1.12256768 -0.09416366 0.51568163
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 -7.56741977 -6.69347846 -4.05574794 0.40139966 -1.77474638
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.75426621 0.58931606 -0.12013751 0.00677022 0.20775649
|
|
14 0.05441214 0.08778268 0.28201243 3.52144073 -3.61015494
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.05441214 0.08778268 0.28201243 3.52144073 -3.61015494
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.04572149 0.23109273 0.92868464 3.47102514 -3.56313405
|
|
20 0.04208245 -0.13847152 -0.36687690 3.28111023 -3.42225621
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.04208245 -0.13847152 -0.36687690 3.28111023 -3.42225621
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.11297404 -0.03880766 -1.47002968 3.21153583 -3.74991817
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 1.84331057 1.65738462 1.10492329 -0.09033808 0.42135603
|
|
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 1.84331057 1.65738462 1.10492329 -0.09033808 0.42135603
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 3.89390443 3.81542237 1.55707541 -0.25556829 0.66041110
|
|
36 0.67374192 -5.06903094 7.36843430 55.34597237 55.23778928
|
|
37 -0.02292351 1.07008739 -1.64954003 -26.79314638 -26.63014412
|
|
38 -0.51849138 3.13943261 -4.55872622 -32.46562080 -32.98547951
|
|
39 -0.39018848 1.34903984 -1.90251491 -15.66379903 -15.32763484
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 1.63582044 -1.00446882 0.84765046 0.10325321 0.51407416
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -8.92292662 5.78739223 -2.38641600 -0.43268520 -1.76791714
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.85456055 -0.33907846 -0.24270413 -0.00306501 0.20789548
|
|
49 -0.10693879 0.14166100 -0.20387877 3.58419758 3.54802899
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.10693879 0.14166100 -0.20387877 3.58419758 3.54802899
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 -0.07179921 0.49871520 -0.77244414 3.53302687 3.50189595
|
|
55 0.04284688 -0.23211919 0.24882262 3.34076377 3.36447014
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.04284688 -0.23211919 0.24882262 3.34076377 3.36447014
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.21282646 -0.45144690 1.33564550 3.27686291 3.69327782
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 2.18062618 -1.47190353 0.68829943 0.09774661 0.41979710
|
|
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 2.18062618 -1.47190353 0.68829943 0.09774661 0.41979710
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 4.65160127 -3.15406536 0.62186670 0.26725816 0.65608638
|
|
|
|
---------------------------------------
|
|
UHF spin-up orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49595083
|
|
2 0.06488865
|
|
3 0.24447137
|
|
4 0.34865606
|
|
5 0.43366778
|
|
6 0.43366778
|
|
7 0.56918231
|
|
8 0.63683422
|
|
9 0.63683422
|
|
10 0.91406421
|
|
11 1.15674679
|
|
12 1.24213640
|
|
13 1.64256660
|
|
14 1.78118789
|
|
15 1.78118789
|
|
16 1.91073255
|
|
17 1.91073255
|
|
18 1.94290182
|
|
19 1.94290182
|
|
20 2.00176238
|
|
21 2.00176238
|
|
22 2.18261643
|
|
23 2.18261643
|
|
24 2.20308645
|
|
25 2.41054771
|
|
26 2.59416663
|
|
27 2.59416663
|
|
28 3.04494584
|
|
29 3.11776495
|
|
30 3.45385235
|
|
31 4.39847858
|
|
32 4.39847858
|
|
33 4.53486663
|
|
34 4.53486663
|
|
35 4.64078982
|
|
36 4.77631037
|
|
37 5.79518657
|
|
38 5.79518657
|
|
39 5.86443145
|
|
40 5.95971571
|
|
41 5.95971571
|
|
42 6.05108279
|
|
43 6.05108279
|
|
44 6.08606419
|
|
45 6.08606419
|
|
46 6.18553010
|
|
47 6.18553010
|
|
48 6.58901404
|
|
49 6.58901404
|
|
50 7.41603514
|
|
51 8.09036043
|
|
52 8.09036043
|
|
53 8.11274633
|
|
54 8.11274633
|
|
55 8.20232172
|
|
56 8.20232172
|
|
57 8.52844497
|
|
58 8.52844497
|
|
59 8.54380839
|
|
60 9.23575473
|
|
61 9.62762185
|
|
62 9.71142514
|
|
63 9.71142514
|
|
64 9.75677787
|
|
65 9.75677787
|
|
66 9.83779518
|
|
67 9.97200691
|
|
68 10.03547377
|
|
69 22.70965415
|
|
70 23.30142718
|
|
|
|
---------------------------------------
|
|
UHF spin-down orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49595083
|
|
2 0.06488865
|
|
3 0.24447137
|
|
4 0.34865606
|
|
5 0.43366778
|
|
6 0.43366778
|
|
7 0.56918231
|
|
8 0.63683422
|
|
9 0.63683422
|
|
10 0.91406421
|
|
11 1.15674679
|
|
12 1.24213640
|
|
13 1.64256660
|
|
14 1.78118789
|
|
15 1.78118789
|
|
16 1.91073255
|
|
17 1.91073255
|
|
18 1.94290182
|
|
19 1.94290182
|
|
20 2.00176238
|
|
21 2.00176238
|
|
22 2.18261643
|
|
23 2.18261643
|
|
24 2.20308645
|
|
25 2.41054771
|
|
26 2.59416663
|
|
27 2.59416663
|
|
28 3.04494584
|
|
29 3.11776495
|
|
30 3.45385235
|
|
31 4.39847858
|
|
32 4.39847858
|
|
33 4.53486663
|
|
34 4.53486663
|
|
35 4.64078982
|
|
36 4.77631037
|
|
37 5.79518657
|
|
38 5.79518657
|
|
39 5.86443145
|
|
40 5.95971571
|
|
41 5.95971571
|
|
42 6.05108279
|
|
43 6.05108279
|
|
44 6.08606419
|
|
45 6.08606419
|
|
46 6.18553010
|
|
47 6.18553010
|
|
48 6.58901404
|
|
49 6.58901404
|
|
50 7.41603514
|
|
51 8.09036043
|
|
52 8.09036043
|
|
53 8.11274633
|
|
54 8.11274633
|
|
55 8.20232172
|
|
56 8.20232172
|
|
57 8.52844497
|
|
58 8.52844497
|
|
59 8.54380839
|
|
60 9.23575473
|
|
61 9.62762185
|
|
62 9.71142514
|
|
63 9.71142514
|
|
64 9.75677787
|
|
65 9.75677787
|
|
66 9.83779518
|
|
67 9.97200691
|
|
68 10.03547377
|
|
69 22.70965415
|
|
70 23.30142718
|
|
|
|
Total CPU time for UHF = 3.120 seconds
|
|
|
|
|
|
AO to MO transformation... Please be patient
|
|
|
|
Total CPU time for AO to MO transformation = 15.368 seconds
|
|
|
|
|
|
************************************************
|
|
| Configuration Interaction Singles |
|
|
************************************************
|
|
|
|
|
|
-------------------------------------------------------------
|
|
UCIS calculation: spin-conserved manifold
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.262373 | 7.139534 |
|
|
| 2 | 0.326775 | 8.892010 |
|
|
| 3 | 0.449086 | 12.220249 |
|
|
| 4 | 0.481540 | 13.103384 |
|
|
| 5 | 0.545343 | 14.839540 |
|
|
| 6 | 0.545343 | 14.839540 |
|
|
| 7 | 0.598143 | 16.276304 |
|
|
| 8 | 0.611834 | 16.648844 |
|
|
| 9 | 0.611834 | 16.648844 |
|
|
| 10 | 0.616457 | 16.774647 |
|
|
| 11 | 0.710775 | 19.341171 |
|
|
| 12 | 0.754495 | 20.530864 |
|
|
| 13 | 0.825036 | 22.450378 |
|
|
| 14 | 0.825036 | 22.450378 |
|
|
| 15 | 0.846954 | 23.046786 |
|
|
| 16 | 0.846954 | 23.046786 |
|
|
| 17 | 1.093782 | 29.763337 |
|
|
| 18 | 1.113643 | 30.303758 |
|
|
| 19 | 1.254173 | 34.127797 |
|
|
| 20 | 1.270879 | 34.582384 |
|
|
-------------------------------------------------------------
|
|
|
|
---------------------------------------------------------------
|
|
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 -1.432763 2.052808 0.447205
|
|
3 0.000000 -0.000000 0.251025 0.063014 0.018866
|
|
4 -0.000000 -0.000000 0.000000 0.000000 0.000000
|
|
5 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
6 0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
7 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
8 1.177785 -0.656001 0.000000 1.817515 0.741345
|
|
9 0.656001 1.177785 0.000000 1.817515 0.741345
|
|
10 0.000000 0.000000 -0.255918 0.065494 0.026916
|
|
11 0.000000 0.000000 0.571594 0.326719 0.154816
|
|
12 -0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
13 -0.124592 0.008342 -0.000000 0.015593 0.008576
|
|
14 -0.008342 -0.124592 0.000000 0.015593 0.008576
|
|
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 0.141336 0.019976 0.014831
|
|
19 0.000000 -0.000000 -0.069113 0.004777 0.003994
|
|
20 -0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
---------------------------------------------------------------
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 1: 7.139534 eV f = 0.0000 <S**2> = 0.5623
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.680816
|
|
1A -> 4A = 0.176354
|
|
1B -> 2B = 0.680816
|
|
1B -> 4B = 0.176354
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 2: 8.892010 eV f = 0.4472 <S**2> = 0.1158
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.683082
|
|
1A -> 3A = -0.135936
|
|
1B -> 2B = 0.683082
|
|
1B -> 3B = 0.135936
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 3: 12.220249 eV f = 0.0189 <S**2> = 1.3436
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.147521
|
|
1A -> 3A = 0.685876
|
|
1B -> 2B = 0.147521
|
|
1B -> 3B = -0.685876
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 4: 13.103384 eV f = 0.0000 <S**2> = 0.9212
|
|
-------------------------------------------------------------
|
|
1A -> 3A = -0.689699
|
|
1A -> 4A = 0.121552
|
|
1B -> 3B = -0.689699
|
|
1B -> 4B = 0.121552
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 5: 14.839540 eV f = 0.0000 <S**2> = 1.4276
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.649063
|
|
1A -> 6A = 0.252839
|
|
1B -> 5B = -0.612820
|
|
1B -> 6B = 0.331152
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 6: 14.839540 eV f = 0.0000 <S**2> = 1.4276
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.252839
|
|
1A -> 6A = 0.649063
|
|
1B -> 5B = -0.331152
|
|
1B -> 6B = -0.612820
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 7: 16.276304 eV f = 0.0000 <S**2> = 1.0573
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.169168
|
|
1A -> 3A = -0.139521
|
|
1A -> 4A = -0.669291
|
|
1B -> 2B = 0.169168
|
|
1B -> 3B = -0.139521
|
|
1B -> 4B = -0.669291
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 8: 16.648844 eV f = 0.7413 <S**2> = 0.6191
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.512964
|
|
1A -> 6A = 0.457470
|
|
1A -> 8A = 0.140749
|
|
1B -> 5B = 0.680730
|
|
1B -> 8B = 0.151644
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 9: 16.648844 eV f = 0.7413 <S**2> = 0.6191
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.457470
|
|
1A -> 6A = 0.512964
|
|
1A -> 9A = 0.140749
|
|
1B -> 6B = 0.680730
|
|
1B -> 9B = -0.151644
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 10: 16.774647 eV f = 0.0269 <S**2> = 0.6349
|
|
-------------------------------------------------------------
|
|
1A -> 4A = -0.688180
|
|
1A -> 7A = 0.111826
|
|
1B -> 4B = 0.688180
|
|
1B -> 7B = -0.111826
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 11: 19.341171 eV f = 0.1548 <S**2> = 1.3945
|
|
-------------------------------------------------------------
|
|
1A -> 4A = -0.122171
|
|
1A -> 7A = -0.681583
|
|
1A -> 10A = -0.102178
|
|
1B -> 4B = 0.122171
|
|
1B -> 7B = 0.681583
|
|
1B -> 10B = -0.102178
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 12: 20.530864 eV f = 0.0000 <S**2> = 0.5267
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.694365
|
|
1A -> 10A = -0.114795
|
|
1B -> 7B = -0.694365
|
|
1B -> 10B = 0.114795
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 13: 22.450378 eV f = 0.0086 <S**2> = 1.3786
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.151834
|
|
1A -> 8A = -0.683011
|
|
1B -> 5B = 0.157431
|
|
1B -> 8B = -0.685638
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 14: 22.450378 eV f = 0.0086 <S**2> = 1.3786
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.151834
|
|
1A -> 9A = -0.683011
|
|
1B -> 6B = 0.157431
|
|
1B -> 9B = 0.685638
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 15: 23.046786 eV f = 0.0000 <S**2> = 0.5739
|
|
-------------------------------------------------------------
|
|
1A -> 6A = -0.113047
|
|
1A -> 8A = 0.691171
|
|
1B -> 8B = -0.670511
|
|
1B -> 9B = 0.190166
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 16: 23.046786 eV f = 0.0000 <S**2> = 0.5739
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.113047
|
|
1A -> 9A = 0.691171
|
|
1B -> 8B = 0.190166
|
|
1B -> 9B = 0.670511
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 17: 29.763337 eV f = 0.0000 <S**2> = 1.4494
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.108898
|
|
1A -> 10A = 0.688765
|
|
1B -> 7B = -0.108898
|
|
1B -> 10B = -0.688765
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 18: 30.303758 eV f = 0.0148 <S**2> = 0.5591
|
|
-------------------------------------------------------------
|
|
1A -> 10A = -0.690802
|
|
1B -> 10B = -0.690802
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 19: 34.127797 eV f = 0.0040 <S**2> = 1.1733
|
|
-------------------------------------------------------------
|
|
1A -> 11A = 0.694258
|
|
1B -> 11B = 0.694258
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 20: 34.582384 eV f = 0.0000 <S**2> = 0.9976
|
|
-------------------------------------------------------------
|
|
1A -> 11A = 0.678875
|
|
1A -> 12A = -0.168350
|
|
1B -> 11B = -0.678875
|
|
1B -> 12B = 0.168350
|
|
|
|
Thomas-Reiche-Kuhn sum rule = 2.166469
|
|
|
|
Total CPU time for CIS = 0.008 seconds
|
|
|
|
Total CPU time for QuAcK = 19.696 seconds
|
|
|