2618 lines
186 KiB
Plaintext
2618 lines
186 KiB
Plaintext
210 significant shell pairs computed in 0.000093 seconds
|
|
0
|
|
Computed Electron repulsion integrals Integrals in parallel in 3.407098 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 3.4959933321
|
|
|
|
------------------
|
|
Nuclear repulsion energy = 0.2860417355
|
|
------------------
|
|
|
|
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 = 1.210 seconds
|
|
|
|
|
|
Lowdin orthogonalization
|
|
|
|
|
|
************************************************
|
|
* Unrestricted Hartree-Fock calculation *
|
|
************************************************
|
|
|
|
|
|
----------------------------------------------------------
|
|
| # | E(UHF) | Ex(UHF) | Conv |
|
|
----------------------------------------------------------
|
|
| 1 | -0.9215282147 | -0.4974340875 | 1.000000 |
|
|
| 2 | -0.9534157872 | -0.4587842586 | 0.029148 |
|
|
| 3 | -0.9621682453 | -0.4620669010 | 0.032557 |
|
|
| 4 | -0.9730732547 | -0.4819814783 | 0.037017 |
|
|
| 5 | -0.9855040511 | -0.5105699900 | 0.036128 |
|
|
| 6 | -0.9958637900 | -0.5402140585 | 0.029694 |
|
|
| 7 | -1.0021716322 | -0.5645440504 | 0.021069 |
|
|
| 8 | -1.0051611230 | -0.5815172058 | 0.013500 |
|
|
| 9 | -1.0063559006 | -0.5922491788 | 0.008132 |
|
|
| 10 | -1.0067858664 | -0.5986729724 | 0.004732 |
|
|
| 11 | -1.0069314143 | -0.6024046409 | 0.002702 |
|
|
| 12 | -1.0069789962 | -0.6045368706 | 0.001528 |
|
|
| 13 | -1.0069942487 | -0.6057439273 | 0.000859 |
|
|
| 14 | -1.0069990842 | -0.6064236335 | 0.000482 |
|
|
| 15 | -1.0070006078 | -0.6068052218 | 0.000270 |
|
|
| 16 | -1.0070010861 | -0.6070190719 | 0.000151 |
|
|
| 17 | -1.0070012360 | -0.6071387977 | 0.000084 |
|
|
| 18 | -1.0070012830 | -0.6072057885 | 0.000047 |
|
|
| 19 | -1.0070012976 | -0.6072432599 | 0.000026 |
|
|
| 20 | -1.0070013022 | -0.6072642156 | 0.000015 |
|
|
| 21 | -1.0070013037 | -0.6072759337 | 0.000008 |
|
|
| 22 | -1.0070013041 | -0.6072824859 | 0.000005 |
|
|
| 23 | -1.0070013043 | -0.6072861494 | 0.000003 |
|
|
| 24 | -1.0070013043 | -0.6072881978 | 0.000001 |
|
|
| 25 | -1.0070013043 | -0.6072893430 | 0.000001 |
|
|
| 26 | -1.0070013043 | -0.6072899834 | 0.000000 |
|
|
| 27 | -1.0070013043 | -0.6072903414 | 0.000000 |
|
|
| 28 | -1.0070013043 | -0.6072905416 | 0.000000 |
|
|
| 29 | -1.0070013043 | -0.6072906535 | 0.000000 |
|
|
----------------------------------------------------------
|
|
|
|
-------------------------------------------------
|
|
Summary
|
|
-------------------------------------------------
|
|
One-electron energy: -1.5903305805 au
|
|
One-electron a energy: -0.7951652902 au
|
|
One-electron b energy: -0.7951652902 au
|
|
Kinetic energy: 0.9627001948 au
|
|
Kinetic a energy: 0.4813500974 au
|
|
Kinetic b energy: 0.4813500974 au
|
|
Potential energy: -2.5530307752 au
|
|
Potential a energy: -1.2765153876 au
|
|
Potential b energy: -1.2765153876 au
|
|
-------------------------------------------------
|
|
Two-electron energy: 0.2972875407 au
|
|
Two-electron aa energy: 0.0000000000 au
|
|
Two-electron ab energy: 0.2972875407 au
|
|
Two-electron bb energy: 0.0000000000 au
|
|
Hartree energy: 0.9045781941 au
|
|
Hartree aa energy: 0.3036453267 au
|
|
Hartree ab energy: 0.2972875407 au
|
|
Hartree bb energy: 0.3036453267 au
|
|
Exchange energy: -0.6072906535 au
|
|
Exchange a energy: -0.3036453267 au
|
|
Exchange b energy: -0.3036453267 au
|
|
-------------------------------------------------
|
|
Electronic energy: -1.2930430398 au
|
|
Nuclear repulsion: 0.2860417355 au
|
|
UHF energy: -1.0070013043 au
|
|
-------------------------------------------------
|
|
UHF HOMO a energy: -13.547943 eV
|
|
UHF LUMO a energy: 1.653443 eV
|
|
UHF HOMOa-LUMOa gap: 15.201385 eV
|
|
-------------------------------------------------
|
|
UHF HOMO b energy: -13.547943 eV
|
|
UHF LUMO b energy: 1.653443 eV
|
|
UHF HOMOb-LUMOb gap : 15.201385 eV
|
|
-------------------------------------------------
|
|
S (exact) : 1.000000
|
|
S : 2.097120
|
|
<S**2> (exact) : 0.000000
|
|
<S**2> : 0.849478
|
|
-------------------------------------------------
|
|
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 -0.98925633 -0.23426122 -0.09914974 0.11730129 0.00000000
|
|
2 0.00723485 -0.01057461 -0.25189830 -0.06836699 0.00000000
|
|
3 0.00692227 0.03387384 2.58492779 0.58937693 0.00000000
|
|
4 0.00066055 -0.35937198 -2.16958702 -1.01787889 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.49581559
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.27576028
|
|
7 -0.00056183 -0.00933692 0.03880518 -0.15022838 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 -1.78613357
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 -0.99340299
|
|
10 0.00148475 0.04558860 -0.13198605 0.53904748 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 1.00169503
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.55711781
|
|
13 -0.00517096 0.01520790 0.07720318 -0.29313983 0.00000000
|
|
14 -0.00080131 -0.00007513 -0.02313940 -0.00287867 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00088272
|
|
17 -0.00080131 -0.00007513 -0.02313940 -0.00287867 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00049095
|
|
19 -0.00066035 -0.00090216 -0.02089294 -0.00666041 0.00000000
|
|
20 -0.00041295 -0.00702831 -0.26706790 -0.06099387 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00254363
|
|
23 -0.00041295 -0.00702831 -0.26706790 -0.06099387 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00141470
|
|
25 -0.00175047 0.00093717 -0.28532184 -0.03758661 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.72322327
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.17988664
|
|
28 -0.00023194 -0.00770105 0.02432660 -0.09939049 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.32343528
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.32078154
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.40223876
|
|
33 -0.00023194 -0.00770105 0.02432660 -0.09939049 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.17841070
|
|
35 -0.00078960 -0.01501062 0.05181350 -0.21393651 0.00000000
|
|
36 -0.12119799 0.74367335 -0.05104923 -0.05110164 0.00000000
|
|
37 0.01045061 0.02497792 -0.05265240 0.36289380 0.00000000
|
|
38 0.03106399 -0.77416069 0.55518752 -2.90614752 0.00000000
|
|
39 0.02004644 1.02112205 0.14161135 2.22213180 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.36066120
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.20059078
|
|
42 0.00090744 -0.01218323 -0.10732677 0.00829207 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 -1.30869876
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 -0.72786564
|
|
45 0.00168146 0.04741966 0.38996941 -0.02482328 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.67148308
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.37346216
|
|
48 0.00900234 -0.02161499 -0.18134085 0.00749660 0.00000000
|
|
49 -0.00047033 0.00852181 -0.00651716 0.02337416 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00060936
|
|
52 -0.00047033 0.00852181 -0.00651716 0.02337416 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00033891
|
|
54 -0.00047387 0.00821088 -0.00275242 0.02209540 0.00000000
|
|
55 -0.00046928 0.07733684 -0.05640025 0.30756982 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00115621
|
|
58 -0.00046928 0.07733684 -0.05640025 0.30756982 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00064305
|
|
60 -0.00257240 0.07921839 -0.08319953 0.32159284 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.52897230
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.13157078
|
|
63 -0.00002886 -0.00848945 -0.07162937 0.00388663 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.23656360
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.23295162
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 0.29420121
|
|
68 -0.00002886 -0.00848945 -0.07162937 0.00388663 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.12956189
|
|
70 0.00042832 -0.01875269 -0.15247497 0.00847840 0.00000000
|
|
6 7 8 9 10
|
|
1 0.00000000 0.04787356 0.00000000 0.00000000 0.47080160
|
|
2 0.00000000 0.05307611 0.00000000 0.00000000 0.06005132
|
|
3 0.00000000 -0.63123777 0.00000000 0.00000000 -0.57493677
|
|
4 0.00000000 0.28260890 0.00000000 0.00000000 0.93506415
|
|
5 -0.27576028 0.00000000 -0.44789368 -0.05569337 0.00000000
|
|
6 0.49581559 0.00000000 -0.05569337 0.44789368 0.00000000
|
|
7 0.00000000 0.47986333 0.00000000 0.00000000 0.67967452
|
|
8 0.99340299 0.00000000 1.62239579 0.20173692 0.00000000
|
|
9 -1.78613357 0.00000000 0.20173692 -1.62239579 0.00000000
|
|
10 0.00000000 -1.72187886 0.00000000 0.00000000 -2.50156651
|
|
11 -0.55711781 0.00000000 -0.99492814 -0.12371441 0.00000000
|
|
12 1.00169503 0.00000000 -0.12371441 0.99492814 0.00000000
|
|
13 0.00000000 1.01097588 0.00000000 0.00000000 1.85685008
|
|
14 0.00000000 0.00445620 0.00000000 0.00000000 0.00887941
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00049095 0.00000000 -0.00167905 -0.00020878 0.00000000
|
|
17 0.00000000 0.00445620 0.00000000 0.00000000 0.00887941
|
|
18 0.00088272 0.00000000 -0.00020878 0.00167905 0.00000000
|
|
19 0.00000000 0.00991179 0.00000000 0.00000000 0.00430153
|
|
20 0.00000000 0.07519038 0.00000000 0.00000000 0.07015772
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00141470 0.00000000 0.01281129 0.00159302 0.00000000
|
|
23 0.00000000 0.07519038 0.00000000 0.00000000 0.07015772
|
|
24 -0.00254363 0.00000000 0.00159302 -0.01281129 0.00000000
|
|
25 0.00000000 0.02124498 0.00000000 0.00000000 0.11295505
|
|
26 -0.40223876 0.00000000 -0.64672743 -0.08041737 0.00000000
|
|
27 0.32343528 0.00000000 -0.03596374 0.28922530 0.00000000
|
|
28 0.00000000 0.30910273 0.00000000 0.00000000 0.43259520
|
|
29 -0.17988664 0.00000000 -0.28922530 -0.03596374 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.17841070 0.00000000 -0.29341864 -0.03648516 0.00000000
|
|
32 0.72322327 0.00000000 -0.08041737 0.64672743 0.00000000
|
|
33 0.00000000 0.30910273 0.00000000 0.00000000 0.43259520
|
|
34 0.32078154 0.00000000 -0.03648516 0.29341864 0.00000000
|
|
35 0.00000000 0.68619947 0.00000000 0.00000000 0.99073565
|
|
36 0.00000000 -0.02660455 0.00000000 0.00000000 -0.30107809
|
|
37 0.00000000 0.11517644 0.00000000 0.00000000 0.02934529
|
|
38 0.00000000 -0.96815202 0.00000000 0.00000000 0.14807727
|
|
39 0.00000000 0.37792247 0.00000000 0.00000000 -0.88450386
|
|
40 -0.20059078 0.00000000 0.66452730 0.08263070 0.00000000
|
|
41 0.36066120 0.00000000 0.08263070 -0.66452730 0.00000000
|
|
42 0.00000000 -0.43401633 0.00000000 0.00000000 0.78765030
|
|
43 0.72786564 0.00000000 -2.42368114 -0.30137281 0.00000000
|
|
44 -1.30869876 0.00000000 -0.30137281 2.42368114 0.00000000
|
|
45 0.00000000 1.56856446 0.00000000 0.00000000 -2.90716932
|
|
46 -0.37346216 0.00000000 1.36245281 0.16941430 0.00000000
|
|
47 0.67148308 0.00000000 0.16941430 -1.36245281 0.00000000
|
|
48 0.00000000 -0.82294975 0.00000000 0.00000000 2.01279014
|
|
49 0.00000000 0.00609111 0.00000000 0.00000000 -0.00529189
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00033891 0.00000000 -0.00134910 -0.00016775 0.00000000
|
|
52 0.00000000 0.00609111 0.00000000 0.00000000 -0.00529189
|
|
53 -0.00060936 0.00000000 -0.00016775 0.00134910 0.00000000
|
|
54 0.00000000 0.01228084 0.00000000 0.00000000 -0.00202916
|
|
55 0.00000000 0.11216027 0.00000000 0.00000000 -0.01346257
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00064305 0.00000000 0.00874860 0.00108784 0.00000000
|
|
58 0.00000000 0.11216027 0.00000000 0.00000000 -0.01346257
|
|
59 0.00115621 0.00000000 0.00108784 -0.00874860 0.00000000
|
|
60 0.00000000 0.05407521 0.00000000 0.00000000 -0.04777947
|
|
61 -0.29420121 0.00000000 0.96516215 0.12001316 0.00000000
|
|
62 0.23656360 0.00000000 0.05367152 -0.43163363 0.00000000
|
|
63 0.00000000 -0.28115224 0.00000000 0.00000000 0.50363473
|
|
64 -0.13157078 0.00000000 0.43163363 0.05367152 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.12956189 0.00000000 0.43468019 0.05405034 0.00000000
|
|
67 0.52897230 0.00000000 0.12001316 -0.96516215 0.00000000
|
|
68 0.00000000 -0.28115224 0.00000000 0.00000000 0.50363473
|
|
69 0.23295162 0.00000000 0.05405034 -0.43468019 0.00000000
|
|
70 0.00000000 -0.62111848 0.00000000 0.00000000 1.14603024
|
|
11 12 13 14 15
|
|
1 2.77211916 -0.62611577 -0.03346764 0.00000000 0.00000000
|
|
2 1.36030087 -0.50469166 -0.05337153 0.00000000 0.00000000
|
|
3 -6.77022254 2.17714594 0.35247269 0.00000000 0.00000000
|
|
4 0.63154406 -0.37390016 -0.05148583 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 -1.79530978 -1.04661829
|
|
6 0.00000000 0.00000000 0.00000000 -1.04661829 1.79530978
|
|
7 -0.14636736 0.14599297 1.42934333 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 6.80773095 3.96872775
|
|
9 0.00000000 0.00000000 0.00000000 3.96872775 -6.80773095
|
|
10 0.54150925 -0.57750939 -5.38652407 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 -1.29294675 -0.75375388
|
|
12 0.00000000 0.00000000 0.00000000 -0.75375388 1.29294675
|
|
13 -0.34833477 0.58554755 1.09519430 0.00000000 0.00000000
|
|
14 0.05886046 -0.00913489 -0.02379999 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.02192582 -0.01278218
|
|
17 0.05886046 -0.00913489 -0.02379999 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 -0.01278218 0.02192582
|
|
19 0.05153281 -0.02187724 0.03887714 0.00000000 0.00000000
|
|
20 0.95129970 -0.31014926 0.06112793 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.14542839 0.08478092
|
|
23 0.95129970 -0.31014926 0.06112793 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.08478092 -0.14542839
|
|
25 1.01147205 -0.21964811 -0.50189989 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -2.65789129 -1.54948058
|
|
27 0.00000000 0.00000000 0.00000000 -0.69294878 1.18864512
|
|
28 -0.09270935 0.08349277 0.94160505 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 -1.18864512 -0.69294878
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 -1.17922376 -0.68745638
|
|
32 0.00000000 0.00000000 0.00000000 -1.54948058 2.65789129
|
|
33 -0.09270935 0.08349277 0.94160505 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -0.68745638 1.17922376
|
|
35 -0.20630118 0.22636826 2.06965125 0.00000000 0.00000000
|
|
36 0.81638675 2.84015232 -0.03876473 0.00000000 0.00000000
|
|
37 0.18832975 1.41988423 -0.04933289 0.00000000 0.00000000
|
|
38 -1.24722253 -6.95423894 0.36351926 0.00000000 0.00000000
|
|
39 -0.03776983 0.65659728 -0.12510438 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 -0.74410529 -0.43379377
|
|
41 0.00000000 0.00000000 0.00000000 -0.43379377 0.74410529
|
|
42 -0.11731930 0.18353681 -1.27678068 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 2.78969661 1.62631961
|
|
44 0.00000000 0.00000000 0.00000000 1.62631961 -2.78969661
|
|
45 0.46355479 -0.69771936 4.77902891 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 -0.43473355 -0.25343821
|
|
47 0.00000000 0.00000000 0.00000000 -0.25343821 0.43473355
|
|
48 -0.49828481 0.52090134 -0.89454038 0.00000000 0.00000000
|
|
49 0.02050024 0.05898921 -0.02414022 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.01611576 0.00939506
|
|
52 0.02050024 0.05898921 -0.02414022 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00939506 -0.01611576
|
|
54 0.00573777 0.05804097 0.03908926 0.00000000 0.00000000
|
|
55 0.18229703 1.01813800 0.05918589 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.10112157 -0.05895121
|
|
58 0.18229703 1.01813800 0.05918589 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 -0.05895121 0.10112157
|
|
60 0.29102318 1.03051308 -0.49768032 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 -1.11132697 -0.64787434
|
|
62 0.00000000 0.00000000 0.00000000 -0.28973821 0.49700053
|
|
63 -0.06701556 0.11232423 -0.84234775 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 -0.49700053 -0.28973821
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 -0.47963430 -0.27961416
|
|
67 0.00000000 0.00000000 0.00000000 -0.64787434 1.11132697
|
|
68 -0.06701556 0.11232423 -0.84234775 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -0.27961416 0.47963430
|
|
70 -0.18525680 0.26726919 -1.84258797 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 -0.21817484 -0.27372608 0.80525852 0.17709689 0.00000000
|
|
6 -0.27372608 0.21817484 -0.17709689 0.80525852 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.84716265 1.06286550 -3.08141549 -0.67768187 0.00000000
|
|
9 1.06286550 -0.84716265 0.67768187 -3.08141549 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 -0.13239601 -0.16610641 0.71661078 0.15760099 0.00000000
|
|
12 -0.16610641 0.13239601 -0.15760099 0.71661078 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.10699948
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00004852
|
|
16 0.06437376 0.08076447 0.01764173 0.00387987 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.10699948
|
|
18 0.08076447 -0.06437376 -0.00387987 0.01764173 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.77327429
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00035067
|
|
22 -0.45016797 -0.56478884 -0.13091744 -0.02879208 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 0.77327429
|
|
24 -0.56478884 0.45016797 0.02879208 -0.13091744 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 -0.31626235 -0.39678844 1.17640610 0.25872171 0.00000000
|
|
27 -0.17744918 0.14143682 -0.11570387 0.52610480 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 -0.00305556
|
|
29 -0.14143682 -0.17744918 0.52610480 0.11570387 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000139
|
|
31 -0.15357184 -0.19267399 0.54065800 0.11890449 0.00000000
|
|
32 -0.39678844 0.31626235 -0.25872171 1.17640610 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 0.00305556
|
|
34 -0.19267399 0.15357184 -0.11890449 0.54065800 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 0.13160780 0.16511751 -2.06432981 -0.45399878 0.00000000
|
|
41 0.16511751 -0.13160780 0.45399878 -2.06432981 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 -0.48431577 -0.60763128 7.81631703 1.71900750 0.00000000
|
|
44 -0.60763128 0.48431577 -1.71900750 7.81631703 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.15561371 0.19523576 -1.51022861 -0.33213780 0.00000000
|
|
47 0.19523576 -0.15561371 0.33213780 -1.51022861 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.07370374
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00003342
|
|
51 -0.06320057 -0.07929257 -0.00040680 -0.00008947 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.07370374
|
|
53 -0.07929257 0.06320057 0.00008947 -0.00040680 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.51220208
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00023227
|
|
57 0.42874211 0.53790757 0.00285429 0.00062773 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 0.51220208
|
|
59 0.53790757 -0.42874211 -0.00062773 0.00285429 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.19819063 0.24865352 -3.03991019 -0.66855379 0.00000000
|
|
62 0.11120124 -0.08863354 0.29898635 -1.35948917 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.00483742
|
|
64 0.08863354 0.11120124 -1.35948917 -0.29898635 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000219
|
|
66 0.07797511 0.09782897 -1.36725645 -0.30069457 0.00000000
|
|
67 0.24865352 -0.19819063 0.66855379 -3.03991019 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 -0.00483742
|
|
69 0.09782897 -0.07797511 0.30069457 -1.36725645 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 -0.19685442 0.00000000 0.00000000 -0.01020449
|
|
2 0.00000000 0.05183447 0.00000000 0.00000000 -0.02497489
|
|
3 0.00000000 0.27568129 0.00000000 0.00000000 -0.43190926
|
|
4 0.00000000 -0.62014260 0.00000000 0.00000000 0.09803851
|
|
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 -1.73197347 0.00000000 0.00000000 0.94372584
|
|
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 6.69540930 0.00000000 0.00000000 -3.59765923
|
|
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 -1.93664808 0.00000000 0.00000000 0.66149576
|
|
14 -0.00004202 -0.01689213 -0.06862583 0.00006832 0.04076632
|
|
15 0.12355235 0.00000000 0.00007889 0.07924228 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00004202 -0.01689213 0.06862583 -0.00006832 0.04076632
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00801950 0.00000000 0.00000000 -0.06306432
|
|
20 0.00030369 0.00394811 0.52423038 -0.00052191 -0.19769966
|
|
21 -0.89290024 0.00000000 -0.00060265 -0.60532911 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00030369 0.00394811 -0.52423038 0.00052191 -0.19769966
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 -0.27820550 0.00000000 0.00000000 0.66705253
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000120 -1.12199073 -0.00561104 0.00000559 0.62970784
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 -0.00352826 0.00000000 0.00000645 0.00647907 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 -0.00000120 -1.12199073 0.00561104 -0.00000559 0.62970784
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 -2.56199171 0.00000000 0.00000000 1.36808863
|
|
36 0.00000000 0.19586795 0.00000000 0.00000000 0.01969838
|
|
37 0.00000000 -0.04887614 0.00000000 0.00000000 -0.02331008
|
|
38 0.00000000 -0.14032556 0.00000000 0.00000000 -0.48543742
|
|
39 0.00000000 0.57850774 0.00000000 0.00000000 0.20107199
|
|
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 -1.66796185 0.00000000 0.00000000 -1.28937638
|
|
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 6.40629502 0.00000000 0.00000000 4.91481013
|
|
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 -1.84942021 0.00000000 0.00000000 -0.97828940
|
|
49 -0.00002895 0.00614203 0.10689909 -0.00010643 0.04148924
|
|
50 0.08510574 0.00000000 -0.00012289 -0.12343644 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00002895 0.00614203 -0.10689909 0.00010643 0.04148924
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00799502 0.00000000 0.00000000 -0.06261882
|
|
55 0.00020116 0.03661373 -0.78287573 0.00077941 -0.18597507
|
|
56 -0.59144002 0.00000000 0.00089999 0.90398703 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 -0.00020116 0.03661373 0.78287573 -0.00077941 -0.18597507
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.09144486 0.00000000 0.00000000 0.66807526
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 -0.00000190 -1.07822348 -0.00379240 0.00000378 -0.85203308
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00558577 0.00000000 0.00000436 0.00437908 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 0.00000190 -1.07822348 0.00379240 -0.00000378 -0.85203308
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 -2.46402864 0.00000000 0.00000000 -1.87995392
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 -1.60755834 0.13921264 0.58404833
|
|
2 0.00000000 0.00000000 -0.12161884 -0.55193015 -0.20222365
|
|
3 0.00000000 0.00000000 6.07115639 0.69109739 -2.31777427
|
|
4 0.00000000 0.00000000 -0.39408612 0.04653022 0.49410209
|
|
5 0.34725914 0.06501916 0.00000000 0.00000000 0.00000000
|
|
6 0.06501916 -0.34725914 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.31425338 0.37904820 0.39472076
|
|
8 -1.31384219 -0.24599761 0.00000000 0.00000000 0.00000000
|
|
9 -0.24599761 1.31384219 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -1.13027751 -1.40292455 -1.31857673
|
|
11 0.43388301 0.08123821 0.00000000 0.00000000 0.00000000
|
|
12 0.08123821 -0.43388301 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.67103493 1.19574122 0.51355834
|
|
14 0.00000000 0.00000000 -0.07991707 0.05681488 0.07464405
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.09072076 -0.01698613 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.07991707 0.05681488 0.07464405
|
|
18 -0.01698613 0.09072076 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.16032896 -0.05401233 0.01551162
|
|
20 0.00000000 0.00000000 -2.01748304 -0.29890987 0.61042455
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.78513060 0.14700415 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -2.01748304 -0.29890987 0.61042455
|
|
24 0.14700415 -0.78513060 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 -1.18276508 0.91528388 1.26403347
|
|
26 0.52092685 0.09753588 0.00000000 0.00000000 0.00000000
|
|
27 0.04361937 -0.23296557 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.22316930 0.25391226 0.29308885
|
|
29 0.23296557 0.04361937 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.19631676 0.03675742 0.00000000 0.00000000 0.00000000
|
|
32 0.09753588 -0.52092685 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.22316930 0.25391226 0.29308885
|
|
34 0.03675742 -0.19631676 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.40754673 0.51992762 0.51778673
|
|
36 0.00000000 0.00000000 -0.52930682 1.20518087 -1.10345471
|
|
37 0.00000000 0.00000000 0.38905427 0.36041580 0.31200960
|
|
38 0.00000000 0.00000000 0.87750588 -5.01538471 3.92684823
|
|
39 0.00000000 0.00000000 -0.01834338 0.20095951 -0.57845843
|
|
40 -0.36366074 -0.06809012 0.00000000 0.00000000 0.00000000
|
|
41 -0.06809012 0.36366074 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.09850631 0.51142165 0.32417350
|
|
43 1.37449118 0.25735324 0.00000000 0.00000000 0.00000000
|
|
44 0.25735324 -1.37449118 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -0.42310887 -1.84786551 -1.09766006
|
|
46 -0.43861085 -0.08212342 0.00000000 0.00000000 0.00000000
|
|
47 -0.08212342 0.43861085 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.63285286 1.22512271 0.50136964
|
|
49 0.00000000 0.00000000 -0.05453521 0.02371209 -0.10584959
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.10063371 -0.01884218 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.05453521 0.02371209 -0.10584959
|
|
53 -0.01884218 0.10063371 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 -0.00557807 0.16295463 -0.05055749
|
|
55 0.00000000 0.00000000 -0.28790277 1.75048546 -1.14582478
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.83555033 0.15644450 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.28790277 1.75048546 -1.14582478
|
|
59 0.15644450 -0.83555033 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.82124210 0.31423029 -1.74523682
|
|
61 -0.54348685 -0.10175991 0.00000000 0.00000000 0.00000000
|
|
62 -0.04550842 0.24305471 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.05164512 0.35906852 0.23827870
|
|
64 -0.24305471 -0.04550842 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.20923188 -0.03917559 0.00000000 0.00000000 0.00000000
|
|
67 -0.10175991 0.54348685 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.05164512 0.35906852 0.23827870
|
|
69 -0.03917559 0.20923188 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.15340421 0.67729936 0.43260354
|
|
31 32 33 34 35
|
|
1 0.00000000 0.00000000 0.21195326 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.05621203 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.50481087 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.05285062 0.00000000 0.00000000
|
|
5 -2.90793764 1.59224362 0.00000000 -2.50358164 -0.02311209
|
|
6 -1.59224362 -2.90793764 0.00000000 0.02311209 -2.50358164
|
|
7 0.00000000 0.00000000 2.98099123 0.00000000 0.00000000
|
|
8 9.04557085 -4.95290966 0.00000000 7.83778297 0.07235536
|
|
9 4.95290966 9.04557085 0.00000000 -0.07235536 7.83778297
|
|
10 0.00000000 0.00000000 -9.22013383 0.00000000 0.00000000
|
|
11 -0.89196001 0.48839343 0.00000000 -0.89577118 -0.00826941
|
|
12 -0.48839343 -0.89196001 0.00000000 0.00826941 -0.89577118
|
|
13 0.00000000 0.00000000 0.97892889 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.02429084 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00256566 0.00140483 0.00000000 -0.00004110 -0.00000038
|
|
17 0.00000000 0.00000000 0.02429084 0.00000000 0.00000000
|
|
18 -0.00140483 -0.00256566 0.00000000 0.00000038 -0.00004110
|
|
19 0.00000000 0.00000000 -0.00639753 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.05617420 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.01025256 0.00561380 0.00000000 -0.02640258 -0.00024374
|
|
23 0.00000000 0.00000000 0.05617420 0.00000000 0.00000000
|
|
24 -0.00561380 -0.01025256 0.00000000 0.00024374 -0.02640258
|
|
25 0.00000000 0.00000000 0.21802828 0.00000000 0.00000000
|
|
26 -4.37336858 2.39464151 0.00000000 -3.70779870 -0.03422896
|
|
27 -1.07091624 -1.95582989 0.00000000 0.01530765 -1.65817799
|
|
28 0.00000000 0.00000000 2.01977889 0.00000000 0.00000000
|
|
29 -1.95582989 1.07091624 0.00000000 -1.65817799 -0.01530765
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -1.91303243 1.04748246 0.00000000 -1.70868773 -0.01577394
|
|
32 -2.39464151 -4.37336858 0.00000000 0.03422896 -3.70779870
|
|
33 0.00000000 0.00000000 2.01977889 0.00000000 0.00000000
|
|
34 -1.04748246 -1.91303243 0.00000000 0.01577394 -1.70868773
|
|
35 0.00000000 0.00000000 4.32963955 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.22079470 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.07540460 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 -0.52644346 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.00591049 0.00000000 0.00000000
|
|
40 -2.00402289 1.09730436 0.00000000 3.44150134 0.03177060
|
|
41 -1.09730436 -2.00402289 0.00000000 -0.03177060 3.44150134
|
|
42 0.00000000 0.00000000 -2.45976217 0.00000000 0.00000000
|
|
43 6.21914991 -3.40530058 0.00000000 -10.75655909 -0.09930037
|
|
44 3.40530058 6.21914991 0.00000000 0.09930037 -10.75655909
|
|
45 0.00000000 0.00000000 7.56100418 0.00000000 0.00000000
|
|
46 -0.57272239 0.31359461 0.00000000 1.17156487 0.01081543
|
|
47 -0.31359461 -0.57272239 0.00000000 -0.01081543 1.17156487
|
|
48 0.00000000 0.00000000 -0.75565955 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.02791703 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00239917 -0.00131367 0.00000000 -0.00104293 -0.00000963
|
|
52 0.00000000 0.00000000 0.02791703 0.00000000 0.00000000
|
|
53 0.00131367 0.00239917 0.00000000 0.00000963 -0.00104293
|
|
54 0.00000000 0.00000000 -0.01017064 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.05955457 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00217018 -0.00118828 0.00000000 -0.02900807 -0.00026779
|
|
58 0.00000000 0.00000000 0.05955457 0.00000000 0.00000000
|
|
59 0.00118828 0.00217018 0.00000000 0.00026779 -0.02900807
|
|
60 0.00000000 0.00000000 0.25678951 0.00000000 0.00000000
|
|
61 -3.03755376 1.66321503 0.00000000 5.13581444 0.04741184
|
|
62 -0.74381237 -1.35843534 0.00000000 -0.02120322 2.29680604
|
|
63 0.00000000 0.00000000 -1.69008241 0.00000000 0.00000000
|
|
64 -1.35843534 0.74381237 0.00000000 2.29680604 0.02120322
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -1.30542115 0.71478441 0.00000000 2.32589052 0.02147172
|
|
67 -1.66321503 -3.03755376 0.00000000 -0.04741184 5.13581444
|
|
68 0.00000000 0.00000000 -1.69008241 0.00000000 0.00000000
|
|
69 -0.71478441 -1.30542115 0.00000000 -0.02147172 2.32589052
|
|
70 0.00000000 0.00000000 -3.54222552 0.00000000 0.00000000
|
|
36 37 38 39 40
|
|
1 -0.07066833 0.00000000 0.00000000 0.64494829 0.00000000
|
|
2 0.10430749 0.00000000 0.00000000 -0.31980246 0.00000000
|
|
3 0.12094250 0.00000000 0.00000000 -0.06371556 0.00000000
|
|
4 0.38583444 0.00000000 0.00000000 -0.23361299 0.00000000
|
|
5 0.00000000 -0.15153461 -0.11970075 0.00000000 0.00000000
|
|
6 0.00000000 0.11970075 -0.15153461 0.00000000 0.00000000
|
|
7 3.21115482 0.00000000 0.00000000 0.75928254 0.00000000
|
|
8 0.00000000 0.43555227 0.34405298 0.00000000 0.00000000
|
|
9 0.00000000 -0.34405298 0.43555227 0.00000000 0.00000000
|
|
10 -10.25137573 0.00000000 0.00000000 -2.41498437 0.00000000
|
|
11 0.00000000 -0.03598258 -0.02842348 0.00000000 0.00000000
|
|
12 0.00000000 0.02842348 -0.03598258 0.00000000 0.00000000
|
|
13 1.39065203 0.00000000 0.00000000 0.32695597 0.00000000
|
|
14 -0.02526495 0.00000000 0.00000000 0.00848224 -0.00823636
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000128
|
|
16 0.00000000 0.02819282 0.02227017 0.00000000 0.00000000
|
|
17 -0.02526495 0.00000000 0.00000000 0.00848224 0.00823636
|
|
18 0.00000000 -0.02227017 0.02819282 0.00000000 0.00000000
|
|
19 0.02444016 0.00000000 0.00000000 0.00536718 0.00000000
|
|
20 -0.01124677 0.00000000 0.00000000 -0.08359251 -0.00323082
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000050
|
|
22 0.00000000 0.01954673 0.01544042 0.00000000 0.00000000
|
|
23 -0.01124677 0.00000000 0.00000000 -0.08359251 0.00323082
|
|
24 0.00000000 -0.01544042 0.01954673 0.00000000 0.00000000
|
|
25 -0.17517948 0.00000000 0.00000000 -0.09023117 0.00000000
|
|
26 0.00000000 0.14915673 0.11782241 0.00000000 0.00000000
|
|
27 0.00000000 -0.05269178 0.06670492 0.00000000 0.00000000
|
|
28 2.03358580 0.00000000 0.00000000 0.00714098 0.72616797
|
|
29 0.00000000 0.06670492 0.05269178 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00011297
|
|
31 0.00000000 -0.71658222 -0.56604513 0.00000000 0.00000000
|
|
32 0.00000000 -0.11782241 0.14915673 0.00000000 0.00000000
|
|
33 2.03358580 0.00000000 0.00000000 0.00714098 -0.72616797
|
|
34 0.00000000 0.56604513 -0.71658222 0.00000000 0.00000000
|
|
35 4.96947251 0.00000000 0.00000000 1.77621097 0.00000000
|
|
36 0.05509412 0.00000000 0.00000000 0.67379397 0.00000000
|
|
37 -0.10162648 0.00000000 0.00000000 -0.32554681 0.00000000
|
|
38 -0.05928504 0.00000000 0.00000000 -0.08118033 0.00000000
|
|
39 -0.39269197 0.00000000 0.00000000 -0.23460848 0.00000000
|
|
40 0.00000000 -0.16457579 -0.13000229 0.00000000 0.00000000
|
|
41 0.00000000 0.13000229 -0.16457579 0.00000000 0.00000000
|
|
42 3.58829125 0.00000000 0.00000000 -0.83746557 0.00000000
|
|
43 0.00000000 0.47199466 0.37283967 0.00000000 0.00000000
|
|
44 0.00000000 -0.37283967 0.47199466 0.00000000 0.00000000
|
|
45 -11.41650517 0.00000000 0.00000000 2.66153147 0.00000000
|
|
46 0.00000000 -0.03539831 -0.02796196 0.00000000 0.00000000
|
|
47 0.00000000 0.02796196 -0.03539831 0.00000000 0.00000000
|
|
48 1.50545907 0.00000000 0.00000000 -0.35138268 0.00000000
|
|
49 0.02174415 0.00000000 0.00000000 0.01138698 -0.01211881
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000189
|
|
51 0.00000000 -0.03154992 -0.02492202 0.00000000 0.00000000
|
|
52 0.02174415 0.00000000 0.00000000 0.01138698 0.01211881
|
|
53 0.00000000 0.02492202 -0.03154992 0.00000000 0.00000000
|
|
54 -0.02355976 0.00000000 0.00000000 0.00265252 0.00000000
|
|
55 0.00414695 0.00000000 0.00000000 -0.08213009 -0.00604746
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000094
|
|
57 0.00000000 -0.02421093 -0.01912479 0.00000000 0.00000000
|
|
58 0.00414695 0.00000000 0.00000000 -0.08213009 0.00604746
|
|
59 0.00000000 0.01912479 -0.02421093 0.00000000 0.00000000
|
|
60 0.14415648 0.00000000 0.00000000 -0.10201308 0.00000000
|
|
61 0.00000000 0.10087119 0.07968053 0.00000000 0.00000000
|
|
62 0.00000000 -0.03563422 0.04511097 0.00000000 0.00000000
|
|
63 2.30170605 0.00000000 0.00000000 -0.07153571 -0.46931762
|
|
64 0.00000000 0.04511097 0.03563422 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00007301
|
|
66 0.00000000 -0.67160641 -0.53051768 0.00000000 0.00000000
|
|
67 0.00000000 -0.07968053 0.10087119 0.00000000 0.00000000
|
|
68 2.30170605 0.00000000 0.00000000 -0.07153571 0.46931762
|
|
69 0.00000000 0.53051768 -0.67160641 0.00000000 0.00000000
|
|
70 5.51636649 0.00000000 0.00000000 -1.87316610 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 -0.00000111 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.00951053 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000111 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 -0.00000044 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00373063 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000044 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 0.75858596 0.21393114 -0.04127650 0.04557506
|
|
27 0.00000000 0.28701875 -1.01774986 -0.06114535 -0.05537824
|
|
28 0.00009784 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 -1.01774986 -0.28701875 0.05537824 -0.06114535
|
|
30 -0.83850655 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 -0.21393114 0.75858596 0.04557506 0.04127650
|
|
33 -0.00009784 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 -0.00000163 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.01399360 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000163 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 -0.00000081 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00698300 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000081 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 0.05903144 0.01664764 0.52910037 -0.58420114
|
|
62 0.00000000 0.02233515 -0.07919899 0.78378808 0.70986263
|
|
63 -0.00006323 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 -0.07919899 -0.02233515 -0.70986263 0.78378808
|
|
65 0.54192131 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 -0.01664764 0.05903144 -0.58420114 -0.52910037
|
|
68 0.00006323 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 -1.56724664
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.47124435
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 1.04781461
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.30678341
|
|
5 0.00000000 0.00000000 -0.05977210 0.07025701 0.00000000
|
|
6 0.00000000 0.00000000 0.07025701 0.05977210 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -1.09698738
|
|
8 0.00000000 0.00000000 0.13190834 -0.15504701 0.00000000
|
|
9 0.00000000 0.00000000 -0.15504701 -0.13190834 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 3.23889480
|
|
11 0.00000000 0.00000000 0.02007887 -0.02360100 0.00000000
|
|
12 0.00000000 0.00000000 -0.02360100 -0.02007887 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.30883076
|
|
14 0.01268968 -0.00001673 0.00000000 0.00000000 -0.12884302
|
|
15 -0.00001932 -0.01465277 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.05002869 -0.05880446 0.00000000
|
|
17 -0.01268968 0.00001673 0.00000000 0.00000000 -0.12884302
|
|
18 0.00000000 0.00000000 -0.05880446 -0.05002869 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.17661952
|
|
20 0.00614229 -0.00000810 0.00000000 0.00000000 -0.09001257
|
|
21 -0.00000935 -0.00709250 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.02398036 -0.02818687 0.00000000
|
|
23 -0.00614229 0.00000810 0.00000000 0.00000000 -0.09001257
|
|
24 0.00000000 0.00000000 -0.02818687 -0.02398036 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.06594752
|
|
26 0.00000000 0.00000000 -0.33548153 0.39432997 0.00000000
|
|
27 0.00000000 0.00000000 0.17634972 0.15003190 0.00000000
|
|
28 0.47160691 -0.00062183 0.00000000 0.00000000 -1.09412415
|
|
29 0.00000000 0.00000000 -0.15003190 0.17634972 0.00000000
|
|
30 -0.00071802 -0.54456476 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.45126061 -0.53041841 0.00000000
|
|
32 0.00000000 0.00000000 0.39432997 0.33548153 0.00000000
|
|
33 -0.47160691 0.00062183 0.00000000 0.00000000 -1.09412415
|
|
34 0.00000000 0.00000000 -0.53041841 -0.45126061 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.80075830
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 1.51659688
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.45361506
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -1.02195069
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.29234645
|
|
40 0.00000000 0.00000000 0.05244689 -0.06164685 0.00000000
|
|
41 0.00000000 0.00000000 -0.06164685 -0.05244689 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -1.08961102
|
|
43 0.00000000 0.00000000 -0.11315894 0.13300869 0.00000000
|
|
44 0.00000000 0.00000000 0.13300869 0.11315894 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 3.22157654
|
|
46 0.00000000 0.00000000 -0.02137233 0.02512136 0.00000000
|
|
47 0.00000000 0.00000000 0.02512136 0.02137233 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.30325474
|
|
49 -0.00776120 0.00001023 0.00000000 0.00000000 0.12554010
|
|
50 0.00001182 0.00896186 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.04551960 -0.05350441 0.00000000
|
|
52 0.00776120 -0.00001023 0.00000000 0.00000000 0.12554010
|
|
53 0.00000000 0.00000000 -0.05350441 -0.04551960 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.16747776
|
|
55 -0.00456140 0.00000601 0.00000000 0.00000000 0.09127934
|
|
56 0.00000694 0.00526705 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.02391128 -0.02810567 0.00000000
|
|
58 0.00456140 -0.00000601 0.00000000 0.00000000 0.09127934
|
|
59 0.00000000 0.00000000 -0.02810567 -0.02391128 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.07086707
|
|
61 0.00000000 0.00000000 0.35152928 -0.41319272 0.00000000
|
|
62 0.00000000 0.00000000 -0.18478540 -0.15720867 0.00000000
|
|
63 0.72763763 -0.00095941 0.00000000 0.00000000 -1.10707780
|
|
64 0.00000000 0.00000000 0.15720867 -0.18478540 0.00000000
|
|
65 -0.00110783 -0.84020357 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.49808801 0.58546003 0.00000000
|
|
67 0.00000000 0.00000000 -0.41319272 -0.35152928 0.00000000
|
|
68 -0.72763763 0.00095941 0.00000000 0.00000000 -1.10707780
|
|
69 0.00000000 0.00000000 0.58546003 0.49808801 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -0.77668306
|
|
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 0.01257721 -0.00100753 0.00000000 0.00000000 0.00000000
|
|
6 -0.00100753 -0.01257721 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 -0.01454817 0.00116541 0.00000000 0.00000000 0.00000000
|
|
9 0.00116541 0.01454817 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 -0.02043299 0.00163683 0.00000000 0.00000000 0.00000000
|
|
12 0.00163683 0.02043299 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00059045 -0.92661444 -0.01698398
|
|
15 0.00000000 0.00000000 -1.06996219 -0.00068179 0.59376321
|
|
16 -0.89698601 0.07185505 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.00059045 0.92661444 0.01698398
|
|
18 0.07185505 0.89698601 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.00028464 0.44669977 0.00860296
|
|
21 0.00000000 0.00000000 0.51580447 0.00032868 -0.30076133
|
|
22 0.40740499 -0.03263608 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.00028464 -0.44669977 -0.00860296
|
|
24 -0.03263608 -0.40740499 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.03612291 -0.00289371 0.00000000 0.00000000 0.00000000
|
|
27 -0.00129410 -0.01615466 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.00000539 -0.00846553 0.00051649
|
|
29 0.01615466 -0.00129410 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 -0.00977515 -0.00000623 -0.01805643
|
|
31 -0.04694644 0.00376075 0.00000000 0.00000000 0.00000000
|
|
32 -0.00289371 -0.03612291 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -0.00000539 0.00846553 -0.00051649
|
|
34 0.00376075 0.04694644 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 0.00208242 -0.00016682 0.00000000 0.00000000 0.00000000
|
|
41 -0.00016682 -0.00208242 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.02502445 -0.00200464 0.00000000 0.00000000 0.00000000
|
|
44 -0.00200464 -0.02502445 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 -0.03718773 0.00297901 0.00000000 0.00000000 0.00000000
|
|
47 0.00297901 0.03718773 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00032336 -0.50745287 0.03070433
|
|
50 0.00000000 0.00000000 -0.58595610 -0.00037338 -1.07342964
|
|
51 0.79726281 -0.06386650 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.00032336 0.50745287 -0.03070433
|
|
53 -0.06386650 -0.79726281 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 -0.00015083 0.23670306 -0.01508950
|
|
56 0.00000000 0.00000000 0.27332115 0.00017416 0.52753200
|
|
57 -0.34637511 0.02774714 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.00015083 -0.23670306 0.01508950
|
|
59 0.02774714 0.34637511 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.02916911 -0.00233666 0.00000000 0.00000000 0.00000000
|
|
62 -0.00104498 -0.01304482 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 -0.00001022 0.01603186 0.00029414
|
|
64 0.01304482 -0.00104498 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.01851199 0.00001180 -0.01028326
|
|
66 -0.06831945 0.00547288 0.00000000 0.00000000 0.00000000
|
|
67 -0.00233666 -0.02916911 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.00001022 -0.01603186 -0.00029414
|
|
69 0.00547288 0.06831945 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 57 58 59 60
|
|
1 0.00000000 -0.11112852 0.00000000 0.00000000 2.54458336
|
|
2 0.00000000 -0.00230230 0.00000000 0.00000000 -0.29129127
|
|
3 0.00000000 0.00568536 0.00000000 0.00000000 -2.61297529
|
|
4 0.00000000 0.00630637 0.00000000 0.00000000 -0.66436884
|
|
5 0.00000000 0.00000000 0.09056837 -0.01200150 0.00000000
|
|
6 0.00000000 0.00000000 0.01200150 0.09056837 0.00000000
|
|
7 0.00000000 -0.31617368 0.00000000 0.00000000 0.00730844
|
|
8 0.00000000 0.00000000 -0.34242589 0.04537594 0.00000000
|
|
9 0.00000000 0.00000000 -0.04537594 -0.34242589 0.00000000
|
|
10 0.00000000 1.22145029 0.00000000 0.00000000 0.73007274
|
|
11 0.00000000 0.00000000 0.14006878 -0.01856096 0.00000000
|
|
12 0.00000000 0.00000000 0.01856096 0.14006878 0.00000000
|
|
13 0.00000000 -0.18400136 0.00000000 0.00000000 -0.73156783
|
|
14 0.51421402 -0.41591134 0.00000000 0.00000000 -0.51066565
|
|
15 0.01961141 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.83241864 0.11030642 0.00000000
|
|
17 -0.51421402 -0.41591134 0.00000000 0.00000000 -0.51066565
|
|
18 0.00000000 0.00000000 -0.11030642 -0.83241864 0.00000000
|
|
19 0.00000000 0.91516075 0.00000000 0.00000000 0.82583224
|
|
20 -0.26046695 0.26294777 0.00000000 0.00000000 0.67025528
|
|
21 -0.00993385 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.49320793 -0.06535654 0.00000000
|
|
23 0.26046695 0.26294777 0.00000000 0.00000000 0.67025528
|
|
24 0.00000000 0.00000000 0.06535654 0.49320793 0.00000000
|
|
25 0.00000000 -0.39057629 0.00000000 0.00000000 -0.55853351
|
|
26 0.00000000 0.00000000 0.07509459 -0.00995102 0.00000000
|
|
27 0.00000000 0.00000000 0.00445023 0.03358332 0.00000000
|
|
28 -0.01563732 -0.24891604 0.00000000 0.00000000 -0.01381617
|
|
29 0.00000000 0.00000000 0.03358332 -0.00445023 0.00000000
|
|
30 -0.00059639 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.16345844 -0.02166039 0.00000000
|
|
32 0.00000000 0.00000000 0.00995102 0.07509459 0.00000000
|
|
33 0.01563732 -0.24891604 0.00000000 0.00000000 -0.01381617
|
|
34 0.00000000 0.00000000 0.02166039 0.16345844 0.00000000
|
|
35 0.00000000 -0.53787516 0.00000000 0.00000000 -0.58707577
|
|
36 0.00000000 -0.18135752 0.00000000 0.00000000 -2.27929868
|
|
37 0.00000000 0.00028792 0.00000000 0.00000000 0.23272680
|
|
38 0.00000000 0.09860910 0.00000000 0.00000000 2.43814430
|
|
39 0.00000000 0.02377507 0.00000000 0.00000000 0.59451086
|
|
40 0.00000000 0.00000000 -0.09120481 0.01208584 0.00000000
|
|
41 0.00000000 0.00000000 -0.01208584 -0.09120481 0.00000000
|
|
42 0.00000000 0.32999435 0.00000000 0.00000000 0.00554639
|
|
43 0.00000000 0.00000000 0.33988964 -0.04503985 0.00000000
|
|
44 0.00000000 0.00000000 0.04503985 0.33988964 0.00000000
|
|
45 0.00000000 -1.23622316 0.00000000 0.00000000 0.71494671
|
|
46 0.00000000 0.00000000 -0.13685291 0.01813481 0.00000000
|
|
47 0.00000000 0.00000000 -0.01813481 -0.13685291 0.00000000
|
|
48 0.00000000 0.15107362 0.00000000 0.00000000 -0.73369191
|
|
49 -0.92961734 -0.39586694 0.00000000 0.00000000 0.51774017
|
|
50 -0.03545431 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.92723842 0.12287129 0.00000000
|
|
52 0.92961734 -0.39586694 0.00000000 0.00000000 0.51774017
|
|
53 0.00000000 0.00000000 -0.12287129 -0.92723842 0.00000000
|
|
54 0.00000000 0.87482463 0.00000000 0.00000000 -0.87467239
|
|
55 0.45685611 0.23290595 0.00000000 0.00000000 -0.66174434
|
|
56 0.01742386 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.53391564 -0.07075085 0.00000000
|
|
58 -0.45685611 0.23290595 0.00000000 0.00000000 -0.66174434
|
|
59 0.00000000 0.00000000 0.07075085 0.53391564 0.00000000
|
|
60 0.00000000 -0.35545726 0.00000000 0.00000000 0.59065989
|
|
61 0.00000000 0.00000000 -0.07662411 0.01015370 0.00000000
|
|
62 0.00000000 0.00000000 -0.00454087 -0.03426734 0.00000000
|
|
63 -0.00890556 0.26352836 0.00000000 0.00000000 -0.00864654
|
|
64 0.00000000 0.00000000 -0.03426734 0.00454087 0.00000000
|
|
65 -0.00033965 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.15810370 0.02095082 0.00000000
|
|
67 0.00000000 0.00000000 -0.01015370 -0.07662411 0.00000000
|
|
68 0.00890556 0.26352836 0.00000000 0.00000000 -0.00864654
|
|
69 0.00000000 0.00000000 -0.02095082 -0.15810370 0.00000000
|
|
70 0.00000000 0.52821889 0.00000000 0.00000000 -0.57218746
|
|
61 62 63 64 65
|
|
1 12.47488361 0.00000000 0.00000000 3.53031627 0.00000000
|
|
2 -2.77194364 0.00000000 0.00000000 -0.68211655 0.00000000
|
|
3 -8.25801765 0.00000000 0.00000000 -2.52814967 0.00000000
|
|
4 -3.28193810 0.00000000 0.00000000 -0.73732859 0.00000000
|
|
5 0.00000000 0.96464175 -0.76565932 0.00000000 0.68368723
|
|
6 0.00000000 0.76565932 0.96464175 0.00000000 -0.04986965
|
|
7 0.25171052 0.00000000 0.00000000 0.90098891 0.00000000
|
|
8 0.00000000 -6.39974257 5.07962937 0.00000000 -4.21008896
|
|
9 0.00000000 -5.07962937 -6.39974257 -0.00000000 0.30709315
|
|
10 -1.51450668 0.00000000 0.00000000 -5.34941524 0.00000000
|
|
11 0.00000000 0.46830570 -0.37170548 0.00000000 0.36168806
|
|
12 0.00000000 0.37170548 0.46830570 0.00000000 -0.02638232
|
|
13 0.15192625 0.00000000 0.00000000 0.45325900 0.00000000
|
|
14 -0.52052730 0.00000000 0.00000000 -0.16226824 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.00693823 0.00550704 0.00000000 0.00309869
|
|
17 -0.52052730 0.00000000 0.00000000 -0.16226824 0.00000000
|
|
18 0.00000000 -0.00550704 -0.00693823 0.00000000 -0.00022603
|
|
19 -0.48852900 0.00000000 0.00000000 -0.16440707 0.00000000
|
|
20 0.83355950 0.00000000 0.00000000 0.26724081 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00522745 -0.00414915 0.00000000 0.00289510
|
|
23 0.83355950 0.00000000 0.00000000 0.26724081 0.00000000
|
|
24 0.00000000 0.00414915 0.00522745 0.00000000 -0.00021117
|
|
25 0.80160633 0.00000000 0.00000000 0.21639000 0.00000000
|
|
26 0.00000000 3.58547184 -2.84587511 0.00000000 2.33679231
|
|
27 0.00000000 1.27271404 1.60347176 0.00000000 -0.07622790
|
|
28 0.39826058 0.00000000 0.00000000 1.31589650 0.00000000
|
|
29 0.00000000 1.60347176 -1.27271404 0.00000000 1.04504529
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 1.61572004 -1.28243579 0.00000000 1.01329033
|
|
32 0.00000000 2.84587511 3.58547184 0.00000000 -0.17045077
|
|
33 0.39826058 0.00000000 0.00000000 1.31589650 0.00000000
|
|
34 0.00000000 1.28243579 1.61572004 0.00000000 -0.07391163
|
|
35 0.80148383 0.00000000 0.00000000 2.89593053 0.00000000
|
|
36 7.45283634 0.00000000 0.00000000 -9.90027764 0.00000000
|
|
37 -1.71670132 0.00000000 0.00000000 2.09765338 0.00000000
|
|
38 -4.85177892 0.00000000 0.00000000 6.69945982 0.00000000
|
|
39 -2.06264939 0.00000000 0.00000000 2.44966697 0.00000000
|
|
40 0.00000000 0.39820504 -0.31606490 0.00000000 -1.29264517
|
|
41 0.00000000 0.31606490 0.39820504 0.00000000 0.09428838
|
|
42 0.14194138 0.00000000 0.00000000 0.80083423 0.00000000
|
|
43 0.00000000 -2.82783306 2.24451901 0.00000000 8.37985095
|
|
44 0.00000000 -2.24451901 -2.82783306 0.00000000 -0.61124477
|
|
45 -0.97643823 0.00000000 0.00000000 -4.68258727 0.00000000
|
|
46 0.00000000 0.17962393 -0.14257183 0.00000000 -0.65390370
|
|
47 0.00000000 0.14257183 0.17962393 0.00000000 0.04769717
|
|
48 0.09057069 0.00000000 0.00000000 0.40849746 0.00000000
|
|
49 -0.31711621 0.00000000 0.00000000 0.43605557 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00717399 -0.00569417 0.00000000 -0.00319485
|
|
52 -0.31711621 0.00000000 0.00000000 0.43605557 0.00000000
|
|
53 0.00000000 0.00569417 0.00717399 0.00000000 0.00023304
|
|
54 -0.21433694 0.00000000 0.00000000 0.40055151 0.00000000
|
|
55 0.50378734 0.00000000 0.00000000 -0.68947448 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.00271999 0.00215892 0.00000000 0.00645995
|
|
58 0.50378734 0.00000000 0.00000000 -0.68947448 0.00000000
|
|
59 0.00000000 -0.00215892 -0.00271999 0.00000000 -0.00047120
|
|
60 0.42627204 0.00000000 0.00000000 -0.59852711 0.00000000
|
|
61 0.00000000 1.59625155 -1.26698319 0.00000000 -4.68058300
|
|
62 0.00000000 0.56661211 0.71386539 0.00000000 0.15268410
|
|
63 0.20734160 0.00000000 0.00000000 1.17269529 0.00000000
|
|
64 0.00000000 0.71386539 -0.56661211 0.00000000 -2.09322035
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.73964710 -0.58707566 0.00000000 -2.07832562
|
|
67 0.00000000 1.26698319 1.59625155 0.00000000 0.34141202
|
|
68 0.20734160 0.00000000 0.00000000 1.17269529 0.00000000
|
|
69 0.00000000 0.58707566 0.73964710 0.00000000 0.15159764
|
|
70 0.57302932 0.00000000 0.00000000 2.49572037 0.00000000
|
|
66 67 68 69 70
|
|
1 0.00000000 -1.49732415 5.58144110 54.89337437 54.95334122
|
|
2 0.00000000 0.18466917 -1.22425014 -26.63109868 -26.49115393
|
|
3 0.00000000 0.88779828 -3.55787691 -32.21911234 -32.73415130
|
|
4 0.00000000 0.42797308 -1.57025614 -15.52902141 -15.27486048
|
|
5 -0.04986965 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 -0.68368723 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 1.30648195 -0.99233129 0.00989818 -0.32354918
|
|
8 0.30709315 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 4.21008896 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 -7.88216086 4.54123928 0.05756639 1.09929869
|
|
11 -0.02638232 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 -0.36168806 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.58574250 -0.30982814 0.03223732 -0.17627267
|
|
14 0.00000000 0.09470007 -0.16680040 3.56059510 3.53352125
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.00022603 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.09470007 -0.16680040 3.56059510 3.53352125
|
|
18 -0.00309869 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.23075391 -0.54737466 3.57438773 3.47932325
|
|
20 0.00000000 -0.05473290 0.22243965 3.32019371 3.35268711
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00021117 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 -0.05473290 0.22243965 3.32019371 3.35268711
|
|
24 -0.00289510 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 -0.14639620 0.72239847 3.24938370 3.49284520
|
|
26 -0.17045077 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 -1.04504529 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 1.94934566 -1.19577675 0.01883371 -0.28739483
|
|
29 -0.07622790 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.07391163 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 -2.33679231 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 1.94934566 -1.19577675 0.01883371 -0.28739483
|
|
34 -1.01329033 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 4.34761350 -2.15635130 -0.09406849 -0.42589053
|
|
36 0.00000000 2.71604771 -6.44150290 53.75001898 -56.07555624
|
|
37 0.00000000 -0.71186473 1.34465333 -26.07935731 27.03490998
|
|
38 0.00000000 -1.82250309 4.07721776 -31.53747085 33.39207775
|
|
39 0.00000000 -0.72172991 1.81159299 -15.21128930 15.59249395
|
|
40 0.09428838 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 1.29264517 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 -0.68482219 -1.53688147 -0.01673747 -0.32313471
|
|
43 -0.61124477 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 -8.37985095 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 4.91802541 8.08489508 -0.03436115 1.09968234
|
|
46 0.04769717 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.65390370 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 -0.39168059 -0.57825576 -0.03590440 -0.17550878
|
|
49 0.00000000 -0.05002078 0.22819601 3.48690346 -3.60608354
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00023304 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 -0.05002078 0.22819601 3.48690346 -3.60608354
|
|
53 0.00319485 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 -0.14247136 0.62023919 3.50184608 -3.55216304
|
|
55 0.00000000 0.13917828 -0.27411006 3.25013413 -3.42021967
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00047120 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.13917828 -0.27411006 3.25013413 -3.42021967
|
|
59 -0.00645995 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.32523134 -0.74446213 3.17638185 -3.55890987
|
|
61 0.34141202 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 2.09322035 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 -1.17807154 -2.05993080 -0.02489451 -0.28684776
|
|
64 0.15268410 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.15159764 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 4.68058300 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 -1.17807154 -2.05993080 -0.02489451 -0.28684776
|
|
69 2.07832562 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 -2.89162711 -4.16620045 0.08506267 -0.42742629
|
|
|
|
-----------------------------------------
|
|
UHF spin-down orbital coefficients
|
|
-----------------------------------------
|
|
1 2 3 4 5
|
|
1 0.12119799 0.74367335 0.05104923 -0.05110164 0.00000000
|
|
2 -0.01045061 0.02497792 0.05265240 0.36289380 0.00000000
|
|
3 -0.03106399 -0.77416069 -0.55518752 -2.90614752 0.00000000
|
|
4 -0.02004644 1.02112205 -0.14161135 2.22213180 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.00000000 0.32309988
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.25674819
|
|
7 0.00090744 0.01218323 -0.10732677 -0.00829207 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 -1.17240337
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 -0.93163898
|
|
10 0.00168146 -0.04741966 0.38996941 0.02482328 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.60155098
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.47801666
|
|
13 0.00900234 0.02161499 -0.18134085 -0.00749660 0.00000000
|
|
14 0.00047033 0.00852181 0.00651716 0.02337416 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00054590
|
|
17 0.00047033 0.00852181 0.00651716 0.02337416 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00043379
|
|
19 0.00047387 0.00821088 0.00275242 0.02209540 0.00000000
|
|
20 0.00046928 0.07733684 0.05640025 0.30756982 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00103579
|
|
23 0.00046928 0.07733684 0.05640025 0.30756982 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00082308
|
|
25 0.00257240 0.07921839 0.08319953 0.32159284 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.47388209
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.16840535
|
|
28 -0.00002886 0.00848945 -0.07162937 -0.00388663 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.21192651
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.20869070
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.37656581
|
|
33 -0.00002886 0.00848945 -0.07162937 -0.00388663 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.16583405
|
|
35 0.00042832 0.01875269 -0.15247497 -0.00847840 0.00000000
|
|
36 0.98925633 -0.23426122 0.09914974 0.11730129 0.00000000
|
|
37 -0.00723485 -0.01057461 0.25189830 -0.06836699 0.00000000
|
|
38 -0.00692227 0.03387384 -2.58492779 0.58937693 0.00000000
|
|
39 -0.00066055 -0.35937198 2.16958702 -1.01787889 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.44417851
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.35296215
|
|
42 -0.00056183 0.00933692 0.03880518 0.15022838 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 -1.60011538
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 -1.27151618
|
|
45 0.00148475 -0.04558860 -0.13198605 -0.53904748 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.89737276
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.71308857
|
|
48 -0.00517096 -0.01520790 0.07720318 0.29313983 0.00000000
|
|
49 0.00080131 -0.00007513 0.02313940 -0.00287867 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00079079
|
|
52 0.00080131 -0.00007513 0.02313940 -0.00287867 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00062839
|
|
54 0.00066035 -0.00090216 0.02089294 -0.00666041 0.00000000
|
|
55 0.00041295 -0.00702831 0.26706790 -0.06099387 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00227872
|
|
58 0.00041295 -0.00702831 0.26706790 -0.06099387 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00181076
|
|
60 0.00175047 0.00093717 0.28532184 -0.03758661 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.64790265
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.23024772
|
|
63 -0.00023194 0.00770105 0.02432660 0.09939049 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.28975087
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.28737351
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 0.51484956
|
|
68 -0.00023194 0.00770105 0.02432660 0.09939049 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.22835858
|
|
70 -0.00078960 0.01501062 0.05181350 0.21393651 0.00000000
|
|
6 7 8 9 10
|
|
1 0.00000000 -0.02660455 0.00000000 0.00000000 -0.30107809
|
|
2 0.00000000 0.11517644 0.00000000 0.00000000 0.02934529
|
|
3 0.00000000 -0.96815202 0.00000000 0.00000000 0.14807727
|
|
4 0.00000000 0.37792247 0.00000000 0.00000000 -0.88450386
|
|
5 0.25674819 0.00000000 -0.40971456 -0.52967759 0.00000000
|
|
6 -0.32309988 0.00000000 -0.52967759 0.40971456 0.00000000
|
|
7 0.00000000 0.43401633 0.00000000 0.00000000 -0.78765030
|
|
8 -0.93163898 0.00000000 1.49432153 1.93185378 0.00000000
|
|
9 1.17240337 0.00000000 1.93185378 -1.49432153 0.00000000
|
|
10 0.00000000 -1.56856446 0.00000000 0.00000000 2.90716932
|
|
11 0.47801666 0.00000000 -0.84002080 -1.08597603 0.00000000
|
|
12 -0.60155098 0.00000000 -1.08597603 0.84002080 0.00000000
|
|
13 0.00000000 0.82294975 0.00000000 0.00000000 -2.01279014
|
|
14 0.00000000 0.00609111 0.00000000 0.00000000 -0.00529189
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00043379 0.00000000 -0.00083179 -0.00107533 0.00000000
|
|
17 0.00000000 0.00609111 0.00000000 0.00000000 -0.00529189
|
|
18 -0.00054590 0.00000000 -0.00107533 0.00083179 0.00000000
|
|
19 0.00000000 0.01228084 0.00000000 0.00000000 -0.00202916
|
|
20 0.00000000 0.11216027 0.00000000 0.00000000 -0.01346257
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00082308 0.00000000 0.00539395 0.00697328 0.00000000
|
|
23 0.00000000 0.11216027 0.00000000 0.00000000 -0.01346257
|
|
24 0.00103579 0.00000000 0.00697328 -0.00539395 0.00000000
|
|
25 0.00000000 0.05407521 0.00000000 0.00000000 -0.04777947
|
|
26 0.37656581 0.00000000 -0.59507109 -0.76930588 0.00000000
|
|
27 -0.21192651 0.00000000 -0.34404405 0.26612388 0.00000000
|
|
28 0.00000000 0.28115224 0.00000000 0.00000000 -0.50363473
|
|
29 0.16840535 0.00000000 -0.26612388 -0.34404405 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.16583405 0.00000000 -0.26800224 -0.34647238 0.00000000
|
|
32 -0.47388209 0.00000000 -0.76930588 0.59507109 0.00000000
|
|
33 0.00000000 0.28115224 0.00000000 0.00000000 -0.50363473
|
|
34 -0.20869070 0.00000000 -0.34647238 0.26800224 0.00000000
|
|
35 0.00000000 0.62111848 0.00000000 0.00000000 -1.14603024
|
|
36 0.00000000 0.04787356 0.00000000 0.00000000 0.47080160
|
|
37 0.00000000 0.05307611 0.00000000 0.00000000 0.06005132
|
|
38 0.00000000 -0.63123777 0.00000000 0.00000000 -0.57493677
|
|
39 0.00000000 0.28260890 0.00000000 0.00000000 0.93506415
|
|
40 0.35296215 0.00000000 0.27614902 0.35700451 0.00000000
|
|
41 -0.44417851 0.00000000 0.35700451 -0.27614902 0.00000000
|
|
42 0.00000000 -0.47986333 0.00000000 0.00000000 -0.67967452
|
|
43 -1.27151618 0.00000000 -1.00028874 -1.29316987 0.00000000
|
|
44 1.60011538 0.00000000 -1.29316987 1.00028874 0.00000000
|
|
45 0.00000000 1.72187886 0.00000000 0.00000000 2.50156651
|
|
46 0.71308857 0.00000000 0.61342332 0.79303158 0.00000000
|
|
47 -0.89737276 0.00000000 0.79303158 -0.61342332 0.00000000
|
|
48 0.00000000 -1.01097588 0.00000000 0.00000000 -1.85685008
|
|
49 0.00000000 0.00445620 0.00000000 0.00000000 0.00887941
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00062839 0.00000000 -0.00103522 -0.00133833 0.00000000
|
|
52 0.00000000 0.00445620 0.00000000 0.00000000 0.00887941
|
|
53 0.00079079 0.00000000 -0.00133833 0.00103522 0.00000000
|
|
54 0.00000000 0.00991179 0.00000000 0.00000000 0.00430153
|
|
55 0.00000000 0.07519038 0.00000000 0.00000000 0.07015772
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00181076 0.00000000 0.00789880 0.01021155 0.00000000
|
|
58 0.00000000 0.07519038 0.00000000 0.00000000 0.07015772
|
|
59 -0.00227872 0.00000000 0.01021155 -0.00789880 0.00000000
|
|
60 0.00000000 0.02124498 0.00000000 0.00000000 0.11295505
|
|
61 0.51484956 0.00000000 0.39874004 0.51548977 0.00000000
|
|
62 -0.28975087 0.00000000 0.23053403 -0.17832197 0.00000000
|
|
63 0.00000000 -0.30910273 0.00000000 0.00000000 -0.43259520
|
|
64 0.23024772 0.00000000 0.17832197 0.23053403 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.22835858 0.00000000 0.18090737 0.23387644 0.00000000
|
|
67 -0.64790265 0.00000000 0.51548977 -0.39874004 0.00000000
|
|
68 0.00000000 -0.30910273 0.00000000 0.00000000 -0.43259520
|
|
69 -0.28737351 0.00000000 0.23387644 -0.18090737 0.00000000
|
|
70 0.00000000 -0.68619947 0.00000000 0.00000000 -0.99073565
|
|
11 12 13 14 15
|
|
1 0.81638675 2.84015232 -0.03876473 0.00000000 0.00000000
|
|
2 0.18832975 1.41988423 -0.04933289 0.00000000 0.00000000
|
|
3 -1.24722253 -6.95423894 0.36351926 0.00000000 0.00000000
|
|
4 -0.03776983 0.65659728 -0.12510438 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 -0.85934171 0.05832275
|
|
6 0.00000000 0.00000000 0.00000000 0.05832275 0.85934171
|
|
7 0.11731930 -0.18353681 1.27678068 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 3.22172506 -0.21865557
|
|
9 0.00000000 0.00000000 0.00000000 -0.21865557 -3.22172506
|
|
10 -0.46355479 0.69771936 -4.77902891 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 -0.50205889 0.03407428
|
|
12 0.00000000 0.00000000 0.00000000 0.03407428 0.50205889
|
|
13 0.49828481 -0.52090134 0.89454038 0.00000000 0.00000000
|
|
14 0.02050024 0.05898921 -0.02414022 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.01861154 0.00126315
|
|
17 0.02050024 0.05898921 -0.02414022 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00126315 0.01861154
|
|
19 0.00573777 0.05804097 0.03908926 0.00000000 0.00000000
|
|
20 0.18229703 1.01813800 0.05918589 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.11678184 -0.00792588
|
|
23 0.18229703 1.01813800 0.05918589 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.00792588 -0.11678184
|
|
25 0.29102318 1.03051308 -0.49768032 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -1.28343345 0.08710547
|
|
27 0.00000000 0.00000000 0.00000000 0.03895475 0.57396889
|
|
28 0.06701556 -0.11232423 0.84234775 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 -0.57396889 0.03895475
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 -0.55391323 0.03759359
|
|
32 0.00000000 0.00000000 0.00000000 0.08710547 1.28343345
|
|
33 0.06701556 -0.11232423 0.84234775 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.03759359 0.55391323
|
|
35 0.18525680 -0.26726919 1.84258797 0.00000000 0.00000000
|
|
36 2.77211916 -0.62611577 -0.03346764 0.00000000 0.00000000
|
|
37 1.36030087 -0.50469166 -0.05337153 0.00000000 0.00000000
|
|
38 -6.77022254 2.17714594 0.35247269 0.00000000 0.00000000
|
|
39 0.63154406 -0.37390016 -0.05148583 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 -2.07334178 0.14071583
|
|
41 0.00000000 0.00000000 0.00000000 0.14071583 2.07334178
|
|
42 0.14636736 -0.14599297 -1.42934333 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 7.86201530 -0.53358788
|
|
44 0.00000000 0.00000000 0.00000000 -0.53358788 -7.86201530
|
|
45 -0.54150925 0.57750939 5.38652407 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 -1.49317992 0.10134077
|
|
47 0.00000000 0.00000000 0.00000000 0.10134077 1.49317992
|
|
48 0.34833477 -0.58554755 -1.09519430 0.00000000 0.00000000
|
|
49 0.05886046 -0.00913489 -0.02379999 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.02532138 -0.00171854
|
|
52 0.05886046 -0.00913489 -0.02379999 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.00171854 -0.02532138
|
|
54 0.05153281 -0.02187724 0.03887714 0.00000000 0.00000000
|
|
55 0.95129970 -0.31014926 0.06112793 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.16795026 0.01139863
|
|
58 0.95129970 -0.31014926 0.06112793 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.01139863 0.16795026
|
|
60 1.01147205 -0.21964811 -0.50189989 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 -3.06950761 0.20832471
|
|
62 0.00000000 0.00000000 0.00000000 0.09316564 1.37272554
|
|
63 0.09270935 -0.08349277 -0.94160505 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 -1.37272554 0.09316564
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 -1.36184513 0.09242720
|
|
67 0.00000000 0.00000000 0.00000000 0.20832471 3.06950761
|
|
68 0.09270935 -0.08349277 -0.94160505 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.09242720 1.36184513
|
|
70 0.20630118 -0.22636826 -2.06965125 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 0.06035879 0.20233937 -1.97733174 -0.74681435 0.00000000
|
|
6 -0.20233937 0.06035879 -0.74681435 1.97733174 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 -0.22211992 -0.74460746 7.48691010 2.82771566 0.00000000
|
|
9 0.74460746 -0.22211992 2.82771566 -7.48691010 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.07136853 0.23924707 -1.44658230 -0.54635669 0.00000000
|
|
12 -0.23924707 0.07136853 -0.54635669 1.44658230 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.07370374
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002806
|
|
16 0.02898544 0.09716721 0.00038966 0.00014717 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.07370374
|
|
18 -0.09716721 0.02898544 0.00014717 -0.00038966 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.51220209
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00019499
|
|
22 -0.19663238 -0.65916618 -0.00273400 -0.00103260 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.51220209
|
|
24 0.65916618 -0.19663238 -0.00103260 0.00273400 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.09089542 0.30470662 -2.91179775 -1.09975089 0.00000000
|
|
27 -0.13626894 0.04064967 -0.49182355 1.30219554 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.00483742
|
|
29 0.04064967 0.13626894 -1.30219554 -0.49182355 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000184
|
|
31 0.03576143 0.11988222 -1.30963548 -0.49463353 0.00000000
|
|
32 -0.30470662 0.09089542 -1.09975089 2.91179775 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 -0.00483742
|
|
34 -0.11988222 0.03576143 -0.49463353 1.30963548 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 -0.10006070 -0.33543119 0.77132211 0.29131906 0.00000000
|
|
41 0.33543119 -0.10006070 0.29131906 -0.77132211 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.38853101 1.30246354 -2.95155386 -1.11476630 0.00000000
|
|
44 -1.30246354 0.38853101 -1.11476630 2.95155386 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 -0.06072028 -0.20355120 0.68641030 0.25924889 0.00000000
|
|
47 0.20355120 -0.06072028 0.25924889 -0.68641030 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.10699948
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00004073
|
|
51 -0.02952349 -0.09897093 -0.01689825 -0.00638226 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.10699948
|
|
53 0.09897093 -0.02952349 -0.00638226 0.01689825 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.77327431
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00029438
|
|
57 0.20645884 0.69210720 0.12540012 0.04736211 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.77327431
|
|
59 -0.69210720 0.20645884 0.04736211 -0.12540012 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 -0.14504621 -0.48623506 1.12682824 0.42558944 0.00000000
|
|
62 0.21745093 -0.06486664 0.19032938 -0.50393291 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 -0.00305556
|
|
64 -0.06486664 -0.21745093 0.50393291 0.19032938 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000116
|
|
66 -0.07043207 -0.23610781 0.51787278 0.19559430 0.00000000
|
|
67 0.48623506 -0.14504621 0.42558944 -1.12682824 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 0.00305556
|
|
69 0.23610781 -0.07043207 0.19559430 -0.51787278 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.19586795 0.00000000 0.00000000 -0.01969838
|
|
2 0.00000000 -0.04887614 0.00000000 0.00000000 0.02331008
|
|
3 0.00000000 -0.14032556 0.00000000 0.00000000 0.48543742
|
|
4 0.00000000 0.57850774 0.00000000 0.00000000 -0.20107199
|
|
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 1.66796185 0.00000000 0.00000000 -1.28937638
|
|
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 -6.40629502 0.00000000 0.00000000 4.91481013
|
|
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 1.84942021 0.00000000 0.00000000 -0.97828940
|
|
14 0.00002430 0.00614203 -0.10689904 -0.00014538 -0.04148924
|
|
15 -0.08510575 0.00000000 0.00016787 -0.12343638 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -0.00002430 0.00614203 0.10689904 0.00014538 -0.04148924
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00799502 0.00000000 0.00000000 0.06261882
|
|
20 -0.00016887 0.03661373 0.78287539 0.00106467 0.18597507
|
|
21 0.59144003 0.00000000 -0.00122938 0.90398664 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00016887 0.03661373 -0.78287539 -0.00106467 0.18597507
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.09144486 0.00000000 0.00000000 -0.66807526
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 -0.00000159 1.07822348 -0.00379240 -0.00000516 -0.85203308
|
|
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00558577 0.00000000 0.00000596 -0.00437908 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 0.00000159 1.07822348 0.00379240 0.00000516 -0.85203308
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 2.46402864 0.00000000 0.00000000 -1.87995392
|
|
36 0.00000000 -0.19685442 0.00000000 0.00000000 0.01020449
|
|
37 0.00000000 0.05183447 0.00000000 0.00000000 0.02497489
|
|
38 0.00000000 0.27568129 0.00000000 0.00000000 0.43190926
|
|
39 0.00000000 -0.62014260 0.00000000 0.00000000 -0.09803851
|
|
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 1.73197347 0.00000000 0.00000000 0.94372584
|
|
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 -6.69540930 0.00000000 0.00000000 -3.59765923
|
|
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 1.93664808 0.00000000 0.00000000 0.66149576
|
|
49 0.00003528 -0.01689213 0.06862580 0.00009333 -0.04076632
|
|
50 -0.12355236 0.00000000 -0.00010777 0.07924224 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00003528 -0.01689213 -0.06862580 -0.00009333 -0.04076632
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00801950 0.00000000 0.00000000 0.06306432
|
|
55 -0.00025494 0.00394811 -0.52423016 -0.00071293 0.19769966
|
|
56 0.89290026 0.00000000 0.00082322 -0.60532885 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00025494 0.00394811 0.52423016 0.00071293 0.19769966
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 -0.27820550 0.00000000 0.00000000 -0.66705253
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000101 1.12199073 -0.00561103 -0.00000763 0.62970784
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 -0.00352826 0.00000000 0.00000881 -0.00647907 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 -0.00000101 1.12199073 0.00561103 0.00000763 0.62970784
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 2.56199171 0.00000000 0.00000000 1.36808863
|
|
26 27 28 29 30
|
|
1 0.00000000 0.00000000 0.52930682 1.20518087 1.10345471
|
|
2 0.00000000 0.00000000 -0.38905427 0.36041580 -0.31200960
|
|
3 0.00000000 0.00000000 -0.87750588 -5.01538471 -3.92684823
|
|
4 0.00000000 0.00000000 0.01834338 0.20095951 0.57845843
|
|
5 0.33022156 -0.16685060 0.00000000 0.00000000 0.00000000
|
|
6 0.16685060 0.33022156 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.09850631 -0.51142165 0.32417350
|
|
8 -1.24810453 0.63062808 0.00000000 0.00000000 0.00000000
|
|
9 -0.63062808 -1.24810453 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.42310887 1.84786551 -1.09766006
|
|
11 0.39827988 -0.20123833 0.00000000 0.00000000 0.00000000
|
|
12 0.20123833 0.39827988 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.63285286 -1.22512271 0.50136964
|
|
14 0.00000000 0.00000000 0.05453521 0.02371209 0.10584959
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.09138028 0.04617159 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.05453521 0.02371209 0.10584959
|
|
18 -0.04617159 -0.09138028 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00557807 0.16295463 0.05055749
|
|
20 0.00000000 0.00000000 0.28790277 1.75048546 1.14582478
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.75872015 -0.38335750 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.28790277 1.75048546 1.14582478
|
|
24 0.38335750 0.75872015 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.82124210 0.31423029 1.74523682
|
|
26 0.49351237 -0.24935632 0.00000000 0.00000000 0.00000000
|
|
27 0.11151554 0.22070544 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.05164512 -0.35906852 0.23827870
|
|
29 0.22070544 -0.11151554 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.18999268 -0.09599734 0.00000000 0.00000000 0.00000000
|
|
32 0.24935632 0.49351237 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.05164512 -0.35906852 0.23827870
|
|
34 0.09599734 0.18999268 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.15340421 -0.67729936 0.43260354
|
|
36 0.00000000 0.00000000 1.60755834 0.13921264 -0.58404833
|
|
37 0.00000000 0.00000000 0.12161884 -0.55193015 0.20222365
|
|
38 0.00000000 0.00000000 -6.07115639 0.69109739 2.31777427
|
|
39 0.00000000 0.00000000 0.39408612 0.04653022 -0.49410209
|
|
40 -0.31532811 0.15932541 0.00000000 0.00000000 0.00000000
|
|
41 -0.15932541 -0.31532811 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.31425338 -0.37904820 0.39472076
|
|
43 1.19303231 -0.60280181 0.00000000 0.00000000 0.00000000
|
|
44 0.60280181 1.19303231 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -1.13027751 1.40292455 -1.31857673
|
|
46 -0.39398678 0.19906916 0.00000000 0.00000000 0.00000000
|
|
47 -0.19906916 -0.39398678 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.67103493 -1.19574122 0.51355834
|
|
49 0.00000000 0.00000000 0.07991707 0.05681488 -0.07464405
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.08237884 0.04162344 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.07991707 0.05681488 -0.07464405
|
|
53 -0.04162344 -0.08237884 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.16032896 -0.05401233 -0.01551162
|
|
55 0.00000000 0.00000000 2.01748304 -0.29890987 -0.61042455
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.71293659 -0.36022450 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 2.01748304 -0.29890987 -0.61042455
|
|
59 0.36022450 0.71293659 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 1.18276508 0.91528388 -1.26403347
|
|
61 -0.47302679 0.23900561 0.00000000 0.00000000 0.00000000
|
|
62 -0.10688656 -0.21154401 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.22316930 -0.25391226 0.29308885
|
|
64 -0.21154401 0.10688656 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 -0.17826512 0.09007177 0.00000000 0.00000000 0.00000000
|
|
67 -0.23900561 -0.47302679 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.22316930 -0.25391226 0.29308885
|
|
69 -0.09007177 -0.17826512 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.40754673 -0.51992762 0.51778673
|
|
31 32 33 34 35
|
|
1 0.00000000 0.00000000 0.22079470 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.07540460 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.52644346 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -0.00591049 0.00000000 0.00000000
|
|
5 2.25774753 0.35037224 0.00000000 3.28825854 -1.01601999
|
|
6 0.35037224 -2.25774753 0.00000000 1.01601999 3.28825854
|
|
7 0.00000000 0.00000000 2.45976217 0.00000000 0.00000000
|
|
8 -7.00654189 -1.08732166 0.00000000 -10.27759219 3.17561379
|
|
9 -1.08732166 7.00654189 0.00000000 -3.17561379 -10.27759219
|
|
10 0.00000000 0.00000000 -7.56100418 0.00000000 0.00000000
|
|
11 0.64523343 0.10013160 0.00000000 1.11939756 -0.34587618
|
|
12 0.10013160 -0.64523343 0.00000000 0.34587618 1.11939756
|
|
13 0.00000000 0.00000000 0.75565955 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.02791703 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00270292 0.00041946 0.00000000 0.00099649 -0.00030790
|
|
17 0.00000000 0.00000000 0.02791703 0.00000000 0.00000000
|
|
18 0.00041946 -0.00270292 0.00000000 0.00030790 0.00099649
|
|
19 0.00000000 0.00000000 -0.01017064 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.05955457 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00244494 0.00037942 0.00000000 0.02771640 -0.00856393
|
|
23 0.00000000 0.00000000 0.05955457 0.00000000 0.00000000
|
|
24 0.00037942 -0.00244494 0.00000000 0.00856393 0.02771640
|
|
25 0.00000000 0.00000000 0.25678951 0.00000000 0.00000000
|
|
26 3.42213132 0.53106904 0.00000000 4.90712745 -1.51622494
|
|
27 0.23750130 -1.53042365 0.00000000 0.67807641 2.19453411
|
|
28 0.00000000 0.00000000 1.69008241 0.00000000 0.00000000
|
|
29 1.53042365 0.23750130 0.00000000 2.19453411 -0.67807641
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 1.47069746 0.22823259 0.00000000 2.22232352 -0.68666290
|
|
32 0.53106904 -3.42213132 0.00000000 1.51622494 4.90712745
|
|
33 0.00000000 0.00000000 1.69008241 0.00000000 0.00000000
|
|
34 0.22823259 -1.47069746 0.00000000 0.68666290 2.22232352
|
|
35 0.00000000 0.00000000 3.54222552 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.21195326 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.05621203 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 -0.50481087 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.05285062 0.00000000 0.00000000
|
|
40 3.27610481 0.50840768 0.00000000 -2.39210243 0.73912190
|
|
41 0.50840768 -3.27610481 0.00000000 -0.73912190 -2.39210243
|
|
42 0.00000000 0.00000000 -2.98099123 0.00000000 0.00000000
|
|
43 -10.19080935 -1.58147741 0.00000000 7.48878302 -2.31391577
|
|
44 -1.58147741 10.19080935 0.00000000 2.31391577 7.48878302
|
|
45 0.00000000 0.00000000 9.22013383 0.00000000 0.00000000
|
|
46 1.00488898 0.15594534 0.00000000 -0.85588438 0.26445477
|
|
47 0.15594534 -1.00488898 0.00000000 -0.26445477 -0.85588438
|
|
48 0.00000000 0.00000000 -0.97892889 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.02429084 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00289049 -0.00044857 0.00000000 0.00003927 -0.00001213
|
|
52 0.00000000 0.00000000 0.02429084 0.00000000 0.00000000
|
|
53 -0.00044857 0.00289049 0.00000000 0.00001213 0.00003927
|
|
54 0.00000000 0.00000000 -0.00639753 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.05617420 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.01155062 -0.00179250 0.00000000 0.02522693 -0.00779472
|
|
58 0.00000000 0.00000000 0.05617420 0.00000000 0.00000000
|
|
59 -0.00179250 0.01155062 0.00000000 0.00779472 0.02522693
|
|
60 0.00000000 0.00000000 0.21802828 0.00000000 0.00000000
|
|
61 4.92707051 0.76461549 0.00000000 -3.54269824 1.09463785
|
|
62 0.34194644 -2.20345292 0.00000000 -0.48953693 -1.58434282
|
|
63 0.00000000 0.00000000 -2.01977889 0.00000000 0.00000000
|
|
64 2.20345292 0.34194644 0.00000000 -1.58434282 0.48953693
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 2.15523698 0.33446397 0.00000000 -1.63260347 0.50444871
|
|
67 0.76461549 -4.92707051 0.00000000 -1.09463785 -3.54269824
|
|
68 0.00000000 0.00000000 -2.01977889 0.00000000 0.00000000
|
|
69 0.33446397 -2.15523698 0.00000000 -0.50444871 -1.63260347
|
|
70 0.00000000 0.00000000 -4.32963955 0.00000000 0.00000000
|
|
36 37 38 39 40
|
|
1 0.05509412 0.00000000 0.00000000 -0.67379397 0.00000000
|
|
2 -0.10162648 0.00000000 0.00000000 0.32554681 0.00000000
|
|
3 -0.05928504 0.00000000 0.00000000 0.08118033 0.00000000
|
|
4 -0.39269197 0.00000000 0.00000000 0.23460848 0.00000000
|
|
5 0.00000000 -0.15631302 -0.13982856 0.00000000 0.00000000
|
|
6 0.00000000 0.13982856 -0.15631302 0.00000000 0.00000000
|
|
7 -3.58829125 0.00000000 0.00000000 -0.83746557 0.00000000
|
|
8 0.00000000 0.44829747 0.40102089 0.00000000 0.00000000
|
|
9 0.00000000 -0.40102089 0.44829747 0.00000000 0.00000000
|
|
10 11.41650517 0.00000000 0.00000000 2.66153147 0.00000000
|
|
11 0.00000000 -0.03362109 -0.03007547 0.00000000 0.00000000
|
|
12 0.00000000 0.03007547 -0.03362109 0.00000000 0.00000000
|
|
13 -1.50545907 0.00000000 0.00000000 -0.35138268 0.00000000
|
|
14 0.02174415 0.00000000 0.00000000 -0.01138698 -0.01211878
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00003409
|
|
16 0.00000000 0.02996591 0.02680576 0.00000000 0.00000000
|
|
17 0.02174415 0.00000000 0.00000000 -0.01138698 0.01211878
|
|
18 0.00000000 -0.02680576 0.02996591 0.00000000 0.00000000
|
|
19 -0.02355976 0.00000000 0.00000000 -0.00265252 0.00000000
|
|
20 0.00414695 0.00000000 0.00000000 0.08213009 -0.00604744
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001701
|
|
22 0.00000000 0.02299539 0.02057034 0.00000000 0.00000000
|
|
23 0.00414695 0.00000000 0.00000000 0.08213009 0.00604744
|
|
24 0.00000000 -0.02057034 0.02299539 0.00000000 0.00000000
|
|
25 0.14415648 0.00000000 0.00000000 0.10201308 0.00000000
|
|
26 0.00000000 0.09580681 0.08570321 0.00000000 0.00000000
|
|
27 0.00000000 -0.03832764 0.04284611 0.00000000 0.00000000
|
|
28 -2.30170605 0.00000000 0.00000000 -0.07153571 0.46931623
|
|
29 0.00000000 0.04284611 0.03832764 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00132007
|
|
31 0.00000000 -0.63788741 -0.57061705 0.00000000 0.00000000
|
|
32 0.00000000 -0.08570321 0.09580681 0.00000000 0.00000000
|
|
33 -2.30170605 0.00000000 0.00000000 -0.07153571 -0.46931623
|
|
34 0.00000000 0.57061705 -0.63788741 0.00000000 0.00000000
|
|
35 -5.51636649 0.00000000 0.00000000 -1.87316610 0.00000000
|
|
36 -0.07066833 0.00000000 0.00000000 -0.64494829 0.00000000
|
|
37 0.10430749 0.00000000 0.00000000 0.31980246 0.00000000
|
|
38 0.12094250 0.00000000 0.00000000 0.06371556 0.00000000
|
|
39 0.38583444 0.00000000 0.00000000 0.23361299 0.00000000
|
|
40 0.00000000 -0.14392659 -0.12874838 0.00000000 0.00000000
|
|
41 0.00000000 0.12874838 -0.14392659 0.00000000 0.00000000
|
|
42 -3.21115482 0.00000000 0.00000000 0.75928254 0.00000000
|
|
43 0.00000000 0.41368473 0.37005835 0.00000000 0.00000000
|
|
44 0.00000000 -0.37005835 0.41368473 0.00000000 0.00000000
|
|
45 10.25137573 0.00000000 0.00000000 -2.41498437 0.00000000
|
|
46 0.00000000 -0.03417602 -0.03057188 0.00000000 0.00000000
|
|
47 0.00000000 0.03057188 -0.03417602 0.00000000 0.00000000
|
|
48 -1.39065203 0.00000000 0.00000000 0.32695597 0.00000000
|
|
49 -0.02526495 0.00000000 0.00000000 -0.00848224 -0.00823633
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002317
|
|
51 0.00000000 -0.02677735 -0.02395347 0.00000000 0.00000000
|
|
52 -0.02526495 0.00000000 0.00000000 -0.00848224 0.00823633
|
|
53 0.00000000 0.02395347 -0.02677735 0.00000000 0.00000000
|
|
54 0.02444016 0.00000000 0.00000000 -0.00536718 0.00000000
|
|
55 -0.01124677 0.00000000 0.00000000 0.08359251 -0.00323081
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000909
|
|
57 0.00000000 -0.01856536 -0.01660749 0.00000000 0.00000000
|
|
58 -0.01124677 0.00000000 0.00000000 0.08359251 0.00323081
|
|
59 0.00000000 0.01660749 -0.01856536 0.00000000 0.00000000
|
|
60 -0.17517948 0.00000000 0.00000000 0.09023117 0.00000000
|
|
61 0.00000000 0.14166810 0.12672806 0.00000000 0.00000000
|
|
62 0.00000000 -0.05667451 0.06335590 0.00000000 0.00000000
|
|
63 -2.03358580 0.00000000 0.00000000 0.00714098 -0.72616582
|
|
64 0.00000000 0.06335590 0.05667451 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00204253
|
|
66 0.00000000 -0.68060515 -0.60882986 0.00000000 0.00000000
|
|
67 0.00000000 -0.12672806 0.14166810 0.00000000 0.00000000
|
|
68 -2.03358580 0.00000000 0.00000000 0.00714098 0.72616582
|
|
69 0.00000000 0.60882986 -0.68060515 0.00000000 0.00000000
|
|
70 -4.96947251 0.00000000 0.00000000 1.77621097 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 -0.00002952 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 0.01399356 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00002952 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 -0.00001473 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00698298 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00001473 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 0.03422544 -0.05089670 0.77829279 -0.12449299
|
|
27 0.00000000 0.06828508 0.04591825 0.16702487 1.04418935
|
|
28 0.00114322 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 -0.04591825 0.06828508 -1.04418935 0.16702487
|
|
30 -0.54191971 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 -0.05089670 -0.03422544 -0.12449299 -0.77829279
|
|
33 -0.00114322 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 -0.00002006 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00951050 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00002006 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 -0.00000787 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00373062 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000787 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 0.43981547 -0.65405011 -0.06071665 0.00971202
|
|
62 0.00000000 0.87750030 0.59007437 -0.01303005 -0.08145994
|
|
63 -0.00176888 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 -0.59007437 0.87750030 0.08145994 -0.01303005
|
|
65 0.83850407 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 -0.65405011 -0.43981547 0.00971202 0.06071665
|
|
68 0.00176888 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 -1.51659688
|
|
2 0.00000000 0.00000000 0.00000000 0.00000000 0.45361506
|
|
3 0.00000000 0.00000000 0.00000000 0.00000000 1.02195069
|
|
4 0.00000000 0.00000000 0.00000000 0.00000000 0.29234645
|
|
5 0.00000000 0.00000000 -0.07799732 0.02162008 0.00000000
|
|
6 0.00000000 0.00000000 0.02162008 0.07799732 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -1.08961102
|
|
8 0.00000000 0.00000000 0.16828633 -0.04664729 0.00000000
|
|
9 0.00000000 0.00000000 -0.04664729 -0.16828633 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 3.22157654
|
|
11 0.00000000 0.00000000 0.03178425 -0.00881027 0.00000000
|
|
12 0.00000000 0.00000000 -0.00881027 -0.03178425 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.30325474
|
|
14 -0.00776121 0.00000393 0.00000000 0.00000000 -0.12554010
|
|
15 0.00000453 0.00896187 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.06769528 -0.01876445 0.00000000
|
|
17 0.00776121 -0.00000393 0.00000000 0.00000000 -0.12554010
|
|
18 0.00000000 0.00000000 -0.01876445 -0.06769528 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.16747776
|
|
20 -0.00456141 0.00000231 0.00000000 0.00000000 -0.09127934
|
|
21 0.00000266 0.00526706 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.03556009 -0.00985690 0.00000000
|
|
23 0.00456141 -0.00000231 0.00000000 0.00000000 -0.09127934
|
|
24 0.00000000 0.00000000 -0.00985690 -0.03556009 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.07086707
|
|
26 0.00000000 0.00000000 -0.52278302 0.14491022 0.00000000
|
|
27 0.00000000 0.00000000 0.06480582 0.23379567 0.00000000
|
|
28 -0.72763817 0.00036811 0.00000000 0.00000000 -1.10707780
|
|
29 0.00000000 0.00000000 -0.23379567 0.06480582 0.00000000
|
|
30 0.00042506 0.84020419 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.74074045 -0.20532583 0.00000000
|
|
32 0.00000000 0.00000000 0.14491022 0.52278302 0.00000000
|
|
33 0.72763817 -0.00036811 0.00000000 0.00000000 -1.10707780
|
|
34 0.00000000 0.00000000 -0.20532583 -0.74074045 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.77668306
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 1.56724664
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.47124435
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 -1.04781461
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.30678341
|
|
40 0.00000000 0.00000000 0.08889114 -0.02463973 0.00000000
|
|
41 0.00000000 0.00000000 -0.02463973 -0.08889114 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 -1.09698738
|
|
43 0.00000000 0.00000000 -0.19616983 0.05437631 0.00000000
|
|
44 0.00000000 0.00000000 0.05437631 0.19616983 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 3.23889480
|
|
46 0.00000000 0.00000000 -0.02986065 0.00827707 0.00000000
|
|
47 0.00000000 0.00000000 0.00827707 0.02986065 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.30883076
|
|
49 0.01268968 -0.00000642 0.00000000 0.00000000 0.12884302
|
|
50 -0.00000741 -0.01465279 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.07440106 -0.02062323 0.00000000
|
|
52 -0.01268968 0.00000642 0.00000000 0.00000000 0.12884302
|
|
53 0.00000000 0.00000000 -0.02062323 -0.07440106 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.17661952
|
|
55 0.00614229 -0.00000311 0.00000000 0.00000000 0.09001257
|
|
56 -0.00000359 -0.00709251 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.03566281 -0.00988537 0.00000000
|
|
58 -0.00614229 0.00000311 0.00000000 0.00000000 0.09001257
|
|
59 0.00000000 0.00000000 -0.00988537 -0.03566281 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.06594752
|
|
61 0.00000000 0.00000000 0.49891733 -0.13829489 0.00000000
|
|
62 0.00000000 0.00000000 -0.06184735 -0.22312261 0.00000000
|
|
63 -0.47160726 0.00023858 0.00000000 0.00000000 -1.09412415
|
|
64 0.00000000 0.00000000 0.22312261 -0.06184735 0.00000000
|
|
65 0.00027549 0.54456516 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.67110025 0.18602227 0.00000000
|
|
67 0.00000000 0.00000000 -0.13829489 -0.49891733 0.00000000
|
|
68 0.47160726 -0.00023858 0.00000000 0.00000000 -1.09412415
|
|
69 0.00000000 0.00000000 0.18602227 0.67110025 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 -0.80075830
|
|
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 -0.00207760 -0.00021884 0.00000000 0.00000000 0.00000000
|
|
6 -0.00021884 0.00207760 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 -0.02496649 -0.00262985 0.00000000 0.00000000 0.00000000
|
|
9 -0.00262985 0.02496649 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.03710160 0.00390810 0.00000000 0.00000000 0.00000000
|
|
12 0.00390810 -0.03710160 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 -0.01588160 0.50720439 -0.04248892
|
|
15 0.00000000 0.00000000 0.58566918 0.01833849 -1.07289381
|
|
16 0.79541621 0.08378522 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.01588160 -0.50720439 0.04248892
|
|
18 0.08378522 -0.79541621 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00740803 -0.23658716 0.02088098
|
|
21 0.00000000 0.00000000 -0.27318732 -0.00855405 0.52726867
|
|
22 -0.34557285 -0.03640094 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.00740803 0.23658716 -0.02088098
|
|
24 -0.03640094 0.34557285 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 -0.02910155 -0.00306541 0.00000000 0.00000000 0.00000000
|
|
27 -0.00137089 0.01301461 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 -0.00050174 0.01602401 0.00040704
|
|
29 -0.01301461 -0.00137089 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.01850293 0.00057936 0.01027812
|
|
31 0.06816121 0.00717977 0.00000000 0.00000000 0.00000000
|
|
32 -0.00306541 0.02910155 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.00050174 -0.01602401 -0.00040704
|
|
34 0.00717977 -0.06816121 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 -0.01254808 -0.00132175 0.00000000 0.00000000 0.00000000
|
|
41 -0.00132175 0.01254808 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.01451448 0.00152888 0.00000000 0.00000000 0.00000000
|
|
44 0.00152888 -0.01451448 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.02038566 0.00214733 0.00000000 0.00000000 0.00000000
|
|
47 0.00214733 -0.02038566 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 -0.02899998 0.92616071 0.02350257
|
|
50 0.00000000 0.00000000 1.06943827 0.03348629 0.59346681
|
|
51 -0.89490844 -0.09426524 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.02899998 -0.92616071 -0.02350257
|
|
53 -0.09426524 0.89490844 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.01398023 -0.44648104 -0.01190485
|
|
56 0.00000000 0.00000000 -0.51555190 -0.01614298 -0.30061120
|
|
57 0.40646137 0.04281464 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.01398023 0.44648104 0.01190485
|
|
59 0.04281464 -0.40646137 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 -0.03603924 -0.00379620 0.00000000 0.00000000 0.00000000
|
|
62 -0.00169771 0.01611724 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.00026494 -0.00846138 0.00071472
|
|
64 -0.01611724 -0.00169771 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 -0.00977036 -0.00030593 0.01804741
|
|
66 0.04683770 0.00493365 0.00000000 0.00000000 0.00000000
|
|
67 -0.00379620 0.03603924 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 -0.00026494 0.00846138 -0.00071472
|
|
69 0.00493365 -0.04683770 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 57 58 59 60
|
|
1 0.00000000 -0.18135752 0.00000000 0.00000000 -2.27929868
|
|
2 0.00000000 0.00028792 0.00000000 0.00000000 0.23272680
|
|
3 0.00000000 0.09860910 0.00000000 0.00000000 2.43814430
|
|
4 0.00000000 0.02377507 0.00000000 0.00000000 0.59451086
|
|
5 0.00000000 0.00000000 -0.08994058 0.01936686 0.00000000
|
|
6 0.00000000 0.00000000 -0.01936686 -0.08994058 0.00000000
|
|
7 0.00000000 -0.32999435 0.00000000 0.00000000 -0.00554639
|
|
8 0.00000000 0.00000000 0.33517831 -0.07217376 0.00000000
|
|
9 0.00000000 0.00000000 0.07217376 0.33517831 0.00000000
|
|
10 0.00000000 1.23622316 0.00000000 0.00000000 -0.71494671
|
|
11 0.00000000 0.00000000 -0.13495594 0.02905999 0.00000000
|
|
12 0.00000000 0.00000000 -0.02905999 -0.13495594 0.00000000
|
|
13 0.00000000 -0.15107362 0.00000000 0.00000000 0.73369191
|
|
14 -0.92915329 -0.39586694 0.00000000 0.00000000 0.51774017
|
|
15 0.04906198 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.91438565 -0.19689417 0.00000000
|
|
17 0.92915329 -0.39586694 0.00000000 0.00000000 0.51774017
|
|
18 0.00000000 0.00000000 0.19689417 0.91438565 0.00000000
|
|
19 0.00000000 0.87482463 0.00000000 0.00000000 -0.87467239
|
|
20 0.45662806 0.23290595 0.00000000 0.00000000 -0.66174434
|
|
21 -0.02411128 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.52651485 0.11337416 0.00000000
|
|
23 -0.45662806 0.23290595 0.00000000 0.00000000 -0.66174434
|
|
24 0.00000000 0.00000000 -0.11337416 -0.52651485 0.00000000
|
|
25 0.00000000 -0.35545726 0.00000000 0.00000000 0.59065989
|
|
26 0.00000000 0.00000000 -0.07556200 0.01627072 0.00000000
|
|
27 0.00000000 0.00000000 -0.00727649 -0.03379235 0.00000000
|
|
28 0.00890111 -0.26352836 0.00000000 0.00000000 0.00864654
|
|
29 0.00000000 0.00000000 -0.03379235 0.00727649 0.00000000
|
|
30 -0.00047000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.15591218 0.03357248 0.00000000
|
|
32 0.00000000 0.00000000 -0.01627072 -0.07556200 0.00000000
|
|
33 -0.00890111 -0.26352836 0.00000000 0.00000000 0.00864654
|
|
34 0.00000000 0.00000000 -0.03357248 -0.15591218 0.00000000
|
|
35 0.00000000 -0.52821889 0.00000000 0.00000000 0.57218746
|
|
36 0.00000000 -0.11112852 0.00000000 0.00000000 2.54458336
|
|
37 0.00000000 -0.00230230 0.00000000 0.00000000 -0.29129127
|
|
38 0.00000000 0.00568536 0.00000000 0.00000000 -2.61297529
|
|
39 0.00000000 0.00630637 0.00000000 0.00000000 -0.66436884
|
|
40 0.00000000 0.00000000 0.08931297 -0.01923171 0.00000000
|
|
41 0.00000000 0.00000000 0.01923171 0.08931297 0.00000000
|
|
42 0.00000000 0.31617368 0.00000000 0.00000000 -0.00730844
|
|
43 0.00000000 0.00000000 -0.33767941 0.07271232 0.00000000
|
|
44 0.00000000 0.00000000 -0.07271232 -0.33767941 0.00000000
|
|
45 0.00000000 -1.22145029 0.00000000 0.00000000 -0.73007274
|
|
46 0.00000000 0.00000000 0.13812723 -0.02974286 0.00000000
|
|
47 0.00000000 0.00000000 0.02974286 0.13812723 0.00000000
|
|
48 0.00000000 0.18400136 0.00000000 0.00000000 0.73156783
|
|
49 0.51395734 -0.41591134 0.00000000 0.00000000 -0.51066565
|
|
50 -0.02713843 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.82088021 -0.17675969 0.00000000
|
|
52 -0.51395734 -0.41591134 0.00000000 0.00000000 -0.51066565
|
|
53 0.00000000 0.00000000 0.17675969 0.82088021 0.00000000
|
|
54 0.00000000 0.91516075 0.00000000 0.00000000 0.82583224
|
|
55 -0.26033693 0.26294777 0.00000000 0.00000000 0.67025528
|
|
56 0.01374654 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.48637141 0.10473009 0.00000000
|
|
58 0.26033693 0.26294777 0.00000000 0.00000000 0.67025528
|
|
59 0.00000000 0.00000000 -0.10473009 -0.48637141 0.00000000
|
|
60 0.00000000 -0.39057629 0.00000000 0.00000000 -0.55853351
|
|
61 0.00000000 0.00000000 0.07405368 -0.01594594 0.00000000
|
|
62 0.00000000 0.00000000 0.00713124 0.03311781 0.00000000
|
|
63 0.01562952 0.24891604 0.00000000 0.00000000 0.01381617
|
|
64 0.00000000 0.00000000 0.03311781 -0.00713124 0.00000000
|
|
65 -0.00082528 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.16119269 -0.03470954 0.00000000
|
|
67 0.00000000 0.00000000 0.01594594 0.07405368 0.00000000
|
|
68 -0.01562952 0.24891604 0.00000000 0.00000000 0.01381617
|
|
69 0.00000000 0.00000000 0.03470954 0.16119269 0.00000000
|
|
70 0.00000000 0.53787516 0.00000000 0.00000000 0.58707577
|
|
61 62 63 64 65
|
|
1 7.45283634 0.00000000 0.00000000 -9.90027764 0.00000000
|
|
2 -1.71670132 0.00000000 0.00000000 2.09765338 0.00000000
|
|
3 -4.85177892 0.00000000 -0.00000000 6.69945982 0.00000000
|
|
4 -2.06264939 0.00000000 0.00000000 2.44966697 0.00000000
|
|
5 0.00000000 0.50811449 0.01685050 0.00000000 -1.14232863
|
|
6 0.00000000 0.01685050 -0.50811449 0.00000000 -0.61229662
|
|
7 -0.14194138 0.00000000 0.00000000 -0.80083423 0.00000000
|
|
8 0.00000000 -3.60834951 -0.11966298 0.00000000 7.40539154
|
|
9 0.00000000 -0.11966298 3.60834951 0.00000000 3.96934481
|
|
10 0.97643823 0.00000000 -0.00000000 4.68258727 0.00000000
|
|
11 0.00000000 0.22920233 0.00760099 0.00000000 -0.57786385
|
|
12 0.00000000 0.00760099 -0.22920233 0.00000000 -0.30973931
|
|
13 -0.09057069 0.00000000 0.00000000 -0.40849746 0.00000000
|
|
14 -0.31711621 0.00000000 0.00000000 0.43605557 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.00915410 -0.00030358 0.00000000 0.00282334
|
|
17 -0.31711621 0.00000000 0.00000000 0.43605557 0.00000000
|
|
18 0.00000000 -0.00030358 0.00915410 0.00000000 0.00151333
|
|
19 -0.21433694 0.00000000 0.00000000 0.40055151 0.00000000
|
|
20 0.50378734 0.00000000 0.00000000 -0.68947448 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00347074 0.00011510 0.00000000 -0.00570875
|
|
23 0.50378734 0.00000000 0.00000000 -0.68947448 0.00000000
|
|
24 0.00000000 0.00011510 -0.00347074 0.00000000 -0.00305993
|
|
25 0.42627204 0.00000000 0.00000000 -0.59852711 0.00000000
|
|
26 0.00000000 2.03683646 0.06754721 0.00000000 -4.13629669
|
|
27 0.00000000 0.03020803 -0.91090096 0.00000000 -0.99151087
|
|
28 -0.20734160 0.00000000 0.00000000 -1.17269529 0.00000000
|
|
29 0.00000000 0.91090096 0.03020803 0.00000000 -1.84980811
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.94379873 0.03129901 0.00000000 -1.83664543
|
|
32 0.00000000 0.06754721 -2.03683646 0.00000000 -2.21708571
|
|
33 -0.20734160 0.00000000 0.00000000 -1.17269529 0.00000000
|
|
34 0.00000000 0.03129901 -0.94379873 0.00000000 -0.98445558
|
|
35 -0.57302932 0.00000000 0.00000000 -2.49572037 0.00000000
|
|
36 12.47488361 0.00000000 -0.00000000 3.53031627 0.00000000
|
|
37 -2.77194364 0.00000000 0.00000000 -0.68211655 0.00000000
|
|
38 -8.25801765 0.00000000 0.00000000 -2.52814967 0.00000000
|
|
39 -3.28193810 0.00000000 0.00000000 -0.73732859 0.00000000
|
|
40 0.00000000 1.23089465 0.04081992 0.00000000 0.60418397
|
|
41 0.00000000 0.04081992 -1.23089465 0.00000000 0.32384709
|
|
42 -0.25171052 0.00000000 0.00000000 -0.90098891 0.00000000
|
|
43 0.00000000 -8.16614965 -0.27081241 0.00000000 -3.72051453
|
|
44 0.00000000 -0.27081241 8.16614965 0.00000000 -1.99422339
|
|
45 1.51450668 0.00000000 -0.00000000 5.34941524 0.00000000
|
|
46 0.00000000 0.59756379 0.01981689 0.00000000 0.31962880
|
|
47 0.00000000 0.01981689 -0.59756379 0.00000000 0.17132341
|
|
48 -0.15192625 0.00000000 0.00000000 -0.45325900 0.00000000
|
|
49 -0.52052730 0.00000000 0.00000000 -0.16226824 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00885327 0.00029360 0.00000000 -0.00273836
|
|
52 -0.52052730 0.00000000 0.00000000 -0.16226824 0.00000000
|
|
53 0.00000000 0.00029360 -0.00885327 0.00000000 -0.00146778
|
|
54 -0.48852900 0.00000000 0.00000000 -0.16440707 0.00000000
|
|
55 0.83355950 0.00000000 0.00000000 0.26724081 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.00667029 -0.00022121 0.00000000 -0.00255844
|
|
58 0.83355950 0.00000000 0.00000000 0.26724081 0.00000000
|
|
59 0.00000000 -0.00022121 0.00667029 0.00000000 -0.00137134
|
|
60 0.80160633 0.00000000 0.00000000 0.21639000 0.00000000
|
|
61 0.00000000 4.57510585 0.15172333 0.00000000 2.06505606
|
|
62 0.00000000 0.06785274 -2.04604953 0.00000000 0.49501419
|
|
63 -0.39826058 0.00000000 0.00000000 -1.31589650 0.00000000
|
|
64 0.00000000 2.04604953 0.06785274 0.00000000 0.92352115
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 2.06167849 0.06837104 0.00000000 0.89545884
|
|
67 0.00000000 0.15172333 -4.57510585 -0.00000000 1.10688537
|
|
68 -0.39826058 0.00000000 0.00000000 -1.31589650 0.00000000
|
|
69 0.00000000 0.06837104 -2.06167849 0.00000000 0.47997258
|
|
70 -0.80148383 0.00000000 0.00000000 -2.89593053 0.00000000
|
|
66 67 68 69 70
|
|
1 0.00000000 -2.71604771 -6.44150290 53.75001898 56.07555624
|
|
2 0.00000000 0.71186473 1.34465333 -26.07935731 -27.03490998
|
|
3 0.00000000 1.82250309 4.07721776 -31.53747085 -33.39207775
|
|
4 0.00000000 0.72172991 1.81159299 -15.21128930 -15.59249395
|
|
5 -0.61229662 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 1.14232863 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 -0.68482219 1.53688147 0.01673747 -0.32313471
|
|
8 3.96934481 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 -7.40539154 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 4.91802541 -8.08489508 0.03436115 1.09968234
|
|
11 -0.30973931 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.57786385 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 -0.39168059 0.57825576 0.03590440 -0.17550878
|
|
14 0.00000000 0.05002078 0.22819601 3.48690346 3.60608354
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00151333 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.05002078 0.22819601 3.48690346 3.60608354
|
|
18 -0.00282334 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.14247136 0.62023919 3.50184608 3.55216304
|
|
20 0.00000000 -0.13917828 -0.27411006 3.25013413 3.42021967
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.00305993 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 -0.13917828 -0.27411006 3.25013413 3.42021967
|
|
24 0.00570875 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 -0.32523134 -0.74446213 3.17638185 3.55890987
|
|
26 -2.21708571 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 1.84980811 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 -1.17807154 2.05993080 0.02489451 -0.28684776
|
|
29 -0.99151087 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.98445558 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 4.13629669 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 -1.17807154 2.05993080 0.02489451 -0.28684776
|
|
34 1.83664543 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 -2.89162711 4.16620045 -0.08506267 -0.42742629
|
|
36 0.00000000 1.49732415 5.58144110 54.89337437 -54.95334122
|
|
37 0.00000000 -0.18466917 -1.22425014 -26.63109868 26.49115393
|
|
38 0.00000000 -0.88779828 -3.55787691 -32.21911234 32.73415130
|
|
39 0.00000000 -0.42797308 -1.57025614 -15.52902141 15.27486048
|
|
40 0.32384709 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 -0.60418397 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 1.30648195 0.99233129 -0.00989818 -0.32354918
|
|
43 -1.99422339 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 3.72051453 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 -7.88216086 -4.54123928 -0.05756639 1.09929869
|
|
46 0.17132341 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 -0.31962880 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.58574250 0.30982814 -0.03223732 -0.17627267
|
|
49 0.00000000 -0.09470007 -0.16680040 3.56059510 -3.53352125
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.00146778 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 -0.09470007 -0.16680040 3.56059510 -3.53352125
|
|
53 0.00273836 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 -0.23075391 -0.54737466 3.57438773 -3.47932326
|
|
55 0.00000000 0.05473290 0.22243965 3.32019371 -3.35268711
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -0.00137134 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.05473290 0.22243965 3.32019371 -3.35268711
|
|
59 0.00255844 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.14639620 0.72239847 3.24938370 -3.49284520
|
|
61 1.10688537 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 -0.92352115 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 1.94934566 1.19577675 -0.01883371 -0.28739483
|
|
64 0.49501419 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.47997258 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 -2.06505606 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 1.94934566 1.19577675 -0.01883371 -0.28739483
|
|
69 -0.89545884 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 4.34761350 2.15635130 0.09406849 -0.42589053
|
|
|
|
---------------------------------------
|
|
UHF spin-up orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49787772
|
|
2 0.06076290
|
|
3 0.24734898
|
|
4 0.34754831
|
|
5 0.43748692
|
|
6 0.43748692
|
|
7 0.53340274
|
|
8 0.61601147
|
|
9 0.61601147
|
|
10 0.87373515
|
|
11 1.15163585
|
|
12 1.24419940
|
|
13 1.62154928
|
|
14 1.82608122
|
|
15 1.82608122
|
|
16 1.89312308
|
|
17 1.89312308
|
|
18 1.91606771
|
|
19 1.91606771
|
|
20 2.03589538
|
|
21 2.03589538
|
|
22 2.09243971
|
|
23 2.14407092
|
|
24 2.14407092
|
|
25 2.26592973
|
|
26 2.44365098
|
|
27 2.44365098
|
|
28 3.03898725
|
|
29 3.07930179
|
|
30 3.20091050
|
|
31 4.39702449
|
|
32 4.39702449
|
|
33 4.48357991
|
|
34 4.53200065
|
|
35 4.53200065
|
|
36 4.73611397
|
|
37 5.94015202
|
|
38 5.94015202
|
|
39 6.00511299
|
|
40 6.03303664
|
|
41 6.03303664
|
|
42 6.05370735
|
|
43 6.05370735
|
|
44 6.08387876
|
|
45 6.08387876
|
|
46 6.10490088
|
|
47 6.10490088
|
|
48 6.25830406
|
|
49 6.25830406
|
|
50 6.70305759
|
|
51 8.04893705
|
|
52 8.04893705
|
|
53 8.10249378
|
|
54 8.10249378
|
|
55 8.18011165
|
|
56 8.18011165
|
|
57 8.28314837
|
|
58 8.40645554
|
|
59 8.40645554
|
|
60 9.06445151
|
|
61 9.63252128
|
|
62 9.69632360
|
|
63 9.69632360
|
|
64 9.70410543
|
|
65 9.75992634
|
|
66 9.75992634
|
|
67 9.92744876
|
|
68 9.97750967
|
|
69 22.58887939
|
|
70 23.12351722
|
|
|
|
---------------------------------------
|
|
UHF spin-down orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.49787772
|
|
2 0.06076290
|
|
3 0.24734898
|
|
4 0.34754831
|
|
5 0.43748692
|
|
6 0.43748692
|
|
7 0.53340274
|
|
8 0.61601147
|
|
9 0.61601147
|
|
10 0.87373515
|
|
11 1.15163585
|
|
12 1.24419940
|
|
13 1.62154928
|
|
14 1.82608122
|
|
15 1.82608122
|
|
16 1.89312308
|
|
17 1.89312308
|
|
18 1.91606771
|
|
19 1.91606771
|
|
20 2.03589538
|
|
21 2.03589538
|
|
22 2.09243971
|
|
23 2.14407092
|
|
24 2.14407092
|
|
25 2.26592973
|
|
26 2.44365098
|
|
27 2.44365098
|
|
28 3.03898725
|
|
29 3.07930179
|
|
30 3.20091050
|
|
31 4.39702449
|
|
32 4.39702449
|
|
33 4.48357991
|
|
34 4.53200065
|
|
35 4.53200065
|
|
36 4.73611397
|
|
37 5.94015202
|
|
38 5.94015202
|
|
39 6.00511299
|
|
40 6.03303664
|
|
41 6.03303664
|
|
42 6.05370735
|
|
43 6.05370735
|
|
44 6.08387876
|
|
45 6.08387876
|
|
46 6.10490088
|
|
47 6.10490088
|
|
48 6.25830406
|
|
49 6.25830406
|
|
50 6.70305759
|
|
51 8.04893705
|
|
52 8.04893705
|
|
53 8.10249378
|
|
54 8.10249378
|
|
55 8.18011165
|
|
56 8.18011165
|
|
57 8.28314837
|
|
58 8.40645554
|
|
59 8.40645554
|
|
60 9.06445151
|
|
61 9.63252128
|
|
62 9.69632360
|
|
63 9.69632360
|
|
64 9.70410543
|
|
65 9.75992634
|
|
66 9.75992634
|
|
67 9.92744876
|
|
68 9.97750967
|
|
69 22.58887939
|
|
70 23.12351722
|
|
|
|
Total CPU time for UHF = 2.359 seconds
|
|
|
|
|
|
AO to MO transformation... Please be patient
|
|
|
|
Total CPU time for AO to MO transformation = 15.762 seconds
|
|
|
|
|
|
************************************************
|
|
| Configuration Interaction Singles |
|
|
************************************************
|
|
|
|
|
|
-------------------------------------------------------------
|
|
UCIS calculation: spin-conserved manifold
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.289982 | 7.890814 |
|
|
| 2 | 0.327406 | 8.909173 |
|
|
| 3 | 0.454931 | 12.379306 |
|
|
| 4 | 0.479504 | 13.047979 |
|
|
| 5 | 0.557472 | 15.169580 |
|
|
| 6 | 0.557472 | 15.169580 |
|
|
| 7 | 0.607830 | 16.539895 |
|
|
| 8 | 0.607830 | 16.539895 |
|
|
| 9 | 0.616222 | 16.768244 |
|
|
| 10 | 0.622527 | 16.939834 |
|
|
| 11 | 0.685908 | 18.664495 |
|
|
| 12 | 0.720647 | 19.609817 |
|
|
| 13 | 0.828219 | 22.536998 |
|
|
| 14 | 0.828219 | 22.536998 |
|
|
| 15 | 0.842969 | 22.938368 |
|
|
| 16 | 0.842969 | 22.938368 |
|
|
| 17 | 1.066527 | 29.021673 |
|
|
| 18 | 1.081321 | 29.424244 |
|
|
| 19 | 1.254230 | 34.129344 |
|
|
| 20 | 1.263289 | 34.375847 |
|
|
-------------------------------------------------------------
|
|
|
|
---------------------------------------------------------------
|
|
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 -1.258379 1.583517 0.345635
|
|
3 0.000000 -0.000000 -0.380439 0.144734 0.043896
|
|
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 0.951184 0.947733 -0.000000 1.802947 0.730590
|
|
8 0.947733 -0.951184 -0.000000 1.802947 0.730590
|
|
9 -0.000000 -0.000000 0.000000 0.000000 0.000000
|
|
10 0.000000 0.000000 0.307542 0.094582 0.039253
|
|
11 0.000000 0.000000 -0.657045 0.431708 0.197408
|
|
12 -0.000000 -0.000000 0.000000 0.000000 0.000000
|
|
13 -0.100209 -0.081216 0.000000 0.016638 0.009186
|
|
14 -0.081216 0.100209 0.000000 0.016638 0.009186
|
|
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 0.170811 0.029176 0.021033
|
|
19 0.000000 0.000000 -0.059444 0.003534 0.002955
|
|
20 -0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
---------------------------------------------------------------
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 1: 7.890814 eV f = 0.0000 <S**2> = 0.3559
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.686937
|
|
1A -> 4A = 0.145447
|
|
1B -> 2B = 0.686937
|
|
1B -> 4B = -0.145447
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 2: 8.909173 eV f = 0.3456 <S**2> = 0.1394
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.687185
|
|
1A -> 4A = -0.101660
|
|
1B -> 2B = 0.687185
|
|
1B -> 4B = -0.101660
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 3: 12.379306 eV f = 0.0439 <S**2> = 1.1940
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.111934
|
|
1A -> 3A = 0.691663
|
|
1B -> 2B = -0.111934
|
|
1B -> 3B = -0.691663
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 4: 13.047979 eV f = 0.0000 <S**2> = 0.9672
|
|
-------------------------------------------------------------
|
|
1A -> 3A = -0.696529
|
|
1B -> 3B = -0.696529
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 5: 15.169580 eV f = 0.0000 <S**2> = 1.2809
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.635429
|
|
1A -> 6A = 0.271898
|
|
1A -> 8A = -0.102046
|
|
1A -> 9A = 0.102615
|
|
1B -> 5B = 0.671277
|
|
1B -> 6B = -0.164578
|
|
1B -> 8B = 0.144718
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 6: 15.169580 eV f = 0.0000 <S**2> = 1.2809
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.271898
|
|
1A -> 6A = -0.635429
|
|
1A -> 8A = -0.102615
|
|
1A -> 9A = -0.102046
|
|
1B -> 5B = 0.164578
|
|
1B -> 6B = 0.671277
|
|
1B -> 9B = 0.144718
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 7: 16.539895 eV f = 0.7306 <S**2> = 0.7570
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.654670
|
|
1A -> 6A = -0.185428
|
|
1A -> 8A = 0.150372
|
|
1A -> 9A = -0.116673
|
|
1B -> 5B = 0.676151
|
|
1B -> 8B = 0.188749
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 8: 16.539895 eV f = 0.7306 <S**2> = 0.7570
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.185428
|
|
1A -> 6A = 0.654670
|
|
1A -> 8A = 0.116673
|
|
1A -> 9A = 0.150372
|
|
1B -> 6B = 0.676151
|
|
1B -> 9B = 0.188749
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 9: 16.768244 eV f = 0.0000 <S**2> = 0.9937
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.144866
|
|
1A -> 4A = -0.681999
|
|
1B -> 2B = 0.144866
|
|
1B -> 4B = 0.681999
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 10: 16.939834 eV f = 0.0393 <S**2> = 0.8150
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.114252
|
|
1A -> 4A = 0.668173
|
|
1A -> 7A = -0.186839
|
|
1B -> 2B = 0.114252
|
|
1B -> 4B = 0.668173
|
|
1B -> 7B = -0.186839
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 11: 18.664495 eV f = 0.1974 <S**2> = 1.2105
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.201472
|
|
1A -> 7A = 0.660578
|
|
1A -> 10A = 0.117492
|
|
1B -> 4B = 0.201472
|
|
1B -> 7B = 0.660578
|
|
1B -> 10B = 0.117492
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 12: 19.609817 eV f = 0.0000 <S**2> = 0.6436
|
|
-------------------------------------------------------------
|
|
1A -> 7A = 0.689030
|
|
1A -> 10A = 0.128323
|
|
1B -> 7B = -0.689030
|
|
1B -> 10B = -0.128323
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 13: 22.536998 eV f = 0.0092 <S**2> = 1.2409
|
|
-------------------------------------------------------------
|
|
1A -> 5A = -0.188332
|
|
1A -> 8A = -0.576860
|
|
1A -> 9A = 0.359562
|
|
1B -> 5B = 0.191195
|
|
1B -> 8B = -0.661639
|
|
1B -> 9B = -0.155841
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 14: 22.536998 eV f = 0.0092 <S**2> = 1.2409
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.188332
|
|
1A -> 8A = -0.359562
|
|
1A -> 9A = -0.576860
|
|
1B -> 6B = 0.191195
|
|
1B -> 8B = 0.155841
|
|
1B -> 9B = -0.661639
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 15: 22.938368 eV f = 0.0000 <S**2> = 0.7206
|
|
-------------------------------------------------------------
|
|
1A -> 5A = 0.128577
|
|
1A -> 8A = 0.448138
|
|
1A -> 9A = -0.526375
|
|
1B -> 5B = 0.137819
|
|
1B -> 8B = -0.689264
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 16: 22.938368 eV f = 0.0000 <S**2> = 0.7206
|
|
-------------------------------------------------------------
|
|
1A -> 6A = -0.128577
|
|
1A -> 8A = 0.526375
|
|
1A -> 9A = 0.448138
|
|
1B -> 6B = 0.137819
|
|
1B -> 9B = -0.689264
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 17: 29.021673 eV f = 0.0000 <S**2> = 1.3252
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.121315
|
|
1A -> 10A = 0.686728
|
|
1B -> 7B = 0.121315
|
|
1B -> 10B = -0.686728
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 18: 29.424244 eV f = 0.0210 <S**2> = 0.6759
|
|
-------------------------------------------------------------
|
|
1A -> 7A = 0.109998
|
|
1A -> 10A = -0.688884
|
|
1B -> 7B = 0.109998
|
|
1B -> 10B = -0.688884
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 19: 34.129344 eV f = 0.0030 <S**2> = 1.0901
|
|
-------------------------------------------------------------
|
|
1A -> 11A = -0.693156
|
|
1B -> 11B = -0.693156
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 20: 34.375847 eV f = 0.0000 <S**2> = 0.9892
|
|
-------------------------------------------------------------
|
|
1A -> 11A = 0.683356
|
|
1A -> 12A = -0.149104
|
|
1B -> 11B = -0.683356
|
|
1B -> 12B = 0.149104
|
|
|
|
Thomas-Reiche-Kuhn sum rule = 2.129733
|
|
|
|
Total CPU time for CIS = 0.008 seconds
|
|
|
|
Total CPU time for QuAcK = 19.341 seconds
|
|
|