2584 lines
185 KiB
Plaintext
2584 lines
185 KiB
Plaintext
210 significant shell pairs computed in 0.000099 seconds
|
|
0
|
|
Computed Electron repulsion integrals Integrals in parallel in 3.719550 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 1.3228082878
|
|
|
|
------------------
|
|
Nuclear repulsion energy = 0.7559674438
|
|
------------------
|
|
|
|
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 = 1.228 seconds
|
|
|
|
|
|
Lowdin orthogonalization
|
|
|
|
|
|
************************************************
|
|
* Unrestricted Hartree-Fock calculation *
|
|
************************************************
|
|
|
|
|
|
----------------------------------------------------------
|
|
| # | E(UHF) | Ex(UHF) | Conv |
|
|
----------------------------------------------------------
|
|
| 1 | -1.0656139944 | -0.7989802601 | 1.000000 |
|
|
| 2 | -1.1279274911 | -0.6966225610 | 0.029422 |
|
|
| 3 | -1.1312114660 | -0.6783170483 | 0.012815 |
|
|
| 4 | -1.1319892033 | -0.6746678808 | 0.008159 |
|
|
| 5 | -1.1323273566 | -0.6738131697 | 0.005683 |
|
|
| 6 | -1.1324863466 | -0.6735717480 | 0.003936 |
|
|
| 7 | -1.1325618099 | -0.6734905518 | 0.002720 |
|
|
| 8 | -1.1325976824 | -0.6734592837 | 0.001877 |
|
|
| 9 | -1.1326147409 | -0.6734461029 | 0.001295 |
|
|
| 10 | -1.1326228538 | -0.6734402363 | 0.000893 |
|
|
| 11 | -1.1326267124 | -0.6734375439 | 0.000616 |
|
|
| 12 | -1.1326285477 | -0.6734362875 | 0.000425 |
|
|
| 13 | -1.1326294206 | -0.6734356959 | 0.000293 |
|
|
| 14 | -1.1326298358 | -0.6734354160 | 0.000202 |
|
|
| 15 | -1.1326300332 | -0.6734352833 | 0.000139 |
|
|
| 16 | -1.1326301272 | -0.6734352202 | 0.000096 |
|
|
| 17 | -1.1326301718 | -0.6734351903 | 0.000066 |
|
|
| 18 | -1.1326301931 | -0.6734351760 | 0.000046 |
|
|
| 19 | -1.1326302032 | -0.6734351692 | 0.000032 |
|
|
| 20 | -1.1326302080 | -0.6734351660 | 0.000022 |
|
|
| 21 | -1.1326302103 | -0.6734351645 | 0.000015 |
|
|
| 22 | -1.1326302114 | -0.6734351638 | 0.000010 |
|
|
| 23 | -1.1326302119 | -0.6734351634 | 0.000007 |
|
|
| 24 | -1.1326302121 | -0.6734351632 | 0.000005 |
|
|
| 25 | -1.1326302123 | -0.6734351632 | 0.000003 |
|
|
| 26 | -1.1326302123 | -0.6734351631 | 0.000002 |
|
|
| 27 | -1.1326302123 | -0.6734351631 | 0.000002 |
|
|
| 28 | -1.1326302124 | -0.6734351631 | 0.000001 |
|
|
| 29 | -1.1326302124 | -0.6734351631 | 0.000001 |
|
|
| 30 | -1.1326302124 | -0.6734351631 | 0.000001 |
|
|
| 31 | -1.1326302124 | -0.6734351631 | 0.000000 |
|
|
| 32 | -1.1326302124 | -0.6734351631 | 0.000000 |
|
|
| 33 | -1.1326302124 | -0.6734351631 | 0.000000 |
|
|
| 34 | -1.1326302124 | -0.6734351631 | 0.000000 |
|
|
| 35 | -1.1326302124 | -0.6734351631 | 0.000000 |
|
|
----------------------------------------------------------
|
|
|
|
-------------------------------------------------
|
|
Summary
|
|
-------------------------------------------------
|
|
One-electron energy: -2.5620328193 au
|
|
One-electron a energy: -1.2810164096 au
|
|
One-electron b energy: -1.2810164096 au
|
|
Kinetic energy: 1.1697929966 au
|
|
Kinetic a energy: 0.5848964983 au
|
|
Kinetic b energy: 0.5848964983 au
|
|
Potential energy: -3.7318258158 au
|
|
Potential a energy: -1.8659129079 au
|
|
Potential b energy: -1.8659129079 au
|
|
-------------------------------------------------
|
|
Two-electron energy: 0.6734351631 au
|
|
Two-electron aa energy: 0.0000000000 au
|
|
Two-electron ab energy: 0.6734351631 au
|
|
Two-electron bb energy: -0.0000000000 au
|
|
Hartree energy: 1.3468703262 au
|
|
Hartree aa energy: 0.3367175815 au
|
|
Hartree ab energy: 0.6734351631 au
|
|
Hartree bb energy: 0.3367175815 au
|
|
Exchange energy: -0.6734351631 au
|
|
Exchange a energy: -0.3367175815 au
|
|
Exchange b energy: -0.3367175815 au
|
|
-------------------------------------------------
|
|
Electronic energy: -1.8885976562 au
|
|
Nuclear repulsion: 0.7559674438 au
|
|
UHF energy: -1.1326302124 au
|
|
-------------------------------------------------
|
|
UHF HOMO a energy: -16.533128 eV
|
|
UHF LUMO a energy: 4.032662 eV
|
|
UHF HOMOa-LUMOa gap: 20.565790 eV
|
|
-------------------------------------------------
|
|
UHF HOMO b energy: -16.533128 eV
|
|
UHF LUMO b energy: 4.032662 eV
|
|
UHF HOMOb-LUMOb gap : 20.565790 eV
|
|
-------------------------------------------------
|
|
S (exact) : 1.000000
|
|
S : 1.000000
|
|
<S**2> (exact) : 0.000000
|
|
<S**2> : 0.000000
|
|
-------------------------------------------------
|
|
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 0.86327484 0.37233490 0.00802623 0.00000000 0.00000000
|
|
2 -0.04106335 0.69778715 -0.14262818 0.00000000 0.00000000
|
|
3 -0.16942385 -0.71167365 1.50133408 0.00000000 0.00000000
|
|
4 -0.16603621 2.99891061 -1.10905979 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.07727578 0.46696384
|
|
6 0.00000000 0.00000000 0.00000000 -0.46696384 0.07727578
|
|
7 0.00573888 -0.06970244 -0.04551177 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 -0.27582746 -1.66677635
|
|
9 0.00000000 0.00000000 0.00000000 1.66677635 -0.27582746
|
|
10 0.01217163 0.54939319 0.22448410 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.13488985 0.81511541
|
|
12 0.00000000 0.00000000 0.00000000 -0.81511541 0.13488985
|
|
13 0.01595108 0.18777981 -0.09594275 0.00000000 0.00000000
|
|
14 0.00092387 0.00393249 -0.01278552 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.00018260 -0.00110344
|
|
17 0.00092387 0.00393249 -0.01278552 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00110344 -0.00018260
|
|
19 0.00294645 0.02890565 -0.02146622 0.00000000 0.00000000
|
|
20 0.00022702 0.13387671 -0.18803347 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00105400 0.00636914
|
|
23 0.00022702 0.13387671 -0.18803347 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.00636914 0.00105400
|
|
25 0.00112784 0.31465620 -0.22413902 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.11340691 0.68529784
|
|
27 0.00000000 0.00000000 0.00000000 -0.30647451 0.05071711
|
|
28 -0.00012836 -0.04643768 -0.03362137 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.05071711 0.30647451
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.05032264 0.30409075
|
|
32 0.00000000 0.00000000 0.00000000 -0.68529784 0.11340691
|
|
33 -0.00012836 -0.04643768 -0.03362137 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -0.30409075 0.05032264
|
|
35 -0.00026859 -0.07976558 -0.11676989 0.00000000 0.00000000
|
|
36 0.86327537 -0.37233458 0.00802620 0.00000000 0.00000000
|
|
37 -0.04106325 -0.69778714 -0.14262870 0.00000000 0.00000000
|
|
38 -0.16942357 0.71167296 1.50133476 0.00000000 0.00000000
|
|
39 -0.16603607 -2.99891014 -1.10906183 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.07727580 0.46696391
|
|
41 0.00000000 0.00000000 0.00000000 -0.46696391 0.07727580
|
|
42 -0.00573887 -0.06970248 0.04551172 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 -0.27582749 -1.66677657
|
|
44 0.00000000 0.00000000 0.00000000 1.66677657 -0.27582749
|
|
45 -0.01217166 0.54939332 -0.22448368 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.13488990 0.81511574
|
|
47 0.00000000 0.00000000 0.00000000 -0.81511574 0.13488990
|
|
48 -0.01595108 0.18777967 0.09594292 0.00000000 0.00000000
|
|
49 0.00092387 -0.00393248 -0.01278552 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00018260 0.00110343
|
|
52 0.00092387 -0.00393248 -0.01278552 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.00110343 0.00018260
|
|
54 0.00294645 -0.02890564 -0.02146625 0.00000000 0.00000000
|
|
55 0.00022702 -0.13387664 -0.18803358 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.00105401 -0.00636917
|
|
58 0.00022702 -0.13387664 -0.18803358 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.00636917 -0.00105401
|
|
60 0.00112785 -0.31465610 -0.22413927 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.11340693 0.68529794
|
|
62 0.00000000 0.00000000 0.00000000 -0.30647455 0.05071712
|
|
63 0.00012837 -0.04643771 0.03362133 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.05071712 0.30647455
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.05032264 0.30409080
|
|
67 0.00000000 0.00000000 0.00000000 -0.68529794 0.11340693
|
|
68 0.00012837 -0.04643771 0.03362133 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -0.30409080 0.05032264
|
|
70 0.00026860 -0.07976565 0.11676983 0.00000000 0.00000000
|
|
6 7 8 9 10
|
|
1 0.04267692 0.19752414 0.00000000 0.00000000 -1.74093893
|
|
2 -2.05112196 -0.13451536 0.00000000 0.00000000 -0.81678957
|
|
3 1.93711645 -1.30903078 0.00000000 0.00000000 4.05048597
|
|
4 -3.28314106 0.47679718 0.00000000 0.00000000 -0.27662711
|
|
5 0.00000000 0.00000000 -0.02256295 0.63930252 0.00000000
|
|
6 0.00000000 0.00000000 0.63930252 0.02256295 0.00000000
|
|
7 0.14070537 0.50408364 0.00000000 0.00000000 0.07239856
|
|
8 0.00000000 0.00000000 0.07689199 -2.17867133 0.00000000
|
|
9 0.00000000 0.00000000 -2.17867133 -0.07689199 0.00000000
|
|
10 -1.44534352 -1.97098417 0.00000000 0.00000000 -0.23813219
|
|
11 0.00000000 0.00000000 -0.08180261 2.31780973 0.00000000
|
|
12 0.00000000 0.00000000 2.31780973 0.08180261 0.00000000
|
|
13 -0.89683158 1.82705808 0.00000000 0.00000000 0.52976439
|
|
14 -0.00740617 0.01349229 0.00000000 0.00000000 -0.02855371
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00060314 0.01708953 0.00000000
|
|
17 -0.00740617 0.01349229 0.00000000 0.00000000 -0.02855371
|
|
18 0.00000000 0.00000000 0.01708953 0.00060314 0.00000000
|
|
19 -0.08069425 0.00984926 0.00000000 0.00000000 -0.06791878
|
|
20 -0.38136368 0.03123018 0.00000000 0.00000000 -0.70687666
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.00905635 0.25660413 0.00000000
|
|
23 -0.38136368 0.03123018 0.00000000 0.00000000 -0.70687666
|
|
24 0.00000000 0.00000000 0.25660413 0.00905635 0.00000000
|
|
25 -0.90433985 0.36156833 0.00000000 0.00000000 -0.67297234
|
|
26 0.00000000 0.00000000 -0.03165783 0.89699855 0.00000000
|
|
27 0.00000000 0.00000000 0.40114995 0.01415781 0.00000000
|
|
28 0.10590810 0.32994417 0.00000000 0.00000000 0.04786597
|
|
29 0.00000000 0.00000000 -0.01415781 0.40114995 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.01657931 0.46976113 0.00000000
|
|
32 0.00000000 0.00000000 0.89699855 0.03165783 0.00000000
|
|
33 0.10590810 0.32994417 0.00000000 0.00000000 0.04786597
|
|
34 0.00000000 0.00000000 0.46976113 0.01657931 0.00000000
|
|
35 0.16628949 0.86364449 0.00000000 0.00000000 0.01753505
|
|
36 -0.04267676 0.19752420 0.00000000 0.00000000 -1.74093944
|
|
37 2.05112178 -0.13451536 0.00000000 0.00000000 -0.81679175
|
|
38 -1.93711582 -1.30902928 0.00000000 0.00000000 4.05048374
|
|
39 3.28314077 0.47679694 0.00000000 0.00000000 -0.27662790
|
|
40 0.00000000 0.00000000 0.02256294 -0.63930239 0.00000000
|
|
41 0.00000000 0.00000000 -0.63930239 -0.02256294 0.00000000
|
|
42 0.14070534 -0.50408365 0.00000000 0.00000000 -0.07239869
|
|
43 0.00000000 0.00000000 -0.07689197 2.17867086 0.00000000
|
|
44 0.00000000 0.00000000 2.17867086 0.07689197 0.00000000
|
|
45 -1.44534346 1.97098417 0.00000000 0.00000000 0.23813363
|
|
46 0.00000000 0.00000000 0.08180260 -2.31780955 0.00000000
|
|
47 0.00000000 0.00000000 -2.31780955 -0.08180260 0.00000000
|
|
48 -0.89683179 -1.82705853 0.00000000 0.00000000 -0.52976252
|
|
49 0.00740617 0.01349228 0.00000000 0.00000000 -0.02855371
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00060314 0.01708953 0.00000000
|
|
52 0.00740617 0.01349228 0.00000000 0.00000000 -0.02855371
|
|
53 0.00000000 0.00000000 0.01708953 0.00060314 0.00000000
|
|
54 0.08069424 0.00984925 0.00000000 0.00000000 -0.06791885
|
|
55 0.38136357 0.03123014 0.00000000 0.00000000 -0.70687694
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.00905635 0.25660412 0.00000000
|
|
58 0.38136357 0.03123014 0.00000000 0.00000000 -0.70687694
|
|
59 0.00000000 0.00000000 0.25660412 0.00905635 0.00000000
|
|
60 0.90433975 0.36156831 0.00000000 0.00000000 -0.67297325
|
|
61 0.00000000 0.00000000 0.03165782 -0.89699836 0.00000000
|
|
62 0.00000000 0.00000000 -0.40114986 -0.01415781 0.00000000
|
|
63 0.10590809 -0.32994417 0.00000000 0.00000000 -0.04786607
|
|
64 0.00000000 0.00000000 0.01415781 -0.40114986 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.01657931 -0.46976105 0.00000000
|
|
67 0.00000000 0.00000000 -0.89699836 -0.03165782 0.00000000
|
|
68 0.10590809 -0.32994417 0.00000000 0.00000000 -0.04786607
|
|
69 0.00000000 0.00000000 -0.46976105 -0.01657931 0.00000000
|
|
70 0.16628947 -0.86364450 0.00000000 0.00000000 -0.01753518
|
|
11 12 13 14 15
|
|
1 -0.01624009 -1.90815067 0.00000000 0.00000000 0.00000000
|
|
2 5.66564707 -5.01345292 0.00000000 0.00000000 0.00000000
|
|
3 29.11837830 6.52999718 0.00000000 0.00000000 0.00000000
|
|
4 0.06101027 -1.96164523 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00653544 -1.39666119 0.00000000
|
|
6 0.00000000 0.00000000 -1.39666119 -0.00653544 0.00000000
|
|
7 -0.24760760 0.35698230 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.02468396 5.27510494 0.00000000
|
|
9 0.00000000 0.00000000 5.27510494 0.02468396 0.00000000
|
|
10 4.00301058 -3.21446752 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00441457 -0.94341978 0.00000000
|
|
12 0.00000000 0.00000000 -0.94341978 -0.00441457 0.00000000
|
|
13 12.02867658 -0.36725430 0.00000000 0.00000000 0.00000000
|
|
14 -0.01929529 -0.01593509 0.00000000 0.00000000 0.08277363
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00011755
|
|
16 0.00000000 0.00000000 -0.00003539 0.00756367 0.00000000
|
|
17 -0.01929529 -0.01593509 0.00000000 0.00000000 -0.08277363
|
|
18 0.00000000 0.00000000 0.00756367 0.00003539 0.00000000
|
|
19 0.19794163 -0.16516333 0.00000000 0.00000000 0.00000000
|
|
20 0.10220817 -1.02953408 0.00000000 0.00000000 -0.53452502
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00075910
|
|
22 0.00000000 0.00000000 0.00005086 -0.01086815 0.00000000
|
|
23 0.10220817 -1.02953408 0.00000000 0.00000000 0.53452502
|
|
24 0.00000000 0.00000000 -0.01086815 -0.00005086 0.00000000
|
|
25 2.36842907 -2.15334110 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00979881 -2.09406228 0.00000000
|
|
27 0.00000000 0.00000000 -0.93649312 -0.00438216 0.00000000
|
|
28 -0.25032806 0.23658127 0.00000000 0.00000000 0.01900492
|
|
29 0.00000000 0.00000000 0.00438216 -0.93649312 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00002699
|
|
31 0.00000000 0.00000000 0.00436133 -0.93204060 0.00000000
|
|
32 0.00000000 0.00000000 -2.09406228 -0.00979881 0.00000000
|
|
33 -0.25032806 0.23658127 0.00000000 0.00000000 -0.01900492
|
|
34 0.00000000 0.00000000 -0.93204060 -0.00436133 0.00000000
|
|
35 -0.21368708 0.39537521 0.00000000 0.00000000 0.00000000
|
|
36 0.01624038 1.90815006 0.00000000 0.00000000 0.00000000
|
|
37 -5.66564699 5.01345271 0.00000000 0.00000000 0.00000000
|
|
38 -29.11837896 -6.52999608 0.00000000 0.00000000 0.00000000
|
|
39 -0.06101022 1.96164524 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00653544 -1.39666136 0.00000000
|
|
41 0.00000000 0.00000000 -1.39666136 -0.00653544 0.00000000
|
|
42 -0.24760761 0.35698225 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.02468396 5.27510558 0.00000000
|
|
44 0.00000000 0.00000000 5.27510558 0.02468396 0.00000000
|
|
45 4.00301065 -3.21446728 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00441457 -0.94342012 0.00000000
|
|
47 0.00000000 0.00000000 -0.94342012 -0.00441457 0.00000000
|
|
48 12.02867654 -0.36725451 0.00000000 0.00000000 0.00000000
|
|
49 0.01929530 0.01593508 0.00000000 0.00000000 0.08277364
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00011755
|
|
51 0.00000000 0.00000000 0.00003539 -0.00756367 0.00000000
|
|
52 0.01929530 0.01593508 0.00000000 0.00000000 -0.08277364
|
|
53 0.00000000 0.00000000 -0.00756367 -0.00003539 0.00000000
|
|
54 -0.19794162 0.16516331 0.00000000 0.00000000 0.00000000
|
|
55 -0.10220807 1.02953386 0.00000000 0.00000000 -0.53452509
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00075910
|
|
57 0.00000000 0.00000000 -0.00005086 0.01086826 0.00000000
|
|
58 -0.10220807 1.02953386 0.00000000 0.00000000 0.53452509
|
|
59 0.00000000 0.00000000 0.01086826 0.00005086 0.00000000
|
|
60 -2.36842893 2.15334093 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00979881 -2.09406253 0.00000000
|
|
62 0.00000000 0.00000000 -0.93649323 -0.00438216 0.00000000
|
|
63 -0.25032807 0.23658123 0.00000000 0.00000000 -0.01900492
|
|
64 0.00000000 0.00000000 0.00438216 -0.93649323 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00002699
|
|
66 0.00000000 0.00000000 0.00436133 -0.93204074 0.00000000
|
|
67 0.00000000 0.00000000 -2.09406253 -0.00979881 0.00000000
|
|
68 -0.25032807 0.23658123 0.00000000 0.00000000 0.01900492
|
|
69 0.00000000 0.00000000 -0.93204074 -0.00436133 0.00000000
|
|
70 -0.21368712 0.39537514 0.00000000 0.00000000 0.00000000
|
|
16 17 18 19 20
|
|
1 0.00000000 0.04985525 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 -0.54297374 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 -1.50318266 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 0.38283704 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 -0.12139841 1.29312757 0.25669383
|
|
6 0.00000000 0.00000000 1.29312757 0.12139841 0.06593879
|
|
7 0.00000000 0.99273275 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.38853919 -4.13869281 -1.20672620
|
|
9 0.00000000 0.00000000 -4.13869281 -0.38853919 -0.30998044
|
|
10 0.00000000 -4.26211619 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 -0.21565170 2.29710715 0.20678416
|
|
12 0.00000000 0.00000000 2.29710715 0.21565170 0.05311813
|
|
13 0.00000000 1.80162813 0.00000000 0.00000000 0.00000000
|
|
14 -0.00010180 0.04165619 0.00000000 0.00000000 0.00000000
|
|
15 0.09557876 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00567622 0.06046267 -0.11974459
|
|
17 0.00010180 0.04165619 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.06046267 0.00567622 -0.03075965
|
|
19 0.00000000 0.02870241 0.00000000 0.00000000 0.00000000
|
|
20 0.00065740 0.13295880 0.00000000 0.00000000 0.00000000
|
|
21 -0.61721633 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.11871838 1.26458007 0.85353058
|
|
23 -0.00065740 0.13295880 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 1.26458007 0.11871838 0.21925254
|
|
25 0.00000000 1.38083081 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 -0.17083253 1.81969633 0.34223441
|
|
27 0.00000000 0.00000000 0.81379294 0.07639863 0.03931554
|
|
28 -0.00002337 0.66953409 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 -0.07639863 0.81379294 0.15305188
|
|
30 0.02194499 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.10067774 1.07241236 0.19025369
|
|
32 0.00000000 0.00000000 1.81969633 0.17083253 0.08791221
|
|
33 0.00002337 0.66953409 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 1.07241236 0.10067774 0.04887183
|
|
35 0.00000000 1.88707969 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.04985511 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 -0.54297328 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 -1.50318110 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.38283706 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.12139840 -1.29312739 0.25669367
|
|
41 0.00000000 0.00000000 -1.29312739 -0.12139840 0.06593875
|
|
42 0.00000000 -0.99273272 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.38853913 4.13869218 -1.20672563
|
|
44 0.00000000 0.00000000 4.13869218 0.38853913 -0.30998029
|
|
45 0.00000000 4.26211584 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.21565170 -2.29710706 0.20678400
|
|
47 0.00000000 0.00000000 -2.29710706 -0.21565170 0.05311809
|
|
48 0.00000000 -1.80162874 0.00000000 0.00000000 0.00000000
|
|
49 -0.00010180 0.04165619 0.00000000 0.00000000 0.00000000
|
|
50 0.09557876 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00567622 0.06046266 0.11974460
|
|
52 0.00010180 0.04165619 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.06046266 0.00567622 0.03075966
|
|
54 0.00000000 0.02870242 0.00000000 0.00000000 0.00000000
|
|
55 0.00065740 0.13295878 0.00000000 0.00000000 0.00000000
|
|
56 -0.61721640 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.11871839 1.26458015 -0.85353054
|
|
58 -0.00065740 0.13295878 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 1.26458015 0.11871839 -0.21925253
|
|
60 0.00000000 1.38083103 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.17083250 -1.81969606 0.34223418
|
|
62 0.00000000 0.00000000 -0.81379282 -0.07639862 0.03931551
|
|
63 0.00002337 -0.66953406 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.07639862 -0.81379282 0.15305178
|
|
65 -0.02194499 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.10067773 -1.07241224 0.19025357
|
|
67 0.00000000 0.00000000 -1.81969606 -0.17083250 0.08791216
|
|
68 -0.00002337 -0.66953406 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 -1.07241224 -0.10067773 0.04887180
|
|
70 0.00000000 -1.88707967 0.00000000 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 0.00000000 0.25110090 0.94831701
|
|
2 0.00000000 0.00000000 0.00000000 -14.06024308 0.80397200
|
|
3 0.00000000 0.00000000 0.00000000 -18.82248519 -3.58633542
|
|
4 0.00000000 0.00000000 0.00000000 -0.99734580 0.20521802
|
|
5 -0.06593879 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.25669383 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.77700759 0.33223463
|
|
8 0.30998044 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 -1.20672620 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 -10.70440806 -1.22550585
|
|
11 -0.05311813 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.20678416 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 -9.44445675 -0.75625574
|
|
14 0.00000000 0.09317874 0.00000147 0.02690922 0.03515710
|
|
15 0.00000000 0.00000170 -0.10759354 0.00000000 0.00000000
|
|
16 0.03075965 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 -0.09317874 -0.00000147 0.02690922 0.03515710
|
|
18 -0.11974459 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 -0.53110735 0.14766415
|
|
20 0.00000000 -1.05422604 -0.00001662 -0.56345291 1.49630513
|
|
21 0.00000000 -0.00001920 1.21731538 0.00000000 0.00000000
|
|
22 -0.21925254 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 1.05422604 0.00001662 -0.56345291 1.49630513
|
|
24 0.85353058 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 -6.21700660 0.10413277
|
|
26 -0.08791221 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.15305188 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 -0.08451285 -0.00000133 0.68384285 0.22335443
|
|
29 -0.03931554 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 -0.00000154 0.09758704 0.00000000 0.00000000
|
|
31 -0.04887183 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.34223441 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.08451285 0.00000133 0.68384285 0.22335443
|
|
34 0.19025369 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.74314856 0.51575365
|
|
36 0.00000000 0.00000000 0.00000000 -0.25110079 0.94831717
|
|
37 0.00000000 0.00000000 0.00000000 14.06024309 0.80397124
|
|
38 0.00000000 0.00000000 0.00000000 18.82248495 -3.58633936
|
|
39 0.00000000 0.00000000 0.00000000 0.99734579 0.20521823
|
|
40 -0.06593875 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.25669367 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.77700768 -0.33223463
|
|
43 0.30998029 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 -1.20672563 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 -10.70440842 1.22550632
|
|
46 -0.05311809 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.20678400 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 -9.44445664 0.75625702
|
|
49 0.00000000 -0.09317873 -0.00000147 -0.02690922 0.03515711
|
|
50 0.00000000 -0.00000170 0.10759353 0.00000000 0.00000000
|
|
51 -0.03075966 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.09317873 0.00000147 -0.02690922 0.03515711
|
|
53 0.11974460 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.53110736 0.14766413
|
|
55 0.00000000 1.05422601 0.00001662 0.56345300 1.49630544
|
|
56 0.00000000 0.00001920 -1.21731534 0.00000000 0.00000000
|
|
57 0.21925253 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 -1.05422601 -0.00001662 0.56345300 1.49630544
|
|
59 -0.85353054 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 6.21700663 0.10413256
|
|
61 -0.08791216 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.15305178 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 -0.08451285 -0.00000133 0.68384291 -0.22335445
|
|
64 -0.03931551 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 -0.00000154 0.09758703 0.00000000 0.00000000
|
|
66 -0.04887180 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.34223418 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 0.08451285 0.00000133 0.68384291 -0.22335445
|
|
69 0.19025357 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.74314870 -0.51575363
|
|
26 27 28 29 30
|
|
1 0.79172499 0.00000000 0.00000000 -0.77855627 0.00000000
|
|
2 0.69825553 0.00000000 0.00000000 4.22031168 0.00000000
|
|
3 -13.51527763 0.00000000 0.00000000 1.03576489 0.00000000
|
|
4 1.25938723 0.00000000 0.00000000 0.06413528 0.00000000
|
|
5 0.00000000 -0.85804205 2.38126698 0.00000000 0.05455749
|
|
6 0.00000000 2.38126698 0.85804205 0.00000000 -2.63536665
|
|
7 -0.29184210 0.00000000 0.00000000 2.23670487 0.00000000
|
|
8 0.00000000 4.12888047 -11.45860713 0.00000000 -0.16868960
|
|
9 0.00000000 -11.45860713 -4.12888047 0.00000000 8.14844961
|
|
10 1.38441690 0.00000000 0.00000000 -7.73707189 0.00000000
|
|
11 0.00000000 0.29282699 -0.81266325 0.00000000 0.01575722
|
|
12 0.00000000 -0.81266325 -0.29282699 0.00000000 -0.76114301
|
|
13 -3.37093951 0.00000000 0.00000000 -0.93733813 0.00000000
|
|
14 0.04420132 0.00000000 0.00000000 -0.10372130 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.03942554 -0.10941508 0.00000000 0.00027853
|
|
17 0.04420132 0.00000000 0.00000000 -0.10372130 0.00000000
|
|
18 0.00000000 -0.10941508 -0.03942554 0.00000000 -0.01345418
|
|
19 0.09829188 0.00000000 0.00000000 0.03538426 0.00000000
|
|
20 1.80600948 0.00000000 0.00000000 0.25337286 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 1.29880691 -3.60449236 0.00000000 -0.00105851
|
|
23 1.80600948 0.00000000 0.00000000 0.25337286 0.00000000
|
|
24 0.00000000 -3.60449236 -1.29880691 0.00000000 0.05113052
|
|
25 0.99867092 0.00000000 0.00000000 -4.05534555 0.00000000
|
|
26 0.00000000 -1.24447965 3.45372153 0.00000000 0.08265692
|
|
27 0.00000000 1.54455122 0.55654822 0.00000000 -1.78558643
|
|
28 -0.10639790 0.00000000 0.00000000 1.43392655 0.00000000
|
|
29 0.00000000 -0.55654822 1.54455122 0.00000000 0.03696530
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 -0.35144890 0.97535275 0.00000000 0.03644860
|
|
32 0.00000000 3.45372153 1.24447965 0.00000000 -3.99269264
|
|
33 -0.10639790 0.00000000 0.00000000 1.43392655 0.00000000
|
|
34 0.00000000 0.97535275 0.35144890 0.00000000 -1.76062768
|
|
35 -0.38861845 0.00000000 0.00000000 2.48116871 0.00000000
|
|
36 -0.79172493 0.00000000 0.00000000 -0.77855617 0.00000000
|
|
37 -0.69825479 0.00000000 0.00000000 4.22031202 0.00000000
|
|
38 13.51527721 0.00000000 0.00000000 1.03576318 0.00000000
|
|
39 -1.25938720 0.00000000 0.00000000 0.06413549 0.00000000
|
|
40 0.00000000 0.85804202 -2.38126692 0.00000000 0.05455750
|
|
41 0.00000000 -2.38126692 -0.85804202 0.00000000 -2.63536698
|
|
42 -0.29184245 0.00000000 0.00000000 -2.23670481 0.00000000
|
|
43 0.00000000 -4.12888039 11.45860693 0.00000000 -0.16868963
|
|
44 0.00000000 11.45860693 4.12888039 0.00000000 8.14845074
|
|
45 1.38441814 0.00000000 0.00000000 7.73707148 0.00000000
|
|
46 0.00000000 -0.29282700 0.81266327 0.00000000 0.01575722
|
|
47 0.00000000 0.81266327 0.29282700 0.00000000 -0.76114311
|
|
48 -3.37093921 0.00000000 0.00000000 0.93733848 0.00000000
|
|
49 -0.04420133 0.00000000 0.00000000 -0.10372129 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.03942554 -0.10941508 0.00000000 -0.00027853
|
|
52 -0.04420133 0.00000000 0.00000000 -0.10372129 0.00000000
|
|
53 0.00000000 -0.10941508 -0.03942554 0.00000000 0.01345418
|
|
54 -0.09829185 0.00000000 0.00000000 0.03538428 0.00000000
|
|
55 -1.80600919 0.00000000 0.00000000 0.25337315 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 1.29880690 -3.60449235 0.00000000 0.00105851
|
|
58 -1.80600919 0.00000000 0.00000000 0.25337315 0.00000000
|
|
59 0.00000000 -3.60449235 -1.29880690 0.00000000 -0.05113061
|
|
60 -0.99867154 0.00000000 0.00000000 -4.05534528 0.00000000
|
|
61 0.00000000 1.24447961 -3.45372143 0.00000000 0.08265693
|
|
62 0.00000000 -1.54455118 -0.55654820 0.00000000 -1.78558664
|
|
63 -0.10639813 0.00000000 0.00000000 -1.43392652 0.00000000
|
|
64 0.00000000 0.55654820 -1.54455118 0.00000000 0.03696530
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.35144889 -0.97535271 0.00000000 0.03644861
|
|
67 0.00000000 -3.45372143 -1.24447961 0.00000000 -3.99269310
|
|
68 -0.10639813 0.00000000 0.00000000 -1.43392652 0.00000000
|
|
69 0.00000000 -0.97535271 -0.35144889 0.00000000 -1.76062789
|
|
70 -0.38861885 0.00000000 0.00000000 -2.48116864 0.00000000
|
|
31 32 33 34 35
|
|
1 0.00000000 0.15616329 0.00000000 0.00000000 -1.76185338
|
|
2 0.00000000 0.75620698 0.00000000 0.00000000 -22.93738469
|
|
3 0.00000000 -1.33204204 0.00000000 0.00000000 -11.70764206
|
|
4 0.00000000 0.20210044 0.00000000 0.00000000 -0.29134214
|
|
5 2.63536665 0.00000000 -1.04357448 -4.10226409 0.00000000
|
|
6 0.05455749 0.00000000 4.10226409 -1.04357448 0.00000000
|
|
7 0.00000000 3.28847301 0.00000000 0.00000000 1.56972408
|
|
8 -8.14844961 0.00000000 3.41182590 13.41179875 0.00000000
|
|
9 -0.16868960 0.00000000 -13.41179875 3.41182590 0.00000000
|
|
10 0.00000000 -10.99412446 0.00000000 0.00000000 -20.70043285
|
|
11 0.76114301 0.00000000 -0.36225745 -1.42402459 0.00000000
|
|
12 0.01575722 0.00000000 1.42402459 -0.36225745 0.00000000
|
|
13 0.00000000 0.99168954 0.00000000 0.00000000 -7.06879735
|
|
14 0.00000000 0.03183384 0.00000000 0.00000000 0.06192904
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.01345418 0.00000000 -0.01418506 -0.05576112 0.00000000
|
|
17 0.00000000 0.03183384 0.00000000 0.00000000 0.06192904
|
|
18 0.00027853 0.00000000 0.05576112 -0.01418506 0.00000000
|
|
19 0.00000000 0.09773284 0.00000000 0.00000000 -0.96278493
|
|
20 0.00000000 0.52657146 0.00000000 0.00000000 -1.01442737
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.05113052 0.00000000 0.13622289 0.53548863 0.00000000
|
|
23 0.00000000 0.52657146 0.00000000 0.00000000 -1.01442737
|
|
24 -0.00105851 0.00000000 -0.53548863 0.13622289 0.00000000
|
|
25 0.00000000 -0.34354211 0.00000000 0.00000000 -8.34081041
|
|
26 3.99269264 0.00000000 -1.49853677 -5.89070901 0.00000000
|
|
27 0.03696530 0.00000000 2.63440516 -0.67016602 0.00000000
|
|
28 0.00000000 2.17792456 0.00000000 0.00000000 1.28682980
|
|
29 1.78558643 0.00000000 -0.67016602 -2.63440516 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 1.76062768 0.00000000 -0.71084948 -2.79433079 0.00000000
|
|
32 0.08265692 0.00000000 5.89070901 -1.49853677 0.00000000
|
|
33 0.00000000 2.17792456 0.00000000 0.00000000 1.28682980
|
|
34 0.03644860 0.00000000 2.79433079 -0.71084948 0.00000000
|
|
35 0.00000000 5.19862920 0.00000000 0.00000000 1.57812341
|
|
36 0.00000000 0.15616340 0.00000000 0.00000000 1.76185341
|
|
37 0.00000000 0.75620816 0.00000000 0.00000000 22.93738462
|
|
38 0.00000000 -1.33204123 0.00000000 0.00000000 11.70764208
|
|
39 0.00000000 0.20210044 0.00000000 0.00000000 0.29134212
|
|
40 2.63536698 0.00000000 1.04357444 4.10226395 0.00000000
|
|
41 0.05455750 0.00000000 -4.10226395 1.04357444 0.00000000
|
|
42 0.00000000 -3.28847295 0.00000000 0.00000000 1.56972426
|
|
43 -8.14845074 0.00000000 -3.41182579 -13.41179829 0.00000000
|
|
44 -0.16868963 0.00000000 13.41179829 -3.41182579 0.00000000
|
|
45 0.00000000 10.99412345 0.00000000 0.00000000 -20.70043344
|
|
46 0.76114311 0.00000000 0.36225744 1.42402456 0.00000000
|
|
47 0.01575722 0.00000000 -1.42402456 0.36225744 0.00000000
|
|
48 0.00000000 -0.99168998 0.00000000 0.00000000 -7.06879732
|
|
49 0.00000000 0.03183384 0.00000000 0.00000000 -0.06192904
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.01345418 0.00000000 -0.01418506 -0.05576111 0.00000000
|
|
52 0.00000000 0.03183384 0.00000000 0.00000000 -0.06192904
|
|
53 -0.00027853 0.00000000 0.05576111 -0.01418506 0.00000000
|
|
54 0.00000000 0.09773288 0.00000000 0.00000000 0.96278492
|
|
55 0.00000000 0.52657149 0.00000000 0.00000000 1.01442735
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.05113061 0.00000000 0.13622289 0.53548861 0.00000000
|
|
58 0.00000000 0.52657149 0.00000000 0.00000000 1.01442735
|
|
59 0.00105851 0.00000000 -0.53548861 0.13622289 0.00000000
|
|
60 0.00000000 -0.34354169 0.00000000 0.00000000 8.34081046
|
|
61 3.99269310 0.00000000 1.49853671 5.89070877 0.00000000
|
|
62 0.03696530 0.00000000 -2.63440505 0.67016599 0.00000000
|
|
63 0.00000000 -2.17792450 0.00000000 0.00000000 1.28682992
|
|
64 1.78558664 0.00000000 0.67016599 2.63440505 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 1.76062789 0.00000000 0.71084945 2.79433069 0.00000000
|
|
67 0.08265693 0.00000000 -5.89070877 1.49853671 0.00000000
|
|
68 0.00000000 -2.17792450 0.00000000 0.00000000 1.28682992
|
|
69 0.03644861 0.00000000 -2.79433069 0.71084945 0.00000000
|
|
70 0.00000000 -5.19862914 0.00000000 0.00000000 1.57812368
|
|
36 37 38 39 40
|
|
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 0.00000000 0.00000000 0.09680009 -0.00074528 0.00000000
|
|
15 0.00000000 0.00000000 0.00086057 0.11177512 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.09680009 0.00074528 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 0.00000000 0.00000000 -0.13151051 0.00101252 0.00000000
|
|
21 0.00000000 0.00000000 -0.00116915 -0.15185525 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.13151051 -0.00101252 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 0.11608017 -0.47740856 0.00000000 0.00000000 0.60668161
|
|
27 0.64051080 0.15573789 0.00000000 0.00000000 0.36724572
|
|
28 0.00000000 0.00000000 0.50697850 -0.00390330 0.00000000
|
|
29 -0.15573789 0.64051080 0.00000000 0.00000000 -0.81394879
|
|
30 0.00000000 0.00000000 0.00450714 0.58540835 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 -0.47740856 -0.11608017 0.00000000 0.00000000 -0.27372880
|
|
33 0.00000000 0.00000000 -0.50697850 0.00390330 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 0.00000000 0.00000000 0.09680010 -0.00074528 0.00000000
|
|
50 0.00000000 0.00000000 0.00086057 0.11177512 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -0.09680010 0.00074528 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 0.00000000 0.00000000 -0.13151049 0.00101252 0.00000000
|
|
56 0.00000000 0.00000000 -0.00116915 -0.15185524 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.13151049 -0.00101252 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 0.11608017 -0.47740858 0.00000000 0.00000000 -0.60668159
|
|
62 0.64051082 0.15573789 0.00000000 0.00000000 -0.36724571
|
|
63 0.00000000 0.00000000 -0.50697851 0.00390330 0.00000000
|
|
64 -0.15573789 0.64051082 0.00000000 0.00000000 0.81394877
|
|
65 0.00000000 0.00000000 -0.00450714 -0.58540836 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 -0.47740858 -0.11608017 0.00000000 0.00000000 0.27372879
|
|
68 0.00000000 0.00000000 0.50697851 -0.00390330 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.00000000 -3.75837102 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 5.28410567 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 2.78549186 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 0.92797111 0.00000000
|
|
5 0.00000000 -0.49495664 -1.34033646 0.00000000 0.00000000
|
|
6 0.00000000 1.34033646 -0.49495664 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 2.27824457 0.00000000
|
|
8 0.00000000 3.00487136 8.13715442 0.00000000 0.00000000
|
|
9 0.00000000 -8.13715442 3.00487136 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 -6.14131963 0.00000000
|
|
11 0.00000000 0.33771165 0.91451897 0.00000000 0.00000000
|
|
12 0.00000000 -0.91451897 0.33771165 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 -0.86178450 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 -0.21123949 -0.26793502
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00018382
|
|
16 0.00000000 0.12909609 0.34959061 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 -0.21123949 0.26793502
|
|
18 0.00000000 -0.34959061 0.12909609 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.06623572 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 -0.02231817 0.87583473
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00060087
|
|
22 0.00000000 1.16533042 3.15570035 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 -0.02231817 -0.87583473
|
|
24 0.00000000 -3.15570035 1.16533042 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 -3.97263494 0.00000000
|
|
26 -0.27372880 -0.94304489 -2.55375389 0.00000000 0.00000000
|
|
27 0.81394879 1.14207346 -0.42174250 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 1.53553755 0.96918618
|
|
29 0.36724572 -0.42174250 -1.14207346 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00066491
|
|
31 0.00000000 0.28458230 0.77064535 0.00000000 0.00000000
|
|
32 -0.60668161 2.55375389 -0.94304489 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 1.53553755 -0.96918618
|
|
34 0.00000000 -0.77064535 0.28458230 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 0.63459388 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 -3.75837102 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 5.28410533 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 2.78549157 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.92797111 0.00000000
|
|
40 0.00000000 0.49495664 1.34033646 0.00000000 0.00000000
|
|
41 0.00000000 -1.34033646 0.49495664 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 -2.27824460 0.00000000
|
|
43 0.00000000 -3.00487134 -8.13715436 0.00000000 0.00000000
|
|
44 -0.00000000 8.13715436 -3.00487134 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 6.14131998 0.00000000
|
|
46 0.00000000 -0.33771166 -0.91451898 0.00000000 0.00000000
|
|
47 0.00000000 0.91451898 -0.33771166 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.86178463 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 -0.21123948 0.26793508
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00018382
|
|
51 0.00000000 0.12909607 0.34959057 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 -0.21123948 -0.26793508
|
|
53 0.00000000 -0.34959057 0.12909607 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.06623570 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 -0.02231815 -0.87583476
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00060087
|
|
57 0.00000000 1.16533043 3.15570038 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 -0.02231815 0.87583476
|
|
59 0.00000000 -3.15570038 1.16533043 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 -3.97263505 0.00000000
|
|
61 0.27372879 0.94304489 2.55375389 0.00000000 0.00000000
|
|
62 -0.81394877 -1.14207346 0.42174250 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 -1.53553762 0.96918619
|
|
64 -0.36724571 0.42174250 1.14207346 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00066491
|
|
66 0.00000000 -0.28458232 -0.77064539 0.00000000 0.00000000
|
|
67 0.60668159 -2.55375389 0.94304489 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 -1.53553762 -0.96918619
|
|
69 0.00000000 0.77064539 -0.28458232 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 -0.63459389 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 -1.55547290 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 13.34478413 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 11.65952597 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 0.25607131 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.19824155 -0.24606462 0.00000000
|
|
6 0.00000000 0.00000000 0.24606462 0.19824155 0.00000000
|
|
7 0.00000000 -1.02793195 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.94757549 1.17616516 0.00000000
|
|
9 0.00000000 0.00000000 -1.17616516 -0.94757549 0.00000000
|
|
10 0.00000000 12.95022814 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.09746494 -0.12097703 0.00000000
|
|
12 0.00000000 0.00000000 0.12097703 0.09746494 0.00000000
|
|
13 0.00000000 4.48868856 0.00000000 0.00000000 0.00000000
|
|
14 0.00015919 -0.05619492 0.00000000 0.00000000 0.00213313
|
|
15 -0.30938471 0.00000000 0.00000000 0.00000000 -0.83786413
|
|
16 0.00000000 0.00000000 -0.52157448 0.64739722 0.00000000
|
|
17 -0.00015919 -0.05619492 0.00000000 0.00000000 -0.00213313
|
|
18 0.00000000 0.00000000 -0.64739722 -0.52157448 0.00000000
|
|
19 0.00000000 0.88518336 0.00000000 0.00000000 0.00000000
|
|
20 -0.00052037 -0.56666317 0.00000000 0.00000000 -0.00085439
|
|
21 1.01132684 0.00000000 0.00000000 0.00000000 0.33559346
|
|
22 0.00000000 0.00000000 0.38385606 -0.47645611 0.00000000
|
|
23 0.00052037 -0.56666317 0.00000000 0.00000000 0.00085439
|
|
24 0.00000000 0.00000000 0.47645611 0.38385606 0.00000000
|
|
25 0.00000000 4.03936281 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.32089463 -0.39830609 0.00000000
|
|
27 0.00000000 0.00000000 0.17812790 0.14350844 0.00000000
|
|
28 -0.00057583 -1.98507129 0.00000000 0.00000000 -0.00055736
|
|
29 0.00000000 0.00000000 0.14350844 -0.17812790 0.00000000
|
|
30 1.11911981 0.00000000 0.00000000 0.00000000 0.21892209
|
|
31 0.00000000 0.00000000 0.39078252 -0.48505347 0.00000000
|
|
32 0.00000000 0.00000000 0.39830609 0.32089463 0.00000000
|
|
33 0.00057583 -1.98507129 0.00000000 0.00000000 0.00055736
|
|
34 0.00000000 0.00000000 0.48505347 0.39078252 0.00000000
|
|
35 0.00000000 -0.82205734 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 1.55547321 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 -13.34478436 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 -11.65952619 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 -0.25607138 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.19824156 -0.24606463 0.00000000
|
|
41 0.00000000 0.00000000 0.24606463 0.19824156 0.00000000
|
|
42 0.00000000 -1.02793187 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.94757565 1.17616536 0.00000000
|
|
44 0.00000000 0.00000000 -1.17616536 -0.94757565 0.00000000
|
|
45 0.00000000 12.95022794 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.09746491 -0.12097699 0.00000000
|
|
47 0.00000000 0.00000000 0.12097699 0.09746491 0.00000000
|
|
48 0.00000000 4.48868854 0.00000000 0.00000000 0.00000000
|
|
49 -0.00015919 0.05619491 0.00000000 0.00000000 0.00213313
|
|
50 0.30938478 0.00000000 0.00000000 0.00000000 -0.83786413
|
|
51 0.00000000 0.00000000 0.52157450 -0.64739724 0.00000000
|
|
52 0.00015919 0.05619491 0.00000000 0.00000000 -0.00213313
|
|
53 0.00000000 0.00000000 0.64739724 0.52157450 0.00000000
|
|
54 0.00000000 -0.88518336 0.00000000 0.00000000 0.00000000
|
|
55 0.00052037 0.56666320 0.00000000 0.00000000 -0.00085439
|
|
56 -1.01132687 0.00000000 0.00000000 0.00000000 0.33559338
|
|
57 0.00000000 0.00000000 -0.38385597 0.47645599 0.00000000
|
|
58 -0.00052037 0.56666320 0.00000000 0.00000000 0.00085439
|
|
59 0.00000000 0.00000000 -0.47645599 -0.38385597 0.00000000
|
|
60 0.00000000 -4.03936265 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.32089467 -0.39830613 0.00000000
|
|
62 0.00000000 0.00000000 0.17812792 0.14350846 0.00000000
|
|
63 -0.00057583 -1.98507124 0.00000000 0.00000000 0.00055736
|
|
64 0.00000000 0.00000000 0.14350846 -0.17812792 0.00000000
|
|
65 1.11911982 0.00000000 0.00000000 0.00000000 -0.21892198
|
|
66 0.00000000 0.00000000 0.39078248 -0.48505342 0.00000000
|
|
67 0.00000000 0.00000000 0.39830613 0.32089467 0.00000000
|
|
68 0.00057583 -1.98507124 0.00000000 0.00000000 -0.00055736
|
|
69 0.00000000 0.00000000 0.48505342 0.39078248 0.00000000
|
|
70 0.00000000 -0.82205733 0.00000000 0.00000000 0.00000000
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 5.17970264 5.94283473
|
|
2 0.00000000 0.00000000 0.00000000 -2.24814668 -0.39198581
|
|
3 0.00000000 0.00000000 0.00000000 -3.51137886 -4.32764791
|
|
4 0.00000000 0.00000000 0.00000000 -1.41474796 -1.54164740
|
|
5 0.00000000 -0.12571107 1.20196546 0.00000000 0.00000000
|
|
6 0.00000000 1.20196546 0.12571107 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 -1.55139967 1.46958411
|
|
8 0.00000000 0.37362369 -3.57234071 0.00000000 0.00000000
|
|
9 0.00000000 -3.57234071 -0.37362369 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 6.66371678 -7.35817954
|
|
11 0.00000000 -0.02141809 0.20478549 0.00000000 0.00000000
|
|
12 0.00000000 0.20478549 0.02141809 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 -0.57418566 0.06783370
|
|
14 0.72561162 0.00000000 0.00000000 -0.37215737 -0.38929239
|
|
15 0.00246312 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 -0.01509064 0.14428663 0.00000000 0.00000000
|
|
17 -0.72561162 0.00000000 0.00000000 -0.37215737 -0.38929239
|
|
18 0.00000000 0.14428663 0.01509064 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.34701489 0.30272483
|
|
20 -0.29063246 0.00000000 0.00000000 0.50190885 0.78349563
|
|
21 -0.00098657 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.04495604 -0.42983974 0.00000000 0.00000000
|
|
23 0.29063246 0.00000000 0.00000000 0.50190885 0.78349563
|
|
24 0.00000000 -0.42983974 -0.04495604 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 1.02418333 -0.64200739
|
|
26 0.00000000 -0.27090649 2.59022731 0.00000000 0.00000000
|
|
27 0.00000000 1.15838487 0.12115306 0.00000000 0.00000000
|
|
28 -0.18959209 0.00000000 0.00000000 -1.57440195 1.80811576
|
|
29 0.00000000 -0.12115306 1.15838487 0.00000000 0.00000000
|
|
30 -0.00064358 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.02104838 -0.20125062 0.00000000 0.00000000
|
|
32 0.00000000 2.59022731 0.27090649 0.00000000 0.00000000
|
|
33 0.18959209 0.00000000 0.00000000 -1.57440195 1.80811576
|
|
34 0.00000000 -0.20125062 -0.02104838 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 -2.86111124 3.40886551
|
|
36 0.00000000 0.00000000 0.00000000 5.17970281 5.94283569
|
|
37 0.00000000 0.00000000 0.00000000 -2.24814665 -0.39198235
|
|
38 0.00000000 0.00000000 0.00000000 -3.51137897 -4.32764778
|
|
39 0.00000000 0.00000000 0.00000000 -1.41474801 -1.54164753
|
|
40 0.00000000 -0.12571107 1.20196547 0.00000000 0.00000000
|
|
41 0.00000000 1.20196547 0.12571107 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 1.55139966 -1.46958351
|
|
43 0.00000000 0.37362369 -3.57234072 0.00000000 0.00000000
|
|
44 0.00000000 -3.57234072 -0.37362369 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 -6.66371684 7.35817536
|
|
46 0.00000000 -0.02141809 0.20478552 0.00000000 0.00000000
|
|
47 0.00000000 0.20478552 0.02141809 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.57418566 -0.06783426
|
|
49 0.72561162 0.00000000 0.00000000 -0.37215739 -0.38929248
|
|
50 0.00246312 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.01509064 -0.14428663 0.00000000 0.00000000
|
|
52 -0.72561162 0.00000000 0.00000000 -0.37215739 -0.38929248
|
|
53 0.00000000 -0.14428663 -0.01509064 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.34701489 0.30272511
|
|
55 -0.29063239 0.00000000 0.00000000 0.50190885 0.78349591
|
|
56 -0.00098657 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 -0.04495604 0.42983970 0.00000000 0.00000000
|
|
58 0.29063239 0.00000000 0.00000000 0.50190885 0.78349591
|
|
59 0.00000000 0.42983970 0.04495604 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 1.02418334 -0.64200610
|
|
61 0.00000000 -0.27090649 2.59022733 0.00000000 0.00000000
|
|
62 0.00000000 1.15838488 0.12115307 0.00000000 0.00000000
|
|
63 0.18959199 0.00000000 0.00000000 1.57440198 -1.80811535
|
|
64 0.00000000 -0.12115307 1.15838488 0.00000000 0.00000000
|
|
65 0.00064358 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.02104838 -0.20125058 0.00000000 0.00000000
|
|
67 0.00000000 2.59022733 0.27090649 0.00000000 0.00000000
|
|
68 -0.18959199 0.00000000 0.00000000 1.57440198 -1.80811535
|
|
69 0.00000000 -0.20125058 -0.02104838 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 2.86111124 -3.40886493
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 -5.02452669 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -24.06550812 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -2.28503997 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.52688166 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.02955056 0.43223630
|
|
6 0.00000000 0.00000000 0.00000000 -0.43223630 0.02955056
|
|
7 0.00000000 0.00000000 4.19253443 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 -0.34138120 -4.99338582
|
|
9 0.00000000 0.00000000 0.00000000 4.99338582 -0.34138120
|
|
10 0.00000000 0.00000000 -28.79121213 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.02372835 0.34707483
|
|
12 0.00000000 0.00000000 0.00000000 -0.34707483 0.02372835
|
|
13 0.00000000 0.00000000 -4.02783819 0.00000000 0.00000000
|
|
14 0.00107534 -0.80648340 0.43736798 0.00000000 0.00000000
|
|
15 -0.93124682 -0.00124170 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.00105426 -0.01542069
|
|
17 -0.00107534 0.80648340 0.43736798 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.01542069 -0.00105426
|
|
19 0.00000000 0.00000000 -2.05996615 0.00000000 0.00000000
|
|
20 0.00006196 -0.04647197 -1.88143504 0.00000000 0.00000000
|
|
21 -0.05366121 -0.00007155 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00677893 0.09915544
|
|
23 -0.00006196 0.04647197 -1.88143504 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.09915544 0.00677893
|
|
25 0.00000000 0.00000000 -8.80702979 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.18459350 2.70005080
|
|
27 0.00000000 0.00000000 0.00000000 -1.20749943 0.08255272
|
|
28 0.00099036 -0.74275324 2.70298312 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.08255272 1.20749943
|
|
30 -0.85765757 -0.00114357 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.11084796 1.62137405
|
|
32 0.00000000 0.00000000 0.00000000 -2.70005080 0.18459350
|
|
33 -0.00099036 0.74275324 2.70298312 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -1.62137405 0.11084796
|
|
35 0.00000000 0.00000000 4.18670239 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 5.02452573 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 24.06550820 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 2.28504065 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.52688141 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.02955066 0.43223774
|
|
41 0.00000000 0.00000000 0.00000000 -0.43223774 0.02955066
|
|
42 0.00000000 0.00000000 4.19253463 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 -0.34138171 -4.99339319
|
|
44 0.00000000 0.00000000 0.00000000 4.99339319 -0.34138171
|
|
45 0.00000000 0.00000000 -28.79121315 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.02372839 0.34707534
|
|
47 0.00000000 0.00000000 0.00000000 -0.34707534 0.02372839
|
|
48 0.00000000 0.00000000 -4.02783819 0.00000000 0.00000000
|
|
49 -0.00107534 0.80648339 -0.43736792 0.00000000 0.00000000
|
|
50 0.93124680 0.00124170 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00105425 0.01542053
|
|
52 0.00107534 -0.80648339 -0.43736792 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.01542053 0.00105425
|
|
54 0.00000000 0.00000000 2.05996611 0.00000000 0.00000000
|
|
55 -0.00006196 0.04647198 1.88143493 0.00000000 0.00000000
|
|
56 0.05366122 0.00007155 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.00677890 -0.09915505
|
|
58 0.00006196 -0.04647198 1.88143493 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.09915505 -0.00677890
|
|
60 0.00000000 0.00000000 8.80702987 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.18459376 2.70005451
|
|
62 0.00000000 0.00000000 0.00000000 -1.20750109 0.08255284
|
|
63 0.00099036 -0.74275324 2.70298338 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.08255284 1.20750109
|
|
65 -0.85765757 -0.00114357 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.11084806 1.62137560
|
|
67 0.00000000 0.00000000 0.00000000 -2.70005451 0.18459376
|
|
68 -0.00099036 0.74275324 2.70298338 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -1.62137560 0.11084806
|
|
70 0.00000000 0.00000000 4.18670286 0.00000000 0.00000000
|
|
61 62 63 64 65
|
|
1 0.00000000 0.00000000 -6.11823583 1.71110254 0.00000000
|
|
2 0.00000000 0.00000000 10.23367326 -5.28534125 0.00000000
|
|
3 0.00000000 0.00000000 8.83207240 -2.05262245 0.00000000
|
|
4 0.00000000 0.00000000 1.71326962 -0.32008126 0.00000000
|
|
5 -0.70198000 1.76122897 0.00000000 0.00000000 -0.41757390
|
|
6 1.76122897 0.70198000 0.00000000 0.00000000 -0.48596069
|
|
7 0.00000000 0.00000000 -1.50470049 -1.06491045 0.00000000
|
|
8 3.61998294 -9.08233690 0.00000000 0.00000000 -1.45501347
|
|
9 -9.08233690 -3.61998294 0.00000000 0.00000000 -1.69330350
|
|
10 0.00000000 0.00000000 10.49245353 0.93641312 0.00000000
|
|
11 -0.25026294 0.62789587 0.00000000 0.00000000 -0.42146560
|
|
12 0.62789587 0.25026294 0.00000000 0.00000000 -0.49048974
|
|
13 0.00000000 0.00000000 2.60537783 0.49100406 0.00000000
|
|
14 0.00000000 0.00000000 0.61161030 0.76988216 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.08023125 0.20129576 0.00000000 0.00000000 -1.30748650
|
|
17 0.00000000 0.00000000 0.61161030 0.76988216 0.00000000
|
|
18 0.20129576 0.08023125 0.00000000 0.00000000 -1.52161578
|
|
19 0.00000000 0.00000000 1.14889203 1.72226510 0.00000000
|
|
20 0.00000000 0.00000000 0.34173718 0.64260417 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.18929435 -0.47492904 0.00000000 0.00000000 -1.12759614
|
|
23 0.00000000 0.00000000 0.34173718 0.64260417 0.00000000
|
|
24 -0.47492904 -0.18929435 0.00000000 0.00000000 -1.31226447
|
|
25 0.00000000 0.00000000 3.19968661 2.44543031 0.00000000
|
|
26 -1.82735967 4.58474431 0.00000000 0.00000000 0.11725999
|
|
27 2.05035999 0.81722009 0.00000000 0.00000000 0.06102849
|
|
28 0.00000000 0.00000000 -0.57583930 -0.28598920 0.00000000
|
|
29 -0.81722009 2.05035999 0.00000000 0.00000000 0.05244026
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.76611830 1.92214842 0.00000000 0.00000000 -1.15512032
|
|
32 4.58474431 1.82735967 0.00000000 0.00000000 0.13646386
|
|
33 0.00000000 0.00000000 -0.57583930 -0.28598920 0.00000000
|
|
34 1.92214842 0.76611830 0.00000000 0.00000000 -1.34429634
|
|
35 0.00000000 0.00000000 -1.66810135 1.35260961 0.00000000
|
|
36 0.00000000 0.00000000 6.11823547 1.71110258 0.00000000
|
|
37 0.00000000 0.00000000 -10.23367309 -5.28534120 0.00000000
|
|
38 0.00000000 0.00000000 -8.83207213 -2.05262250 0.00000000
|
|
39 0.00000000 0.00000000 -1.71326953 -0.32008128 0.00000000
|
|
40 0.70197988 -1.76122868 0.00000000 0.00000000 0.41757390
|
|
41 -1.76122868 -0.70197988 0.00000000 0.00000000 0.48596069
|
|
42 0.00000000 0.00000000 -1.50470050 1.06491047 0.00000000
|
|
43 -3.61998156 9.08233344 0.00000000 0.00000000 1.45501347
|
|
44 9.08233344 3.61998156 0.00000000 0.00000000 1.69330349
|
|
45 0.00000000 0.00000000 10.49245348 -0.93641325 0.00000000
|
|
46 0.25026285 -0.62789564 0.00000000 0.00000000 0.42146560
|
|
47 -0.62789564 -0.25026285 0.00000000 0.00000000 0.49048974
|
|
48 0.00000000 0.00000000 2.60537784 -0.49100405 0.00000000
|
|
49 0.00000000 0.00000000 -0.61161029 0.76988215 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.08023125 0.20129577 0.00000000 0.00000000 -1.30748650
|
|
52 0.00000000 0.00000000 -0.61161029 0.76988215 0.00000000
|
|
53 0.20129577 0.08023125 0.00000000 0.00000000 -1.52161578
|
|
54 0.00000000 0.00000000 -1.14889207 1.72226509 0.00000000
|
|
55 0.00000000 0.00000000 -0.34173722 0.64260417 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.18929437 -0.47492911 0.00000000 0.00000000 -1.12759614
|
|
58 0.00000000 0.00000000 -0.34173722 0.64260417 0.00000000
|
|
59 -0.47492911 -0.18929437 0.00000000 0.00000000 -1.31226447
|
|
60 0.00000000 0.00000000 -3.19968668 2.44543033 0.00000000
|
|
61 1.82735893 -4.58474244 0.00000000 0.00000000 -0.11725999
|
|
62 -2.05035915 -0.81721976 0.00000000 0.00000000 -0.06102849
|
|
63 0.00000000 0.00000000 -0.57583929 0.28598923 0.00000000
|
|
64 0.81721976 -2.05035915 0.00000000 0.00000000 -0.05244026
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.76611785 -1.92214731 0.00000000 0.00000000 1.15512032
|
|
67 -4.58474244 -1.82735893 0.00000000 0.00000000 -0.13646386
|
|
68 0.00000000 0.00000000 -0.57583929 0.28598923 0.00000000
|
|
69 -1.92214731 -0.76611785 0.00000000 0.00000000 1.34429634
|
|
70 0.00000000 0.00000000 -1.66810127 -1.35260956 0.00000000
|
|
66 67 68 69 70
|
|
1 -0.00000001 2.66393737 -4.37012330 60.39209286 60.93064277
|
|
2 -0.00000012 60.31054942 -14.77252088 -27.03398297 -40.55371987
|
|
3 -0.00000001 7.01246486 7.43409654 -33.79792640 -43.84975822
|
|
4 -0.00000000 0.35107957 0.58107162 -17.39240005 -16.67805027
|
|
5 -0.48596069 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.41757390 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000003 -17.08505255 12.51859257 0.66687960 2.68223947
|
|
8 -1.69330350 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 1.45501347 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 -0.00000019 97.08998041 -43.75736597 -0.74003415 -14.45336965
|
|
11 -0.49048974 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.42146560 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00000001 6.76736358 0.48824731 -0.51637976 -3.63209016
|
|
14 0.00000000 -0.36423290 -0.70702008 3.72561192 3.74584766
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -1.52161578 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 -0.36423290 -0.70702008 3.72561192 3.74584766
|
|
18 1.30748650 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00000001 3.90878489 1.75911071 3.09637134 3.79433024
|
|
20 -0.00000001 5.19395370 -3.65490765 3.04152177 2.97981606
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -1.31226447 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00000001 5.19395370 -3.65490765 3.04152177 2.97981606
|
|
24 1.12759614 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.00000004 22.03301747 -8.49152181 1.73989355 -0.75707896
|
|
26 0.13646386 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 -0.05244026 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000003 -12.96116503 6.90447213 0.31868632 1.31878650
|
|
29 0.06102849 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -1.34429634 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 -0.11725999 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000003 -12.96116503 6.90447213 0.31868632 1.31878650
|
|
34 1.15512032 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000005 -25.04677534 15.90142563 -0.87404213 3.00819978
|
|
36 0.00000001 -2.66393736 4.37012331 60.39209538 -60.93064026
|
|
37 0.00000012 -60.31054944 14.77252087 -27.03398463 40.55371875
|
|
38 0.00000001 -7.01246487 -7.43409654 -33.79792821 43.84975682
|
|
39 0.00000000 -0.35107957 -0.58107162 -17.39240075 16.67804955
|
|
40 0.48596069 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 -0.41757390 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000003 -17.08505254 12.51859257 -0.66687971 2.68223944
|
|
43 1.69330349 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 -1.45501347 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -0.00000019 97.08998040 -43.75736597 0.74003473 -14.45336961
|
|
46 0.49048974 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 -0.42146560 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 -0.00000001 6.76736358 0.48824731 0.51637991 -3.63209014
|
|
49 -0.00000000 0.36423290 0.70702008 3.72561207 -3.74584750
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -1.52161578 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00000000 0.36423290 0.70702008 3.72561207 -3.74584750
|
|
53 1.30748650 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000001 -3.90878488 -1.75911070 3.09637150 -3.79433011
|
|
55 0.00000001 -5.19395370 3.65490765 3.04152189 -2.97981593
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -1.31226447 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000001 -5.19395370 3.65490765 3.04152189 -2.97981593
|
|
59 1.12759614 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000004 -22.03301746 8.49152181 1.73989352 0.75707903
|
|
61 -0.13646386 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.05244026 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000003 -12.96116503 6.90447213 -0.31868637 1.31878648
|
|
64 -0.06102849 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 1.34429634 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.11725999 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00000003 -12.96116503 6.90447213 -0.31868637 1.31878648
|
|
69 -1.15512032 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000005 -25.04677534 15.90142563 0.87404201 3.00819982
|
|
|
|
-----------------------------------------
|
|
UHF spin-down orbital coefficients
|
|
-----------------------------------------
|
|
1 2 3 4 5
|
|
1 -0.86327537 0.37233458 0.00802620 0.00000000 0.00000000
|
|
2 0.04106325 0.69778714 -0.14262870 0.00000000 0.00000000
|
|
3 0.16942357 -0.71167296 1.50133476 0.00000000 0.00000000
|
|
4 0.16603607 2.99891014 -1.10906183 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 -0.17800147 0.43856849
|
|
6 0.00000000 0.00000000 0.00000000 0.43856849 0.17800147
|
|
7 -0.00573887 -0.06970248 -0.04551172 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.63535678 -1.56542221
|
|
9 0.00000000 0.00000000 0.00000000 -1.56542221 -0.63535678
|
|
10 -0.01217166 0.54939332 0.22448368 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 -0.31071310 0.76554969
|
|
12 0.00000000 0.00000000 0.00000000 0.76554969 0.31071310
|
|
13 -0.01595108 0.18777967 -0.09594292 0.00000000 0.00000000
|
|
14 -0.00092387 0.00393248 -0.01278552 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00042062 -0.00103633
|
|
17 -0.00092387 0.00393248 -0.01278552 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 -0.00103633 -0.00042062
|
|
19 -0.00294645 0.02890564 -0.02146625 0.00000000 0.00000000
|
|
20 -0.00022702 0.13387664 -0.18803358 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 -0.00242786 0.00598187
|
|
23 -0.00022702 0.13387664 -0.18803358 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00598187 0.00242786
|
|
25 -0.00112785 0.31465610 -0.22413927 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -0.26122799 0.64362592
|
|
27 0.00000000 0.00000000 0.00000000 0.28783826 0.11682471
|
|
28 0.00012837 -0.04643771 -0.03362133 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 -0.11682471 0.28783826
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 -0.11591605 0.28559946
|
|
32 0.00000000 0.00000000 0.00000000 0.64362592 0.26122799
|
|
33 0.00012837 -0.04643771 -0.03362133 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.28559946 0.11591605
|
|
35 0.00026860 -0.07976565 -0.11676983 0.00000000 0.00000000
|
|
36 -0.86327484 -0.37233490 0.00802623 0.00000000 0.00000000
|
|
37 0.04106335 -0.69778715 -0.14262818 0.00000000 0.00000000
|
|
38 0.16942385 0.71167365 1.50133408 0.00000000 0.00000000
|
|
39 0.16603621 -2.99891061 -1.10905979 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 -0.17800145 0.43856842
|
|
41 0.00000000 0.00000000 0.00000000 0.43856842 0.17800145
|
|
42 0.00573888 -0.06970244 0.04551177 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.63535670 -1.56542201
|
|
44 0.00000000 0.00000000 0.00000000 -1.56542201 -0.63535670
|
|
45 0.01217163 0.54939319 -0.22448410 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 -0.31071297 0.76554938
|
|
47 0.00000000 0.00000000 0.00000000 0.76554938 0.31071297
|
|
48 0.01595108 0.18777981 0.09594275 0.00000000 0.00000000
|
|
49 -0.00092387 -0.00393249 -0.01278552 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 -0.00042062 0.00103634
|
|
52 -0.00092387 -0.00393249 -0.01278552 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 0.00103634 0.00042062
|
|
54 -0.00294645 -0.02890565 -0.02146622 0.00000000 0.00000000
|
|
55 -0.00022702 -0.13387671 -0.18803347 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00242785 -0.00598184
|
|
58 -0.00022702 -0.13387671 -0.18803347 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 -0.00598184 -0.00242785
|
|
60 -0.00112784 -0.31465620 -0.22413902 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 -0.26122795 0.64362583
|
|
62 0.00000000 0.00000000 0.00000000 0.28783822 0.11682469
|
|
63 -0.00012836 -0.04643768 0.03362137 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 -0.11682469 0.28783822
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 -0.11591603 0.28559942
|
|
67 0.00000000 0.00000000 0.00000000 0.64362583 0.26122795
|
|
68 -0.00012836 -0.04643768 0.03362137 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.28559942 0.11591603
|
|
70 -0.00026859 -0.07976558 0.11676989 0.00000000 0.00000000
|
|
6 7 8 9 10
|
|
1 0.04267676 -0.19752420 0.00000000 0.00000000 -1.74093944
|
|
2 -2.05112178 0.13451536 0.00000000 0.00000000 -0.81679175
|
|
3 1.93711582 1.30902928 0.00000000 0.00000000 4.05048374
|
|
4 -3.28314077 -0.47679694 0.00000000 0.00000000 -0.27662790
|
|
5 0.00000000 0.00000000 -0.05172680 0.63760566 0.00000000
|
|
6 0.00000000 0.00000000 0.63760566 0.05172680 0.00000000
|
|
7 0.14070534 -0.50408365 0.00000000 0.00000000 0.07239869
|
|
8 0.00000000 0.00000000 0.17627912 -2.17288858 0.00000000
|
|
9 0.00000000 0.00000000 -2.17288858 -0.17627912 0.00000000
|
|
10 -1.44534346 1.97098417 0.00000000 0.00000000 -0.23813363
|
|
11 0.00000000 0.00000000 -0.18753701 2.31165799 0.00000000
|
|
12 0.00000000 0.00000000 2.31165799 0.18753701 0.00000000
|
|
13 -0.89683179 -1.82705853 0.00000000 0.00000000 0.52976252
|
|
14 -0.00740617 -0.01349228 0.00000000 0.00000000 -0.02855371
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 -0.00138274 0.01704417 0.00000000
|
|
17 -0.00740617 -0.01349228 0.00000000 0.00000000 -0.02855371
|
|
18 0.00000000 0.00000000 0.01704417 0.00138274 0.00000000
|
|
19 -0.08069424 -0.00984925 0.00000000 0.00000000 -0.06791885
|
|
20 -0.38136357 -0.03123014 0.00000000 0.00000000 -0.70687694
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 -0.02076218 0.25592308 0.00000000
|
|
23 -0.38136357 -0.03123014 0.00000000 0.00000000 -0.70687694
|
|
24 0.00000000 0.00000000 0.25592308 0.02076218 0.00000000
|
|
25 -0.90433975 -0.36156831 0.00000000 0.00000000 -0.67297325
|
|
26 0.00000000 0.00000000 -0.07257732 0.89461769 0.00000000
|
|
27 0.00000000 0.00000000 0.40008519 0.03245756 0.00000000
|
|
28 0.10590809 -0.32994417 0.00000000 0.00000000 0.04786607
|
|
29 0.00000000 0.00000000 -0.03245756 0.40008519 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 -0.03800898 0.46851429 0.00000000
|
|
32 0.00000000 0.00000000 0.89461769 0.07257732 0.00000000
|
|
33 0.10590809 -0.32994417 0.00000000 0.00000000 0.04786607
|
|
34 0.00000000 0.00000000 0.46851429 0.03800898 0.00000000
|
|
35 0.16628947 -0.86364450 0.00000000 0.00000000 0.01753518
|
|
36 -0.04267692 -0.19752414 0.00000000 0.00000000 -1.74093893
|
|
37 2.05112196 0.13451536 0.00000000 0.00000000 -0.81678956
|
|
38 -1.93711645 1.30903078 0.00000000 0.00000000 4.05048597
|
|
39 3.28314106 -0.47679718 0.00000000 0.00000000 -0.27662711
|
|
40 0.00000000 0.00000000 0.05172681 -0.63760578 0.00000000
|
|
41 0.00000000 0.00000000 -0.63760578 -0.05172681 0.00000000
|
|
42 0.14070537 0.50408364 0.00000000 0.00000000 -0.07239856
|
|
43 0.00000000 0.00000000 -0.17627916 2.17288904 0.00000000
|
|
44 0.00000000 0.00000000 2.17288904 0.17627916 0.00000000
|
|
45 -1.44534352 -1.97098417 0.00000000 0.00000000 0.23813219
|
|
46 0.00000000 0.00000000 0.18753703 -2.31165816 0.00000000
|
|
47 0.00000000 0.00000000 -2.31165816 -0.18753703 0.00000000
|
|
48 -0.89683158 1.82705808 0.00000000 0.00000000 -0.52976439
|
|
49 0.00740617 -0.01349229 0.00000000 0.00000000 -0.02855371
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 -0.00138274 0.01704417 0.00000000
|
|
52 0.00740617 -0.01349229 0.00000000 0.00000000 -0.02855371
|
|
53 0.00000000 0.00000000 0.01704417 0.00138274 0.00000000
|
|
54 0.08069425 -0.00984926 0.00000000 0.00000000 -0.06791878
|
|
55 0.38136368 -0.03123018 0.00000000 0.00000000 -0.70687666
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 -0.02076218 0.25592310 0.00000000
|
|
58 0.38136368 -0.03123018 0.00000000 0.00000000 -0.70687666
|
|
59 0.00000000 0.00000000 0.25592310 0.02076218 0.00000000
|
|
60 0.90433985 -0.36156833 0.00000000 0.00000000 -0.67297234
|
|
61 0.00000000 0.00000000 0.07257733 -0.89461787 0.00000000
|
|
62 0.00000000 0.00000000 -0.40008528 -0.03245757 0.00000000
|
|
63 0.10590810 0.32994417 0.00000000 0.00000000 -0.04786597
|
|
64 0.00000000 0.00000000 0.03245757 -0.40008528 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.03800899 -0.46851437 0.00000000
|
|
67 0.00000000 0.00000000 -0.89461787 -0.07257733 0.00000000
|
|
68 0.10590810 0.32994417 0.00000000 0.00000000 -0.04786597
|
|
69 0.00000000 0.00000000 -0.46851437 -0.03800899 0.00000000
|
|
70 0.16628949 0.86364449 0.00000000 0.00000000 -0.01753505
|
|
11 12 13 14 15
|
|
1 0.01624038 -1.90815006 0.00000000 0.00000000 0.00000000
|
|
2 -5.66564699 -5.01345271 0.00000000 0.00000000 0.00000000
|
|
3 -29.11837896 6.52999608 0.00000000 0.00000000 0.00000000
|
|
4 -0.06101022 -1.96164524 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00856737 -1.39665038 0.00000000
|
|
6 0.00000000 0.00000000 -1.39665038 -0.00856737 0.00000000
|
|
7 0.24760761 0.35698225 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.03235846 5.27506408 0.00000000
|
|
9 0.00000000 0.00000000 5.27506408 0.03235846 0.00000000
|
|
10 -4.00301065 -3.21446728 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00578711 -0.94341270 0.00000000
|
|
12 0.00000000 0.00000000 -0.94341270 -0.00578711 0.00000000
|
|
13 -12.02867654 -0.36725451 0.00000000 0.00000000 0.00000000
|
|
14 0.01929530 -0.01593508 0.00000000 0.00000000 0.08277328
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00030377
|
|
16 0.00000000 0.00000000 -0.00004640 0.00756361 0.00000000
|
|
17 0.01929530 -0.01593508 0.00000000 0.00000000 -0.08277328
|
|
18 0.00000000 0.00000000 0.00756361 0.00004640 0.00000000
|
|
19 -0.19794162 -0.16516331 0.00000000 0.00000000 0.00000000
|
|
20 -0.10220807 -1.02953386 0.00000000 0.00000000 -0.53452279
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00196164
|
|
22 0.00000000 0.00000000 0.00006667 -0.01086818 0.00000000
|
|
23 -0.10220807 -1.02953386 0.00000000 0.00000000 0.53452279
|
|
24 0.00000000 0.00000000 -0.01086818 -0.00006667 0.00000000
|
|
25 -2.36842893 -2.15334093 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.01284536 -2.09404606 0.00000000
|
|
27 0.00000000 0.00000000 -0.93648587 -0.00574462 0.00000000
|
|
28 0.25032807 0.23658123 0.00000000 0.00000000 0.01900484
|
|
29 0.00000000 0.00000000 0.00574462 -0.93648587 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00006975
|
|
31 0.00000000 0.00000000 0.00571731 -0.93203341 0.00000000
|
|
32 0.00000000 0.00000000 -2.09404606 -0.01284536 0.00000000
|
|
33 0.25032807 0.23658123 0.00000000 0.00000000 -0.01900484
|
|
34 0.00000000 0.00000000 -0.93203341 -0.00571731 0.00000000
|
|
35 0.21368712 0.39537514 0.00000000 0.00000000 0.00000000
|
|
36 -0.01624009 1.90815067 0.00000000 0.00000000 0.00000000
|
|
37 5.66564707 5.01345292 0.00000000 0.00000000 0.00000000
|
|
38 29.11837830 -6.52999718 0.00000000 0.00000000 0.00000000
|
|
39 0.06101027 1.96164523 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00856737 -1.39665020 0.00000000
|
|
41 0.00000000 0.00000000 -1.39665020 -0.00856737 0.00000000
|
|
42 0.24760760 0.35698230 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.03235845 5.27506345 0.00000000
|
|
44 0.00000000 0.00000000 5.27506345 0.03235845 0.00000000
|
|
45 -4.00301058 -3.21446752 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00578711 -0.94341236 0.00000000
|
|
47 0.00000000 0.00000000 -0.94341236 -0.00578711 0.00000000
|
|
48 -12.02867658 -0.36725430 0.00000000 0.00000000 0.00000000
|
|
49 -0.01929529 0.01593509 0.00000000 0.00000000 0.08277328
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00030377
|
|
51 0.00000000 0.00000000 0.00004640 -0.00756361 0.00000000
|
|
52 -0.01929529 0.01593509 0.00000000 0.00000000 -0.08277328
|
|
53 0.00000000 0.00000000 -0.00756361 -0.00004640 0.00000000
|
|
54 0.19794163 0.16516333 0.00000000 0.00000000 0.00000000
|
|
55 0.10220817 1.02953408 0.00000000 0.00000000 -0.53452273
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00196164
|
|
57 0.00000000 0.00000000 -0.00006667 0.01086807 0.00000000
|
|
58 0.10220817 1.02953408 0.00000000 0.00000000 0.53452273
|
|
59 0.00000000 0.00000000 0.01086807 0.00006667 0.00000000
|
|
60 2.36842907 2.15334110 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.01284536 -2.09404581 0.00000000
|
|
62 0.00000000 0.00000000 -0.93648575 -0.00574462 0.00000000
|
|
63 0.25032806 0.23658127 0.00000000 0.00000000 -0.01900484
|
|
64 0.00000000 0.00000000 0.00574462 -0.93648575 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00006975
|
|
66 0.00000000 0.00000000 0.00571731 -0.93203327 0.00000000
|
|
67 0.00000000 0.00000000 -2.09404581 -0.01284536 0.00000000
|
|
68 0.25032806 0.23658127 0.00000000 0.00000000 0.01900484
|
|
69 0.00000000 0.00000000 -0.93203327 -0.00571731 0.00000000
|
|
70 0.21368708 0.39537521 0.00000000 0.00000000 0.00000000
|
|
16 17 18 19 20
|
|
1 0.00000000 -0.04985511 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 0.54297328 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 1.50318110 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 -0.38283706 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.15164975 -1.28992960 0.11574231
|
|
6 0.00000000 0.00000000 -1.28992960 -0.15164975 0.23841828
|
|
7 0.00000000 -0.99273272 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.48535948 4.12845756 -0.54410853
|
|
9 0.00000000 0.00000000 4.12845756 0.48535948 -1.12081240
|
|
10 0.00000000 4.26211584 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.26939010 -2.29142652 0.09323821
|
|
12 0.00000000 0.00000000 -2.29142652 -0.26939010 0.19206195
|
|
13 0.00000000 -1.80162874 0.00000000 0.00000000 0.00000000
|
|
14 -0.00026307 -0.04165619 0.00000000 0.00000000 0.00000000
|
|
15 -0.09557835 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00709068 -0.06031315 -0.05399244
|
|
17 0.00026307 -0.04165619 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 -0.06031315 -0.00709068 -0.11121934
|
|
19 0.00000000 -0.02870242 0.00000000 0.00000000 0.00000000
|
|
20 0.00169883 -0.13295878 0.00000000 0.00000000 0.00000000
|
|
21 0.61721375 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.14830191 -1.26145295 0.38485405
|
|
23 -0.00169883 -0.13295878 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 -1.26145295 -0.14830191 0.79276315
|
|
25 0.00000000 -1.38083103 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.21340238 -1.81519612 0.15431224
|
|
27 0.00000000 0.00000000 -0.81178038 -0.09543644 0.14215521
|
|
28 -0.00006040 -0.66953406 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.09543644 -0.81178038 0.06901053
|
|
30 -0.02194490 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.12576568 -1.06976026 0.08578470
|
|
32 0.00000000 0.00000000 -1.81519612 -0.21340238 0.31786871
|
|
33 0.00006040 -0.66953406 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 -1.06976026 -0.12576568 0.17670841
|
|
35 0.00000000 -1.88707967 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 -0.04985525 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.54297374 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 1.50318266 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 -0.38283704 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 -0.15164977 1.28992978 0.11574239
|
|
41 0.00000000 0.00000000 1.28992978 0.15164977 0.23841843
|
|
42 0.00000000 0.99273275 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.48535956 -4.12845818 -0.54410879
|
|
44 0.00000000 0.00000000 -4.12845818 -0.48535956 -1.12081293
|
|
45 0.00000000 -4.26211619 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 -0.26939011 2.29142660 0.09323828
|
|
47 0.00000000 0.00000000 2.29142660 0.26939011 0.19206209
|
|
48 0.00000000 1.80162813 0.00000000 0.00000000 0.00000000
|
|
49 -0.00026307 -0.04165619 0.00000000 0.00000000 0.00000000
|
|
50 -0.09557835 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00709068 -0.06031315 0.05399243
|
|
52 0.00026307 -0.04165619 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 -0.06031315 -0.00709068 0.11121934
|
|
54 0.00000000 -0.02870241 0.00000000 0.00000000 0.00000000
|
|
55 0.00169883 -0.13295880 0.00000000 0.00000000 0.00000000
|
|
56 0.61721368 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.14830190 -1.26145288 -0.38485407
|
|
58 -0.00169883 -0.13295880 0.00000000 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 -1.26145288 -0.14830190 -0.79276319
|
|
60 0.00000000 -1.38083081 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 -0.21340241 1.81519638 0.15431234
|
|
62 0.00000000 0.00000000 0.81178050 0.09543646 0.14215530
|
|
63 0.00006040 0.66953409 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 -0.09543646 0.81178050 0.06901058
|
|
65 0.02194490 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 -0.12576570 1.06976037 0.08578475
|
|
67 0.00000000 0.00000000 1.81519638 0.21340241 0.31786892
|
|
68 -0.00006040 0.66953409 0.00000000 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 1.06976037 0.12576570 0.17670852
|
|
70 0.00000000 1.88707969 0.00000000 0.00000000 0.00000000
|
|
21 22 23 24 25
|
|
1 0.00000000 0.00000000 0.00000000 -0.25110079 -0.94831717
|
|
2 0.00000000 0.00000000 0.00000000 14.06024309 -0.80397124
|
|
3 0.00000000 0.00000000 0.00000000 18.82248495 3.58633936
|
|
4 0.00000000 0.00000000 0.00000000 0.99734579 -0.20521823
|
|
5 0.23841828 0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 -0.11574231 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 -0.77700768 -0.33223463
|
|
8 -1.12081240 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.54410853 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 10.70440842 1.22550632
|
|
11 0.19206195 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 -0.09323821 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 9.44445664 0.75625702
|
|
14 0.00000000 -0.09317871 0.00005391 -0.02690922 -0.03515711
|
|
15 0.00000000 0.00006225 0.10759351 0.00000000 0.00000000
|
|
16 -0.11121934 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.09317871 -0.00005391 -0.02690922 -0.03515711
|
|
18 0.05399244 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.53110736 -0.14766413
|
|
20 0.00000000 1.05422583 -0.00060996 0.56345300 -1.49630544
|
|
21 0.00000000 -0.00070432 -1.21731514 0.00000000 0.00000000
|
|
22 0.79276315 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 -1.05422583 0.00060996 0.56345300 -1.49630544
|
|
24 -0.38485405 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 6.21700663 -0.10413256
|
|
26 0.31786871 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 -0.06901053 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.08451284 -0.00004890 -0.68384291 -0.22335445
|
|
29 0.14215521 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 -0.00005646 -0.09758702 0.00000000 0.00000000
|
|
31 0.17670841 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 -0.15431224 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 -0.08451284 0.00004890 -0.68384291 -0.22335445
|
|
34 -0.08578470 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 -0.74314870 -0.51575363
|
|
36 0.00000000 0.00000000 0.00000000 0.25110090 -0.94831701
|
|
37 0.00000000 0.00000000 0.00000000 -14.06024308 -0.80397200
|
|
38 0.00000000 0.00000000 0.00000000 -18.82248519 3.58633542
|
|
39 0.00000000 0.00000000 0.00000000 -0.99734580 -0.20521802
|
|
40 0.23841843 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 -0.11574239 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 -0.77700759 0.33223463
|
|
43 -1.12081293 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.54410879 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 10.70440806 -1.22550585
|
|
46 0.19206209 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 -0.09323828 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 9.44445675 -0.75625574
|
|
49 0.00000000 0.09317872 -0.00005391 0.02690922 -0.03515710
|
|
50 0.00000000 -0.00006225 -0.10759352 0.00000000 0.00000000
|
|
51 0.11121934 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 -0.09317872 0.00005391 0.02690922 -0.03515710
|
|
53 -0.05399243 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 -0.53110735 -0.14766415
|
|
55 0.00000000 -1.05422587 0.00060996 -0.56345291 -1.49630513
|
|
56 0.00000000 0.00070432 1.21731518 0.00000000 0.00000000
|
|
57 -0.79276319 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 1.05422587 -0.00060996 -0.56345291 -1.49630513
|
|
59 0.38485407 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 -6.21700660 -0.10413277
|
|
61 0.31786892 0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 -0.06901058 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.08451284 -0.00004890 -0.68384285 0.22335443
|
|
64 0.14215530 0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 -0.00005646 -0.09758702 0.00000000 0.00000000
|
|
66 0.17670852 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 -0.15431234 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00000000 -0.08451284 0.00004890 -0.68384285 0.22335443
|
|
69 -0.08578475 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 -0.74314856 0.51575365
|
|
26 27 28 29 30
|
|
1 -0.79172493 0.00000000 0.00000000 -0.77855617 0.00000000
|
|
2 -0.69825479 0.00000000 0.00000000 4.22031202 0.00000000
|
|
3 13.51527721 0.00000000 0.00000000 1.03576318 0.00000000
|
|
4 -1.25938720 0.00000000 0.00000000 0.06413549 0.00000000
|
|
5 0.00000000 -0.91698360 2.35919675 0.00000000 0.06624061
|
|
6 0.00000000 2.35919675 0.91698360 0.00000000 -2.63509920
|
|
7 0.29184245 0.00000000 0.00000000 2.23670481 0.00000000
|
|
8 0.00000000 4.41250601 -11.35240577 0.00000000 -0.20481334
|
|
9 0.00000000 -11.35240577 -4.41250601 0.00000000 8.14762280
|
|
10 -1.38441814 0.00000000 0.00000000 -7.73707148 0.00000000
|
|
11 0.00000000 0.31294219 -0.80513131 0.00000000 0.01913152
|
|
12 0.00000000 -0.80513131 -0.31294219 0.00000000 -0.76106577
|
|
13 3.37093921 0.00000000 0.00000000 -0.93733848 0.00000000
|
|
14 -0.04420133 0.00000000 0.00000000 -0.10372129 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.04213380 -0.10840099 0.00000000 0.00033817
|
|
17 -0.04420133 0.00000000 0.00000000 -0.10372129 0.00000000
|
|
18 0.00000000 -0.10840099 -0.04213380 0.00000000 -0.01345281
|
|
19 -0.09829185 0.00000000 0.00000000 0.03538428 0.00000000
|
|
20 -1.80600919 0.00000000 0.00000000 0.25337315 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 1.38802598 -3.57108503 0.00000000 -0.00128518
|
|
23 -1.80600919 0.00000000 0.00000000 0.25337315 0.00000000
|
|
24 0.00000000 -3.57108503 -1.38802598 0.00000000 0.05112542
|
|
25 -0.99867154 0.00000000 0.00000000 -4.05534528 0.00000000
|
|
26 0.00000000 -1.32996678 3.42171150 0.00000000 0.10035734
|
|
27 0.00000000 1.53023590 0.59477923 0.00000000 -1.78540521
|
|
28 0.10639813 0.00000000 0.00000000 1.43392652 0.00000000
|
|
29 0.00000000 -0.59477923 1.53023590 0.00000000 0.04488117
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 -0.37559100 0.96631290 0.00000000 0.04425382
|
|
32 0.00000000 3.42171150 1.32996678 0.00000000 -3.99228741
|
|
33 0.10639813 0.00000000 0.00000000 1.43392652 0.00000000
|
|
34 0.00000000 0.96631290 0.37559100 0.00000000 -1.76044899
|
|
35 0.38861885 0.00000000 0.00000000 2.48116864 0.00000000
|
|
36 0.79172499 0.00000000 0.00000000 -0.77855627 0.00000000
|
|
37 0.69825553 0.00000000 0.00000000 4.22031168 0.00000000
|
|
38 -13.51527763 0.00000000 0.00000000 1.03576489 0.00000000
|
|
39 1.25938723 0.00000000 0.00000000 0.06413528 0.00000000
|
|
40 0.00000000 0.91698362 -2.35919682 0.00000000 0.06624060
|
|
41 0.00000000 -2.35919682 -0.91698362 0.00000000 -2.63509888
|
|
42 0.29184210 0.00000000 0.00000000 -2.23670487 0.00000000
|
|
43 0.00000000 -4.41250609 11.35240597 0.00000000 -0.20481332
|
|
44 0.00000000 11.35240597 4.41250609 0.00000000 8.14762166
|
|
45 -1.38441690 0.00000000 0.00000000 7.73707189 0.00000000
|
|
46 0.00000000 -0.31294218 0.80513129 0.00000000 0.01913152
|
|
47 0.00000000 0.80513129 0.31294218 0.00000000 -0.76106568
|
|
48 3.37093951 0.00000000 0.00000000 0.93733813 0.00000000
|
|
49 0.04420132 0.00000000 0.00000000 -0.10372130 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.04213380 -0.10840099 0.00000000 -0.00033817
|
|
52 0.04420132 0.00000000 0.00000000 -0.10372130 0.00000000
|
|
53 0.00000000 -0.10840099 -0.04213380 0.00000000 0.01345281
|
|
54 0.09829188 0.00000000 0.00000000 0.03538426 0.00000000
|
|
55 1.80600948 0.00000000 0.00000000 0.25337286 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 1.38802599 -3.57108505 0.00000000 0.00128518
|
|
58 1.80600948 0.00000000 0.00000000 0.25337286 0.00000000
|
|
59 0.00000000 -3.57108505 -1.38802599 0.00000000 -0.05112532
|
|
60 0.99867092 0.00000000 0.00000000 -4.05534555 0.00000000
|
|
61 0.00000000 1.32996682 -3.42171160 0.00000000 0.10035733
|
|
62 0.00000000 -1.53023595 -0.59477924 0.00000000 -1.78540500
|
|
63 0.10639790 0.00000000 0.00000000 -1.43392655 0.00000000
|
|
64 0.00000000 0.59477924 -1.53023595 0.00000000 0.04488116
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.37559102 -0.96631294 0.00000000 0.04425382
|
|
67 0.00000000 -3.42171160 -1.32996682 0.00000000 -3.99228695
|
|
68 0.10639790 0.00000000 0.00000000 -1.43392655 0.00000000
|
|
69 0.00000000 -0.96631294 -0.37559102 0.00000000 -1.76044879
|
|
70 0.38861845 0.00000000 0.00000000 -2.48116871 0.00000000
|
|
31 32 33 34 35
|
|
1 0.00000000 -0.15616340 0.00000000 0.00000000 -1.76185341
|
|
2 0.00000000 -0.75620816 0.00000000 0.00000000 -22.93738462
|
|
3 0.00000000 1.33204123 0.00000000 0.00000000 -11.70764208
|
|
4 0.00000000 -0.20210044 0.00000000 0.00000000 -0.29134212
|
|
5 2.63509920 0.00000000 -1.13334971 -4.07837413 0.00000000
|
|
6 0.06624061 0.00000000 4.07837413 -1.13334971 0.00000000
|
|
7 0.00000000 -3.28847295 0.00000000 0.00000000 1.56972426
|
|
8 -8.14762280 0.00000000 3.70533390 13.33369376 0.00000000
|
|
9 -0.20481334 0.00000000 -13.33369376 3.70533390 0.00000000
|
|
10 0.00000000 10.99412345 0.00000000 0.00000000 -20.70043344
|
|
11 0.76106577 0.00000000 -0.39342125 -1.41573165 0.00000000
|
|
12 0.01913152 0.00000000 1.41573165 -0.39342125 0.00000000
|
|
13 0.00000000 -0.99168998 0.00000000 0.00000000 -7.06879732
|
|
14 0.00000000 -0.03183384 0.00000000 0.00000000 0.06192904
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.01345281 0.00000000 -0.01540536 -0.05543638 0.00000000
|
|
17 0.00000000 -0.03183384 0.00000000 0.00000000 0.06192904
|
|
18 0.00033817 0.00000000 0.05543638 -0.01540536 0.00000000
|
|
19 0.00000000 -0.09773288 0.00000000 0.00000000 -0.96278492
|
|
20 0.00000000 -0.52657149 0.00000000 0.00000000 -1.01442735
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -0.05112542 0.00000000 0.14794169 0.53237016 0.00000000
|
|
23 0.00000000 -0.52657149 0.00000000 0.00000000 -1.01442735
|
|
24 -0.00128518 0.00000000 -0.53237016 0.14794169 0.00000000
|
|
25 0.00000000 0.34354169 0.00000000 0.00000000 -8.34081046
|
|
26 3.99228741 0.00000000 -1.62745088 -5.85640383 0.00000000
|
|
27 0.04488117 0.00000000 2.61906341 -0.72781816 0.00000000
|
|
28 0.00000000 -2.17792450 0.00000000 0.00000000 1.28682992
|
|
29 1.78540521 0.00000000 -0.72781816 -2.61906341 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 1.76044899 0.00000000 -0.77200149 -2.77805771 0.00000000
|
|
32 0.10035734 0.00000000 5.85640383 -1.62745088 0.00000000
|
|
33 0.00000000 -2.17792450 0.00000000 0.00000000 1.28682992
|
|
34 0.04425382 0.00000000 2.77805771 -0.77200149 0.00000000
|
|
35 0.00000000 -5.19862914 0.00000000 0.00000000 1.57812368
|
|
36 0.00000000 -0.15616329 0.00000000 0.00000000 1.76185338
|
|
37 0.00000000 -0.75620698 0.00000000 0.00000000 22.93738469
|
|
38 0.00000000 1.33204204 0.00000000 0.00000000 11.70764206
|
|
39 0.00000000 -0.20210044 0.00000000 0.00000000 0.29134214
|
|
40 2.63509888 0.00000000 1.13334975 4.07837428 0.00000000
|
|
41 0.06624060 0.00000000 -4.07837428 1.13334975 0.00000000
|
|
42 0.00000000 3.28847301 0.00000000 0.00000000 1.56972408
|
|
43 -8.14762166 0.00000000 -3.70533403 -13.33369421 0.00000000
|
|
44 -0.20481332 0.00000000 13.33369421 -3.70533403 0.00000000
|
|
45 0.00000000 -10.99412446 0.00000000 0.00000000 -20.70043285
|
|
46 0.76106568 0.00000000 0.39342126 1.41573169 0.00000000
|
|
47 0.01913152 0.00000000 -1.41573169 0.39342126 0.00000000
|
|
48 0.00000000 0.99168954 0.00000000 0.00000000 -7.06879735
|
|
49 0.00000000 -0.03183384 0.00000000 0.00000000 -0.06192904
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.01345281 0.00000000 -0.01540536 -0.05543639 0.00000000
|
|
52 0.00000000 -0.03183384 0.00000000 0.00000000 -0.06192904
|
|
53 -0.00033817 0.00000000 0.05543639 -0.01540536 0.00000000
|
|
54 0.00000000 -0.09773284 0.00000000 0.00000000 0.96278493
|
|
55 0.00000000 -0.52657146 0.00000000 0.00000000 1.01442737
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.05112532 0.00000000 0.14794169 0.53237017 0.00000000
|
|
58 0.00000000 -0.52657146 0.00000000 0.00000000 1.01442737
|
|
59 0.00128518 0.00000000 -0.53237017 0.14794169 0.00000000
|
|
60 0.00000000 0.34354211 0.00000000 0.00000000 8.34081041
|
|
61 3.99228695 0.00000000 1.62745095 5.85640406 0.00000000
|
|
62 0.04488116 0.00000000 -2.61906352 0.72781819 0.00000000
|
|
63 0.00000000 2.17792456 0.00000000 0.00000000 1.28682980
|
|
64 1.78540500 0.00000000 0.72781819 2.61906352 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 1.76044879 0.00000000 0.77200152 2.77805781 0.00000000
|
|
67 0.10035733 0.00000000 -5.85640406 1.62745095 0.00000000
|
|
68 0.00000000 2.17792456 0.00000000 0.00000000 1.28682980
|
|
69 0.04425382 0.00000000 -2.77805781 0.77200152 0.00000000
|
|
70 0.00000000 5.19862920 0.00000000 0.00000000 1.57812341
|
|
36 37 38 39 40
|
|
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 0.00000000 0.00000000 -0.09676632 0.00266347 0.00000000
|
|
15 0.00000000 0.00000000 -0.00307551 -0.11173612 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.09676632 -0.00266347 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 0.00000000 0.00000000 0.13146460 -0.00361853 0.00000000
|
|
21 0.00000000 0.00000000 0.00417832 0.15180225 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.13146460 0.00361853 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 -0.01500621 0.49108896 0.00000000 0.00000000 -0.63231160
|
|
27 -0.65886498 -0.02013294 0.00000000 0.00000000 -0.27876456
|
|
28 0.00000000 0.00000000 -0.50680160 0.01394960 0.00000000
|
|
29 0.02013294 -0.65886498 0.00000000 0.00000000 0.84833504
|
|
30 0.00000000 0.00000000 -0.01610761 -0.58520408 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.49108896 0.01500621 0.00000000 0.00000000 0.20777884
|
|
33 0.00000000 0.00000000 0.50680160 -0.01394960 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 0.00000000 0.00000000 -0.09676631 0.00266347 0.00000000
|
|
50 0.00000000 0.00000000 -0.00307551 -0.11173612 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.09676631 -0.00266347 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 0.00000000 0.00000000 0.13146461 -0.00361853 0.00000000
|
|
56 0.00000000 0.00000000 0.00417832 0.15180226 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 -0.13146461 0.00361853 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 -0.01500620 0.49108895 0.00000000 0.00000000 0.63231162
|
|
62 -0.65886496 -0.02013294 0.00000000 0.00000000 0.27876457
|
|
63 0.00000000 0.00000000 0.50680158 -0.01394960 0.00000000
|
|
64 0.02013294 -0.65886496 0.00000000 0.00000000 -0.84833505
|
|
65 0.00000000 0.00000000 0.01610761 0.58520406 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.49108895 0.01500620 0.00000000 0.00000000 -0.20777884
|
|
68 0.00000000 0.00000000 -0.50680158 0.01394960 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 42 43 44 45
|
|
1 0.00000000 0.00000000 0.00000000 3.75837102 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 -5.28410533 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 -2.78549157 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 -0.92797111 0.00000000
|
|
5 0.00000000 -0.50136035 1.33795430 0.00000000 0.00000000
|
|
6 0.00000000 1.33795430 0.50136035 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 -2.27824460 0.00000000
|
|
8 0.00000000 3.04374812 -8.12269231 0.00000000 0.00000000
|
|
9 0.00000000 -8.12269231 -3.04374812 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 6.14131998 0.00000000
|
|
11 0.00000000 0.34208094 -0.91289362 0.00000000 0.00000000
|
|
12 0.00000000 -0.91289362 -0.34208094 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.86178463 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 0.21123948 0.26793511
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00011262
|
|
16 0.00000000 0.13076631 -0.34896925 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 0.21123948 -0.26793511
|
|
18 0.00000000 -0.34896925 -0.13076631 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 -0.06623570 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.02231815 -0.87583486
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00036813
|
|
22 0.00000000 1.18040738 -3.15009180 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 0.02231815 0.87583486
|
|
24 0.00000000 -3.15009180 -1.18040738 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 3.97263505 0.00000000
|
|
26 -0.20777884 -0.95524593 2.54921513 0.00000000 0.00000000
|
|
27 0.84833504 1.14004366 0.42719897 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 -1.53553762 -0.96918630
|
|
29 0.27876456 -0.42719897 1.14004366 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00040737
|
|
31 0.00000000 0.28826422 -0.76927573 0.00000000 0.00000000
|
|
32 -0.63231160 2.54921513 0.95524593 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 -1.53553762 0.96918630
|
|
34 0.00000000 -0.76927573 -0.28826422 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 -0.63459389 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 3.75837102 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 -5.28410567 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 -2.78549186 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 -0.92797111 0.00000000
|
|
40 0.00000000 0.50136035 -1.33795430 0.00000000 0.00000000
|
|
41 0.00000000 -1.33795430 -0.50136035 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 2.27824457 0.00000000
|
|
43 0.00000000 -3.04374814 8.12269236 0.00000000 0.00000000
|
|
44 -0.00000000 8.12269236 3.04374814 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 -6.14131963 0.00000000
|
|
46 0.00000000 -0.34208094 0.91289361 0.00000000 0.00000000
|
|
47 0.00000000 0.91289361 0.34208094 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 -0.86178450 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.21123949 -0.26793505
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00011262
|
|
51 0.00000000 0.13076632 -0.34896928 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.21123949 0.26793505
|
|
53 0.00000000 -0.34896928 -0.13076632 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 -0.06623572 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 0.02231817 0.87583483
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00036813
|
|
57 0.00000000 1.18040737 -3.15009176 0.00000000 0.00000000
|
|
58 0.00000000 0.00000000 0.00000000 0.02231817 -0.87583483
|
|
59 0.00000000 -3.15009176 -1.18040737 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 3.97263494 0.00000000
|
|
61 0.20777884 0.95524593 -2.54921514 0.00000000 0.00000000
|
|
62 -0.84833505 -1.14004367 -0.42719897 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 1.53553755 -0.96918629
|
|
64 -0.27876457 0.42719897 -1.14004367 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00040737
|
|
66 0.00000000 -0.28826421 0.76927569 0.00000000 0.00000000
|
|
67 0.63231162 -2.54921514 -0.95524593 0.00000000 0.00000000
|
|
68 0.00000000 0.00000000 0.00000000 1.53553755 0.96918629
|
|
69 0.00000000 0.76927569 0.28826421 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.63459388 0.00000000
|
|
46 47 48 49 50
|
|
1 0.00000000 1.55547321 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 -13.34478436 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 -11.65952619 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 -0.25607138 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 -0.22357719 0.22329523 0.00000000
|
|
6 0.00000000 0.00000000 -0.22329523 -0.22357719 0.00000000
|
|
7 0.00000000 1.02793187 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 1.06867756 -1.06732978 0.00000000
|
|
9 0.00000000 0.00000000 1.06732978 1.06867756 0.00000000
|
|
10 0.00000000 -12.95022794 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 -0.10992110 0.10978247 0.00000000
|
|
12 0.00000000 0.00000000 -0.10978247 -0.10992110 0.00000000
|
|
13 0.00000000 -4.48868854 0.00000000 0.00000000 0.00000000
|
|
14 0.00009753 0.05619491 0.00000000 0.00000000 -0.00028165
|
|
15 -0.30938482 0.00000000 0.00000000 0.00000000 0.83786768
|
|
16 0.00000000 0.00000000 0.58823268 -0.58749082 0.00000000
|
|
17 -0.00009753 0.05619491 0.00000000 0.00000000 0.00028165
|
|
18 0.00000000 0.00000000 0.58749082 0.58823268 0.00000000
|
|
19 0.00000000 -0.88518336 0.00000000 0.00000000 0.00000000
|
|
20 -0.00031881 0.56666320 0.00000000 0.00000000 0.00011281
|
|
21 1.01132698 0.00000000 0.00000000 0.00000000 -0.33559481
|
|
22 0.00000000 0.00000000 -0.43291347 0.43236749 0.00000000
|
|
23 0.00031881 0.56666320 0.00000000 0.00000000 -0.00011281
|
|
24 0.00000000 0.00000000 -0.43236749 -0.43291347 0.00000000
|
|
25 0.00000000 -4.03936265 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 -0.36190560 0.36144917 0.00000000
|
|
27 0.00000000 0.00000000 -0.16164498 -0.16184910 0.00000000
|
|
28 -0.00035279 1.98507124 0.00000000 0.00000000 0.00007359
|
|
29 0.00000000 0.00000000 -0.16184910 0.16164498 0.00000000
|
|
30 1.11911994 0.00000000 0.00000000 0.00000000 -0.21892291
|
|
31 0.00000000 0.00000000 -0.44072519 0.44016936 0.00000000
|
|
32 0.00000000 0.00000000 -0.36144917 -0.36190560 0.00000000
|
|
33 0.00035279 1.98507124 0.00000000 0.00000000 -0.00007359
|
|
34 0.00000000 0.00000000 -0.44016936 -0.44072519 0.00000000
|
|
35 0.00000000 0.82205733 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 -1.55547290 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 13.34478413 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 11.65952597 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.25607131 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 -0.22357718 0.22329521 0.00000000
|
|
41 0.00000000 0.00000000 -0.22329521 -0.22357718 0.00000000
|
|
42 0.00000000 1.02793195 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 1.06867738 -1.06732960 0.00000000
|
|
44 0.00000000 0.00000000 1.06732960 1.06867738 0.00000000
|
|
45 0.00000000 -12.95022814 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 -0.10992114 0.10978251 0.00000000
|
|
47 0.00000000 0.00000000 -0.10978251 -0.10992114 0.00000000
|
|
48 0.00000000 -4.48868856 0.00000000 0.00000000 0.00000000
|
|
49 -0.00009753 -0.05619492 0.00000000 0.00000000 -0.00028165
|
|
50 0.30938475 0.00000000 0.00000000 0.00000000 0.83786769
|
|
51 0.00000000 0.00000000 -0.58823266 0.58749080 0.00000000
|
|
52 0.00009753 -0.05619492 0.00000000 0.00000000 0.00028165
|
|
53 0.00000000 0.00000000 -0.58749080 -0.58823266 0.00000000
|
|
54 0.00000000 0.88518336 0.00000000 0.00000000 0.00000000
|
|
55 0.00031881 -0.56666317 0.00000000 0.00000000 0.00011281
|
|
56 -1.01132695 0.00000000 0.00000000 0.00000000 -0.33559489
|
|
57 0.00000000 0.00000000 0.43291357 -0.43236759 0.00000000
|
|
58 -0.00031881 -0.56666317 0.00000000 0.00000000 -0.00011281
|
|
59 0.00000000 0.00000000 0.43236759 0.43291357 0.00000000
|
|
60 0.00000000 4.03936281 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 -0.36190555 0.36144913 0.00000000
|
|
62 0.00000000 0.00000000 -0.16164497 -0.16184908 0.00000000
|
|
63 -0.00035279 1.98507129 0.00000000 0.00000000 -0.00007359
|
|
64 0.00000000 0.00000000 -0.16184908 0.16164497 0.00000000
|
|
65 1.11911993 0.00000000 0.00000000 0.00000000 0.21892301
|
|
66 0.00000000 0.00000000 -0.44072524 0.44016941 0.00000000
|
|
67 0.00000000 0.00000000 -0.36144913 -0.36190555 0.00000000
|
|
68 0.00035279 1.98507129 0.00000000 0.00000000 0.00007359
|
|
69 0.00000000 0.00000000 -0.44016941 -0.44072524 0.00000000
|
|
70 0.00000000 0.82205734 0.00000000 0.00000000 0.00000000
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 5.17970281 5.94283569
|
|
2 0.00000000 0.00000000 0.00000000 -2.24814665 -0.39198235
|
|
3 0.00000000 0.00000000 0.00000000 -3.51137897 -4.32764778
|
|
4 0.00000000 0.00000000 0.00000000 -1.41474801 -1.54164753
|
|
5 0.00000000 0.13268736 1.20121535 0.00000000 0.00000000
|
|
6 0.00000000 -1.20121535 0.13268736 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 -1.55139966 1.46958351
|
|
8 0.00000000 -0.39435779 -3.57011132 0.00000000 0.00000000
|
|
9 0.00000000 3.57011132 -0.39435779 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 6.66371684 -7.35817536
|
|
11 0.00000000 0.02260668 0.20465771 0.00000000 0.00000000
|
|
12 0.00000000 -0.20465771 0.02260668 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 -0.57418566 0.06783426
|
|
14 0.72561470 0.00000000 0.00000000 -0.37215739 -0.38929248
|
|
15 0.00032522 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.01592809 0.14419659 0.00000000 0.00000000
|
|
17 -0.72561470 0.00000000 0.00000000 -0.37215739 -0.38929248
|
|
18 0.00000000 -0.14419659 0.01592809 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.34701489 0.30272511
|
|
20 -0.29063363 0.00000000 0.00000000 0.50190885 0.78349591
|
|
21 -0.00013026 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 -0.04745086 -0.42957145 0.00000000 0.00000000
|
|
23 0.29063363 0.00000000 0.00000000 0.50190885 0.78349591
|
|
24 0.00000000 0.42957145 -0.04745086 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 1.02418334 -0.64200610
|
|
26 0.00000000 0.28594034 2.58861084 0.00000000 0.00000000
|
|
27 0.00000000 -1.15766196 0.12787641 0.00000000 0.00000000
|
|
28 -0.18959280 0.00000000 0.00000000 -1.57440198 1.80811535
|
|
29 0.00000000 0.12787641 1.15766196 0.00000000 0.00000000
|
|
30 -0.00008497 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 -0.02221645 -0.20112499 0.00000000 0.00000000
|
|
32 0.00000000 -2.58861084 0.28594034 0.00000000 0.00000000
|
|
33 0.18959280 0.00000000 0.00000000 -1.57440198 1.80811535
|
|
34 0.00000000 0.20112499 -0.02221645 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 -2.86111124 3.40886492
|
|
36 0.00000000 0.00000000 0.00000000 5.17970264 5.94283473
|
|
37 0.00000000 0.00000000 0.00000000 -2.24814668 -0.39198581
|
|
38 0.00000000 0.00000000 0.00000000 -3.51137886 -4.32764791
|
|
39 0.00000000 0.00000000 0.00000000 -1.41474796 -1.54164740
|
|
40 0.00000000 0.13268736 1.20121534 0.00000000 0.00000000
|
|
41 0.00000000 -1.20121534 0.13268736 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 1.55139967 -1.46958411
|
|
43 0.00000000 -0.39435779 -3.57011131 0.00000000 0.00000000
|
|
44 0.00000000 3.57011131 -0.39435779 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 -6.66371678 7.35817954
|
|
46 0.00000000 0.02260668 0.20465769 0.00000000 0.00000000
|
|
47 0.00000000 -0.20465769 0.02260668 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 0.57418566 -0.06783370
|
|
49 0.72561470 0.00000000 0.00000000 -0.37215737 -0.38929239
|
|
50 0.00032522 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 -0.01592809 -0.14419658 0.00000000 0.00000000
|
|
52 -0.72561470 0.00000000 0.00000000 -0.37215737 -0.38929239
|
|
53 0.00000000 0.14419658 -0.01592809 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.34701489 0.30272483
|
|
55 -0.29063370 0.00000000 0.00000000 0.50190885 0.78349563
|
|
56 -0.00013026 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.04745086 0.42957149 0.00000000 0.00000000
|
|
58 0.29063370 0.00000000 0.00000000 0.50190885 0.78349563
|
|
59 0.00000000 -0.42957149 0.04745086 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 1.02418333 -0.64200739
|
|
61 0.00000000 0.28594034 2.58861082 0.00000000 0.00000000
|
|
62 0.00000000 -1.15766195 0.12787641 0.00000000 0.00000000
|
|
63 0.18959289 0.00000000 0.00000000 1.57440195 -1.80811576
|
|
64 0.00000000 0.12787641 1.15766195 0.00000000 0.00000000
|
|
65 0.00008497 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 -0.02221646 -0.20112502 0.00000000 0.00000000
|
|
67 0.00000000 -2.58861082 0.28594034 0.00000000 0.00000000
|
|
68 -0.18959289 0.00000000 0.00000000 1.57440195 -1.80811576
|
|
69 0.00000000 0.20112502 -0.02221646 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 2.86111124 -3.40886551
|
|
56 57 58 59 60
|
|
1 0.00000000 0.00000000 -5.02452573 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -24.06550820 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -2.28504065 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 0.52688141 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.02768067 0.43236152
|
|
6 0.00000000 0.00000000 0.00000000 -0.43236152 0.02768067
|
|
7 0.00000000 0.00000000 4.19253463 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 -0.31977882 -4.99482317
|
|
9 0.00000000 0.00000000 0.00000000 4.99482317 -0.31977882
|
|
10 0.00000000 0.00000000 -28.79121315 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 0.02222684 0.34717473
|
|
12 0.00000000 0.00000000 0.00000000 -0.34717473 0.02222684
|
|
13 0.00000000 0.00000000 -4.02783819 0.00000000 0.00000000
|
|
14 0.00233579 0.80648072 0.43736792 0.00000000 0.00000000
|
|
15 -0.93124373 0.00269714 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -0.00098754 -0.01542495
|
|
17 -0.00233579 -0.80648072 0.43736792 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.01542495 -0.00098754
|
|
19 0.00000000 0.00000000 -2.05996611 0.00000000 0.00000000
|
|
20 0.00013460 0.04647183 -1.88143493 0.00000000 0.00000000
|
|
21 -0.05366104 0.00015542 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00634993 0.09918344
|
|
23 -0.00013460 -0.04647183 -1.88143493 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 -0.09918344 0.00634993
|
|
25 0.00000000 0.00000000 -8.80702987 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.17291253 2.70082774
|
|
27 0.00000000 0.00000000 0.00000000 -1.20784688 0.07732883
|
|
28 0.00215121 0.74275079 2.70298338 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 0.07732883 1.20784688
|
|
30 -0.85765474 0.00248400 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.10383352 1.62183992
|
|
32 0.00000000 0.00000000 0.00000000 -2.70082774 0.17291253
|
|
33 -0.00215121 -0.74275079 2.70298338 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 -1.62183992 0.10383352
|
|
35 0.00000000 0.00000000 4.18670286 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 5.02452669 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 24.06550812 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 2.28503997 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 -0.52688166 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.02768058 0.43236009
|
|
41 0.00000000 0.00000000 0.00000000 -0.43236009 0.02768058
|
|
42 0.00000000 0.00000000 4.19253443 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 -0.31977834 -4.99481580
|
|
44 0.00000000 0.00000000 0.00000000 4.99481580 -0.31977834
|
|
45 0.00000000 0.00000000 -28.79121213 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.02222681 0.34717423
|
|
47 0.00000000 0.00000000 0.00000000 -0.34717423 0.02222681
|
|
48 0.00000000 0.00000000 -4.02783819 0.00000000 0.00000000
|
|
49 -0.00233579 -0.80648074 -0.43736798 0.00000000 0.00000000
|
|
50 0.93124374 -0.00269714 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00098755 0.01542511
|
|
52 0.00233579 0.80648074 -0.43736798 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.01542511 0.00098755
|
|
54 0.00000000 0.00000000 2.05996615 0.00000000 0.00000000
|
|
55 -0.00013460 -0.04647182 1.88143504 0.00000000 0.00000000
|
|
56 0.05366103 -0.00015542 0.00000000 0.00000000 0.00000000
|
|
57 0.00000000 0.00000000 0.00000000 -0.00634995 -0.09918384
|
|
58 0.00013460 0.04647182 1.88143504 0.00000000 0.00000000
|
|
59 0.00000000 0.00000000 0.00000000 0.09918384 -0.00634995
|
|
60 0.00000000 0.00000000 8.80702979 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.17291229 2.70082403
|
|
62 0.00000000 0.00000000 0.00000000 -1.20784522 0.07732873
|
|
63 0.00215121 0.74275079 2.70298312 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.07732873 1.20784522
|
|
65 -0.85765473 0.00248400 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.10383342 1.62183837
|
|
67 0.00000000 0.00000000 0.00000000 -2.70082403 0.17291229
|
|
68 -0.00215121 -0.74275079 2.70298312 0.00000000 0.00000000
|
|
69 0.00000000 0.00000000 0.00000000 -1.62183837 0.10383342
|
|
70 0.00000000 0.00000000 4.18670239 0.00000000 0.00000000
|
|
61 62 63 64 65
|
|
1 0.00000000 0.00000000 -6.11823547 1.71110258 0.00000000
|
|
2 0.00000000 0.00000000 10.23367309 -5.28534119 0.00000001
|
|
3 0.00000000 0.00000000 8.83207213 -2.05262250 0.00000000
|
|
4 0.00000000 0.00000000 1.71326953 -0.32008128 0.00000000
|
|
5 -0.75558773 -1.73890465 0.00000000 0.00000000 -0.35759600
|
|
6 1.73890465 -0.75558773 0.00000000 0.00000000 -0.53164919
|
|
7 0.00000000 0.00000000 -1.50470050 -1.06491047 -0.00000000
|
|
8 3.89642741 8.96721254 0.00000000 0.00000000 -1.24602375
|
|
9 -8.96721254 3.89642741 0.00000000 0.00000000 -1.85250256
|
|
10 0.00000000 0.00000000 10.49245348 0.93641325 0.00000002
|
|
11 -0.26937458 -0.61993690 0.00000000 0.00000000 -0.36092872
|
|
12 0.61993690 -0.26937458 0.00000000 0.00000000 -0.53660404
|
|
13 0.00000000 0.00000000 2.60537784 0.49100405 0.00000000
|
|
14 0.00000000 0.00000000 0.61161029 0.76988215 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -0.08635824 -0.19874429 0.00000000 0.00000000 -1.11968670
|
|
17 0.00000000 0.00000000 0.61161029 0.76988215 0.00000000
|
|
18 0.19874429 -0.08635824 0.00000000 0.00000000 -1.66467331
|
|
19 0.00000000 0.00000000 1.14889207 1.72226509 0.00000000
|
|
20 0.00000000 0.00000000 0.34173722 0.64260417 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.20375015 0.46890926 0.00000000 0.00000000 -0.96563475
|
|
23 0.00000000 0.00000000 0.34173722 0.64260417 0.00000000
|
|
24 -0.46890926 0.20375015 0.00000000 0.00000000 -1.43563945
|
|
25 0.00000000 0.00000000 3.19968668 2.44543033 0.00000001
|
|
26 -1.96690820 -4.52662965 0.00000000 0.00000000 0.10041744
|
|
27 2.02437032 -0.87962809 0.00000000 0.00000000 0.06676620
|
|
28 0.00000000 0.00000000 -0.57583929 -0.28598923 -0.00000000
|
|
29 -0.87962809 -2.02437032 0.00000000 0.00000000 0.04490805
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -0.82462370 -1.89778360 0.00000000 0.00000000 -0.98920552
|
|
32 4.52662965 -1.96690820 0.00000000 0.00000000 0.14929376
|
|
33 0.00000000 0.00000000 -0.57583929 -0.28598923 -0.00000000
|
|
34 1.89778360 -0.82462370 0.00000000 0.00000000 -1.47068285
|
|
35 0.00000000 0.00000000 -1.66810127 1.35260956 -0.00000001
|
|
36 0.00000000 0.00000000 6.11823583 1.71110254 -0.00000000
|
|
37 0.00000000 0.00000000 -10.23367326 -5.28534125 -0.00000001
|
|
38 0.00000000 0.00000000 -8.83207240 -2.05262245 -0.00000000
|
|
39 0.00000000 0.00000000 -1.71326962 -0.32008126 0.00000000
|
|
40 0.75558786 1.73890494 0.00000000 0.00000000 0.35759600
|
|
41 -1.73890494 0.75558786 0.00000000 0.00000000 0.53164918
|
|
42 0.00000000 0.00000000 -1.50470049 1.06491045 -0.00000000
|
|
43 -3.89642889 -8.96721595 0.00000000 0.00000000 1.24602375
|
|
44 8.96721595 -3.89642889 0.00000000 0.00000000 1.85250257
|
|
45 0.00000000 0.00000000 10.49245353 -0.93641311 0.00000002
|
|
46 0.26937468 0.61993713 0.00000000 0.00000000 0.36092872
|
|
47 -0.61993713 0.26937468 0.00000000 0.00000000 0.53660404
|
|
48 0.00000000 0.00000000 2.60537783 -0.49100406 0.00000000
|
|
49 0.00000000 0.00000000 -0.61161030 0.76988216 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -0.08635824 -0.19874429 0.00000000 0.00000000 -1.11968670
|
|
52 0.00000000 0.00000000 -0.61161030 0.76988216 0.00000000
|
|
53 0.19874429 -0.08635824 0.00000000 0.00000000 -1.66467331
|
|
54 0.00000000 0.00000000 -1.14889203 1.72226510 -0.00000000
|
|
55 0.00000000 0.00000000 -0.34173718 0.64260417 -0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 0.20375012 0.46890919 0.00000000 0.00000000 -0.96563475
|
|
58 0.00000000 0.00000000 -0.34173718 0.64260417 -0.00000000
|
|
59 -0.46890919 0.20375012 0.00000000 0.00000000 -1.43563945
|
|
60 0.00000000 0.00000000 -3.19968661 2.44543031 -0.00000001
|
|
61 1.96690900 4.52663150 0.00000000 0.00000000 -0.10041744
|
|
62 -2.02437115 0.87962845 0.00000000 0.00000000 -0.06676620
|
|
63 0.00000000 0.00000000 -0.57583930 0.28598920 -0.00000000
|
|
64 0.87962845 2.02437115 0.00000000 0.00000000 -0.04490805
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 0.82462418 1.89778469 0.00000000 0.00000000 0.98920552
|
|
67 -4.52663150 1.96690900 0.00000000 0.00000000 -0.14929376
|
|
68 0.00000000 0.00000000 -0.57583930 0.28598920 -0.00000000
|
|
69 -1.89778469 0.82462418 0.00000000 0.00000000 1.47068285
|
|
70 0.00000000 0.00000000 -1.66810135 -1.35260961 -0.00000001
|
|
66 67 68 69 70
|
|
1 -0.00000001 2.66393736 -4.37012331 60.39209537 60.93064028
|
|
2 -0.00000012 60.31054944 -14.77252087 -27.03398463 -40.55371875
|
|
3 -0.00000001 7.01246487 7.43409654 -33.79792820 -43.84975682
|
|
4 -0.00000000 0.35107957 0.58107162 -17.39240074 -16.67804955
|
|
5 -0.53164919 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
6 0.35759600 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000003 -17.08505254 12.51859257 0.66687971 2.68223944
|
|
8 -1.85250256 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 1.24602375 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 -0.00000019 97.08998040 -43.75736597 -0.74003473 -14.45336961
|
|
11 -0.53660404 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 0.36092872 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00000001 6.76736358 0.48824731 -0.51637991 -3.63209014
|
|
14 0.00000000 -0.36423290 -0.70702008 3.72561207 3.74584750
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -1.66467331 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 -0.36423290 -0.70702008 3.72561207 3.74584750
|
|
18 1.11968670 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 -0.00000001 3.90878488 1.75911070 3.09637149 3.79433011
|
|
20 -0.00000001 5.19395370 -3.65490765 3.04152189 2.97981593
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 -1.43563945 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.00000001 5.19395370 -3.65490765 3.04152189 2.97981593
|
|
24 0.96563475 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 -0.00000004 22.03301746 -8.49152181 1.73989352 -0.75707903
|
|
26 0.14929376 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 -0.04490805 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000002 -12.96116503 6.90447213 0.31868637 1.31878648
|
|
29 0.06676620 0.00000000 0.00000000 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
31 -1.47068285 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 -0.10041744 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000002 -12.96116503 6.90447213 0.31868637 1.31878648
|
|
34 0.98920552 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000005 -25.04677534 15.90142563 -0.87404201 3.00819982
|
|
36 0.00000001 -2.66393737 4.37012330 60.39209287 -60.93064276
|
|
37 0.00000012 -60.31054942 14.77252088 -27.03398297 40.55371986
|
|
38 0.00000001 -7.01246486 -7.43409654 -33.79792641 43.84975821
|
|
39 0.00000000 -0.35107957 -0.58107162 -17.39240006 16.67805027
|
|
40 0.53164918 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 -0.35759600 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000003 -17.08505255 12.51859257 -0.66687960 2.68223947
|
|
43 1.85250257 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 -1.24602375 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -0.00000019 97.08998041 -43.75736597 0.74003415 -14.45336965
|
|
46 0.53660404 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 -0.36092872 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 -0.00000001 6.76736358 0.48824731 0.51637976 -3.63209016
|
|
49 -0.00000000 0.36423290 0.70702008 3.72561192 -3.74584765
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -1.66467331 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.00000000 0.36423290 0.70702008 3.72561192 -3.74584765
|
|
53 1.11968670 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000001 -3.90878489 -1.75911071 3.09637134 -3.79433023
|
|
55 0.00000001 -5.19395370 3.65490765 3.04152177 -2.97981606
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
57 -1.43563945 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
58 0.00000001 -5.19395370 3.65490765 3.04152177 -2.97981606
|
|
59 0.96563475 0.00000000 0.00000000 0.00000000 0.00000000
|
|
60 0.00000004 -22.03301747 8.49152181 1.73989355 0.75707896
|
|
61 -0.14929376 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
62 0.04490805 0.00000000 0.00000000 0.00000000 0.00000000
|
|
63 0.00000002 -12.96116503 6.90447213 -0.31868632 1.31878650
|
|
64 -0.06676620 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
66 1.47068285 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.10041744 0.00000000 0.00000000 0.00000000 0.00000000
|
|
68 0.00000002 -12.96116503 6.90447213 -0.31868632 1.31878650
|
|
69 -0.98920552 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
70 0.00000005 -25.04677534 15.90142563 0.87404213 3.00819978
|
|
|
|
---------------------------------------
|
|
UHF spin-up orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.60758125
|
|
2 0.14819760
|
|
3 0.20758938
|
|
4 0.46278682
|
|
5 0.46278682
|
|
6 0.50343499
|
|
7 0.75471898
|
|
8 0.77085714
|
|
9 0.77085714
|
|
10 1.04165639
|
|
11 1.06999743
|
|
12 1.36572231
|
|
13 1.70225100
|
|
14 1.70225100
|
|
15 1.94955745
|
|
16 1.94955745
|
|
17 2.07096672
|
|
18 2.20314219
|
|
19 2.20314219
|
|
20 2.55708634
|
|
21 2.55708634
|
|
22 2.56687633
|
|
23 2.56687633
|
|
24 2.65031013
|
|
25 2.91249267
|
|
26 3.29399535
|
|
27 3.32115952
|
|
28 3.32115952
|
|
29 3.45469352
|
|
30 4.23553916
|
|
31 4.23553916
|
|
32 4.55197907
|
|
33 4.98216809
|
|
34 4.98216809
|
|
35 5.13907392
|
|
36 5.70176510
|
|
37 5.70176510
|
|
38 6.34796525
|
|
39 6.34796525
|
|
40 6.81188906
|
|
41 6.81188906
|
|
42 7.28106270
|
|
43 7.28106270
|
|
44 7.41102610
|
|
45 7.52313132
|
|
46 7.52313132
|
|
47 7.68877352
|
|
48 7.87124063
|
|
49 7.87124063
|
|
50 7.97505489
|
|
51 7.97505489
|
|
52 8.33960909
|
|
53 8.33960909
|
|
54 8.84018960
|
|
55 9.46474110
|
|
56 9.48731852
|
|
57 9.48731852
|
|
58 9.76964348
|
|
59 9.85120631
|
|
60 9.85120631
|
|
61 9.91248321
|
|
62 9.91248321
|
|
63 10.18955009
|
|
64 12.84517856
|
|
65 13.23026954
|
|
66 13.23026954
|
|
67 13.23166855
|
|
68 16.86864502
|
|
69 26.31051881
|
|
70 26.72365176
|
|
|
|
---------------------------------------
|
|
UHF spin-down orbital energies
|
|
---------------------------------------
|
|
1
|
|
1 -0.60758125
|
|
2 0.14819760
|
|
3 0.20758938
|
|
4 0.46278682
|
|
5 0.46278682
|
|
6 0.50343499
|
|
7 0.75471898
|
|
8 0.77085714
|
|
9 0.77085714
|
|
10 1.04165639
|
|
11 1.06999743
|
|
12 1.36572231
|
|
13 1.70225100
|
|
14 1.70225100
|
|
15 1.94955745
|
|
16 1.94955745
|
|
17 2.07096672
|
|
18 2.20314219
|
|
19 2.20314219
|
|
20 2.55708634
|
|
21 2.55708634
|
|
22 2.56687633
|
|
23 2.56687633
|
|
24 2.65031013
|
|
25 2.91249267
|
|
26 3.29399535
|
|
27 3.32115952
|
|
28 3.32115952
|
|
29 3.45469352
|
|
30 4.23553916
|
|
31 4.23553916
|
|
32 4.55197907
|
|
33 4.98216809
|
|
34 4.98216809
|
|
35 5.13907392
|
|
36 5.70176510
|
|
37 5.70176510
|
|
38 6.34796525
|
|
39 6.34796525
|
|
40 6.81188906
|
|
41 6.81188906
|
|
42 7.28106270
|
|
43 7.28106270
|
|
44 7.41102610
|
|
45 7.52313132
|
|
46 7.52313132
|
|
47 7.68877352
|
|
48 7.87124063
|
|
49 7.87124063
|
|
50 7.97505489
|
|
51 7.97505489
|
|
52 8.33960909
|
|
53 8.33960909
|
|
54 8.84018960
|
|
55 9.46474110
|
|
56 9.48731852
|
|
57 9.48731852
|
|
58 9.76964348
|
|
59 9.85120631
|
|
60 9.85120631
|
|
61 9.91248321
|
|
62 9.91248321
|
|
63 10.18955009
|
|
64 12.84517856
|
|
65 13.23026954
|
|
66 13.23026954
|
|
67 13.23166855
|
|
68 16.86864502
|
|
69 26.31051881
|
|
70 26.72365176
|
|
|
|
Total CPU time for UHF = 3.053 seconds
|
|
|
|
|
|
AO to MO transformation... Please be patient
|
|
|
|
Total CPU time for AO to MO transformation = 15.346 seconds
|
|
|
|
|
|
************************************************
|
|
| Configuration Interaction Singles |
|
|
************************************************
|
|
|
|
|
|
-------------------------------------------------------------
|
|
UCIS calculation: spin-conserved manifold
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.391504 | 10.653380 |
|
|
| 2 | 0.496543 | 13.511618 |
|
|
| 3 | 0.505136 | 13.745456 |
|
|
| 4 | 0.584000 | 15.891444 |
|
|
| 5 | 0.618260 | 16.823707 |
|
|
| 6 | 0.618260 | 16.823707 |
|
|
| 7 | 0.712153 | 19.378671 |
|
|
| 8 | 0.741616 | 20.180399 |
|
|
| 9 | 0.741616 | 20.180399 |
|
|
| 10 | 0.835845 | 22.744505 |
|
|
| 11 | 0.979844 | 26.662906 |
|
|
| 12 | 0.999546 | 27.199024 |
|
|
| 13 | 0.999546 | 27.199024 |
|
|
| 14 | 1.029755 | 28.021050 |
|
|
| 15 | 1.033184 | 28.114375 |
|
|
| 16 | 1.033184 | 28.114375 |
|
|
| 17 | 1.200464 | 32.666282 |
|
|
| 18 | 1.313383 | 35.738974 |
|
|
| 19 | 1.338849 | 36.431938 |
|
|
| 20 | 1.352919 | 36.814800 |
|
|
-------------------------------------------------------------
|
|
|
|
---------------------------------------------------------------
|
|
Transition dipole moment (au)
|
|
---------------------------------------------------------------
|
|
# X Y Z dip. str. osc. str.
|
|
---------------------------------------------------------------
|
|
1 -0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
2 -0.000000 -0.000000 -0.000004 0.000000 0.000000
|
|
3 0.000000 0.000000 1.173742 1.377671 0.463941
|
|
4 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
5 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
6 0.000000 0.000000 -0.000000 0.000000 0.000000
|
|
7 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
8 0.472645 -1.074813 -0.000000 1.378617 0.681603
|
|
9 1.074813 0.472645 -0.000000 1.378617 0.681603
|
|
10 -0.000000 0.000000 -0.719908 0.518268 0.288794
|
|
11 -0.000000 -0.000000 0.000000 0.000000 0.000000
|
|
12 0.000000 -0.000000 -0.000000 0.000000 0.000000
|
|
13 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
14 -0.000000 0.000000 0.000000 0.000000 0.000000
|
|
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 -0.000000 0.000000 0.000000
|
|
19 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
20 -0.000000 0.000000 0.003820 0.000015 0.000013
|
|
---------------------------------------------------------------
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 1: 10.653380 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.634622
|
|
1A -> 6A = -0.304220
|
|
1B -> 2B = -0.634622
|
|
1B -> 6B = -0.304220
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 2: 13.511618 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 3A = 0.695854
|
|
1A -> 10A = -0.102776
|
|
1B -> 3B = 0.695854
|
|
1B -> 10B = -0.102776
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 3: 13.745456 eV f = 0.4639 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 2A = -0.702979
|
|
1B -> 2B = 0.702979
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 4: 15.891444 eV f = 0.0000 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 3A = 0.706729
|
|
1B -> 3B = -0.706729
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 5: 16.823707 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 4A = -0.694728
|
|
1A -> 5A = -0.108888
|
|
1B -> 4B = 0.701675
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 6: 16.823707 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.108888
|
|
1A -> 5A = -0.694728
|
|
1B -> 5B = -0.701675
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 7: 19.378671 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 2A = 0.311724
|
|
1A -> 6A = -0.623136
|
|
1A -> 12A = 0.116035
|
|
1B -> 2B = 0.311724
|
|
1B -> 6B = -0.623136
|
|
1B -> 12B = 0.116035
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 8: 20.180399 eV f = 0.6816 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 4A = 0.684927
|
|
1A -> 5A = 0.175106
|
|
1B -> 4B = 0.706664
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 9: 20.180399 eV f = 0.6816 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 4A = -0.175106
|
|
1A -> 5A = 0.684927
|
|
1B -> 5B = -0.706664
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 10: 22.744505 eV f = 0.2888 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 6A = 0.702492
|
|
1B -> 6B = -0.702492
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 11: 26.662906 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.701040
|
|
1B -> 7B = 0.701040
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 12: 27.199024 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 8A = 0.698517
|
|
1A -> 9A = -0.100053
|
|
1B -> 8B = 0.702357
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 13: 27.199024 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 8A = -0.100053
|
|
1A -> 9A = -0.698517
|
|
1B -> 9B = -0.702357
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 14: 28.021050 eV f = 0.0000 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 7A = -0.702959
|
|
1B -> 7B = -0.702959
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 15: 28.114375 eV f = 0.0000 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 8A = -0.706171
|
|
1B -> 8B = 0.706534
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 16: 28.114375 eV f = 0.0000 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 9A = -0.706171
|
|
1B -> 9B = 0.706534
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 17: 32.666282 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 3A = -0.103268
|
|
1A -> 10A = -0.697158
|
|
1B -> 3B = -0.103268
|
|
1B -> 10B = -0.697158
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 18: 35.738974 eV f = 0.0000 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 10A = -0.703035
|
|
1B -> 10B = 0.703035
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 19: 36.431938 eV f = 0.0000 <S**2> = 2.0000
|
|
-------------------------------------------------------------
|
|
1A -> 11A = 0.703847
|
|
1B -> 11B = -0.703847
|
|
|
|
-------------------------------------------------------------
|
|
Excitation n. 20: 36.814800 eV f = 0.0000 <S**2> = 0.0000
|
|
-------------------------------------------------------------
|
|
1A -> 11A = -0.706561
|
|
1B -> 11B = -0.706561
|
|
|
|
Thomas-Reiche-Kuhn sum rule = 2.115954
|
|
|
|
Total CPU time for CIS = 0.007 seconds
|
|
|
|
Total CPU time for QuAcK = 19.635 seconds
|
|
|