2656 lines
195 KiB
Plaintext
2656 lines
195 KiB
Plaintext
210 significant shell pairs computed in 0.000106 seconds
|
||
0
|
||
Computed Electron repulsion integrals Integrals in parallel in 3.774951 seconds
|
||
|
||
******************************************************************************************
|
||
* QuAcK QuAcK QuAcK *
|
||
* __ __ __ __ __ __ __ __ __ *
|
||
* <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ *
|
||
* ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / *
|
||
*|--------------------------------------------------------------------------------------|*
|
||
******************************************************************************************
|
||
|
||
----------------------
|
||
Number of atoms 2
|
||
----------------------
|
||
|
||
----------------------
|
||
Number of spin-up electron 2
|
||
Number of spin-down electron 0
|
||
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 1.1338356753
|
||
|
||
------------------
|
||
Nuclear repulsion energy = 0.8819620178
|
||
------------------
|
||
|
||
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 = 1.186 seconds
|
||
|
||
|
||
Lowdin orthogonalization
|
||
|
||
|
||
************************************************
|
||
* Unrestricted Hartree-Fock calculation *
|
||
************************************************
|
||
|
||
|
||
----------------------------------------------------------
|
||
| # | E(UHF) | Ex(UHF) | Conv |
|
||
----------------------------------------------------------
|
||
| 1 | -0.6375569673 | -0.7532201423 | 1.000000 |
|
||
| 2 | -0.6751134229 | -0.6724880554 | 0.012506 |
|
||
| 3 | -0.6798369227 | -0.6484832297 | 0.006455 |
|
||
| 4 | -0.6808234724 | -0.6403051378 | 0.004223 |
|
||
| 5 | -0.6810823940 | -0.6370928416 | 0.002310 |
|
||
| 6 | -0.6811565075 | -0.6356889064 | 0.001374 |
|
||
| 7 | -0.6811788512 | -0.6350336941 | 0.000848 |
|
||
| 8 | -0.6811858963 | -0.6347167213 | 0.000523 |
|
||
| 9 | -0.6811882113 | -0.6345605073 | 0.000323 |
|
||
| 10 | -0.6811890000 | -0.6344827975 | 0.000199 |
|
||
| 11 | -0.6811892769 | -0.6344439594 | 0.000123 |
|
||
| 12 | -0.6811893764 | -0.6344245035 | 0.000076 |
|
||
| 13 | -0.6811894128 | -0.6344147457 | 0.000047 |
|
||
| 14 | -0.6811894262 | -0.6344098489 | 0.000029 |
|
||
| 15 | -0.6811894312 | -0.6344073908 | 0.000018 |
|
||
| 16 | -0.6811894331 | -0.6344061567 | 0.000011 |
|
||
| 17 | -0.6811894338 | -0.6344055370 | 0.000007 |
|
||
| 18 | -0.6811894341 | -0.6344052259 | 0.000004 |
|
||
| 19 | -0.6811894342 | -0.6344050697 | 0.000003 |
|
||
| 20 | -0.6811894343 | -0.6344049912 | 0.000002 |
|
||
| 21 | -0.6811894343 | -0.6344049518 | 0.000001 |
|
||
| 22 | -0.6811894343 | -0.6344049321 | 0.000001 |
|
||
| 23 | -0.6811894343 | -0.6344049221 | 0.000000 |
|
||
| 24 | -0.6811894343 | -0.6344049171 | 0.000000 |
|
||
| 25 | -0.6811894343 | -0.6344049146 | 0.000000 |
|
||
| 26 | -0.6811894343 | -0.6344049134 | 0.000000 |
|
||
----------------------------------------------------------
|
||
|
||
-------------------------------------------------
|
||
Summary
|
||
-------------------------------------------------
|
||
One-electron energy: -1.9274212872 au
|
||
One-electron a energy: -1.9274212872 au
|
||
One-electron b energy: 0.0000000000 au
|
||
Kinetic energy: 1.2320278605 au
|
||
Kinetic a energy: 1.2320278605 au
|
||
Kinetic b energy: 0.0000000000 au
|
||
Potential energy: -3.1594491477 au
|
||
Potential a energy: -3.1594491477 au
|
||
Potential b energy: 0.0000000000 au
|
||
-------------------------------------------------
|
||
Two-electron energy: 0.3642698352 au
|
||
Two-electron aa energy: 0.3642698352 au
|
||
Two-electron ab energy: 0.0000000000 au
|
||
Two-electron bb energy: 0.0000000000 au
|
||
Hartree energy: 0.9986747486 au
|
||
Hartree aa energy: 0.9986747486 au
|
||
Hartree ab energy: 0.0000000000 au
|
||
Hartree bb energy: 0.0000000000 au
|
||
Exchange energy: -0.6344049134 au
|
||
Exchange a energy: -0.6344049134 au
|
||
Exchange b energy: 0.0000000000 au
|
||
-------------------------------------------------
|
||
Electronic energy: -1.5631514520 au
|
||
Nuclear repulsion: 0.8819620178 au
|
||
UHF energy: -0.6811894343 au
|
||
-------------------------------------------------
|
||
UHF HOMO a energy: -4.815916 eV
|
||
UHF LUMO a energy: 3.420459 eV
|
||
UHF HOMOa-LUMOa gap: 8.236375 eV
|
||
-------------------------------------------------
|
||
UHF HOMO b energy: 0.000000 eV
|
||
UHF LUMO b energy: -5.278362 eV
|
||
UHF HOMOb-LUMOb gap : 0.000000 eV
|
||
-------------------------------------------------
|
||
S (exact) : 3.000000
|
||
S : 3.000000
|
||
<S**2> (exact) : 2.000000
|
||
<S**2> : 2.000000
|
||
-------------------------------------------------
|
||
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 1.08329437 -0.44319041 -0.08787223 -0.00000024 0.00000000
|
||
2 -0.01726494 -0.19755441 0.05874867 0.00000438 -0.00000000
|
||
3 -0.33134278 0.11785987 -1.11158313 -0.00001390 0.00000001
|
||
4 -0.29061617 -2.06393956 1.02468317 0.00001675 -0.00000001
|
||
5 0.00000000 -0.00000005 0.00000000 -0.11730737 0.37639111
|
||
6 -0.00000001 0.00000017 -0.00000001 0.37639111 0.11730737
|
||
7 0.00738082 0.02660797 0.03491119 -0.00000017 0.00000000
|
||
8 -0.00000000 0.00000018 -0.00000001 0.41179145 -1.32126939
|
||
9 0.00000001 -0.00000059 0.00000003 -1.32126939 -0.41179145
|
||
10 0.02896321 -0.10722588 -0.16708353 0.00000204 -0.00000000
|
||
11 0.00000003 -0.00000012 0.00000003 -0.22626059 0.72597718
|
||
12 -0.00000009 0.00000039 -0.00000009 0.72597718 0.22626059
|
||
13 -0.01454523 0.05738500 0.02734067 -0.00000015 0.00000000
|
||
14 -0.00013933 -0.00152965 0.01273087 0.00000005 0.00000000
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.00000000 0.00000000 0.00000000 0.00042627 -0.00136773
|
||
17 -0.00013933 -0.00152965 0.01273087 0.00000005 0.00000000
|
||
18 -0.00000000 -0.00000000 -0.00000000 -0.00136773 -0.00042627
|
||
19 0.00493194 -0.00053287 0.02730671 0.00000008 0.00000000
|
||
20 0.00683610 -0.03778928 0.14919766 0.00000112 -0.00000000
|
||
21 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
22 0.00000000 -0.00000000 0.00000000 -0.00386047 0.01238667
|
||
23 0.00683610 -0.03778928 0.14919766 0.00000112 -0.00000000
|
||
24 -0.00000001 0.00000001 -0.00000001 0.01238667 0.00386047
|
||
25 0.00367957 -0.06111331 0.19084392 0.00000173 -0.00000000
|
||
26 0.00000000 -0.00000008 0.00000000 -0.17101703 0.54872331
|
||
27 -0.00000000 0.00000011 -0.00000001 0.24539653 0.07648114
|
||
28 -0.00209718 0.00996262 0.02714555 -0.00000005 0.00000000
|
||
29 0.00000000 -0.00000003 0.00000000 -0.07648114 0.24539653
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.00000000 -0.00000003 0.00000000 -0.07653864 0.24558101
|
||
32 -0.00000001 0.00000025 -0.00000001 0.54872331 0.17101703
|
||
33 -0.00209718 0.00996262 0.02714555 -0.00000005 0.00000000
|
||
34 -0.00000001 0.00000011 -0.00000001 0.24558101 0.07653864
|
||
35 -0.00258747 0.02495691 0.09565952 -0.00000018 0.00000000
|
||
36 1.08329437 0.44319041 -0.08787223 0.00000024 -0.00000000
|
||
37 -0.01726494 0.19755441 0.05874867 -0.00000438 0.00000000
|
||
38 -0.33134278 -0.11785987 -1.11158313 0.00001390 -0.00000001
|
||
39 -0.29061617 2.06393956 1.02468317 -0.00001675 0.00000001
|
||
40 -0.00000000 -0.00000005 -0.00000000 -0.11730737 0.37639111
|
||
41 0.00000001 0.00000017 0.00000001 0.37639111 0.11730737
|
||
42 -0.00738082 0.02660797 -0.03491119 -0.00000017 0.00000000
|
||
43 0.00000000 0.00000018 0.00000001 0.41179145 -1.32126939
|
||
44 -0.00000001 -0.00000059 -0.00000003 -1.32126939 -0.41179145
|
||
45 -0.02896321 -0.10722588 0.16708353 0.00000204 -0.00000000
|
||
46 -0.00000003 -0.00000012 -0.00000003 -0.22626059 0.72597718
|
||
47 0.00000009 0.00000039 0.00000009 0.72597718 0.22626059
|
||
48 0.01454523 0.05738500 -0.02734067 -0.00000015 0.00000000
|
||
49 -0.00013933 0.00152965 0.01273087 -0.00000005 0.00000000
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 0.00000000 -0.00000000 0.00000000 -0.00042627 0.00136773
|
||
52 -0.00013933 0.00152965 0.01273087 -0.00000005 0.00000000
|
||
53 -0.00000000 0.00000000 -0.00000000 0.00136773 0.00042627
|
||
54 0.00493194 0.00053287 0.02730671 -0.00000008 0.00000000
|
||
55 0.00683610 0.03778928 0.14919766 -0.00000112 0.00000000
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
57 0.00000000 0.00000000 0.00000000 0.00386047 -0.01238667
|
||
58 0.00683610 0.03778928 0.14919766 -0.00000112 0.00000000
|
||
59 -0.00000001 -0.00000001 -0.00000001 -0.01238667 -0.00386047
|
||
60 0.00367957 0.06111331 0.19084392 -0.00000173 0.00000000
|
||
61 -0.00000000 -0.00000008 -0.00000000 -0.17101703 0.54872331
|
||
62 0.00000000 0.00000011 0.00000001 0.24539653 0.07648114
|
||
63 0.00209718 0.00996262 -0.02714555 -0.00000005 0.00000000
|
||
64 -0.00000000 -0.00000003 -0.00000000 -0.07648114 0.24539653
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000000 -0.00000003 -0.00000000 -0.07653864 0.24558101
|
||
67 0.00000001 0.00000025 0.00000001 0.54872331 0.17101703
|
||
68 0.00209718 0.00996262 -0.02714555 -0.00000005 0.00000000
|
||
69 0.00000001 0.00000011 0.00000001 0.24558101 0.07653864
|
||
70 0.00258747 0.02495691 -0.09565952 -0.00000018 0.00000000
|
||
6 7 8 9 10
|
||
1 -0.13005001 -0.29690580 -0.00000001 -0.00000004 1.61907902
|
||
2 1.27513956 0.27178127 0.00000010 0.00000025 0.73638143
|
||
3 -4.05745837 1.58234837 0.00000027 0.00000068 -3.80885387
|
||
4 4.52847736 -0.57410448 -0.00000012 -0.00000031 0.30419285
|
||
5 0.00000041 0.00000009 -0.50356296 0.03790490 0.00000000
|
||
6 -0.00000133 -0.00000029 0.03790490 0.50356296 -0.00000001
|
||
7 -0.04474227 -0.38707121 -0.00000009 -0.00000023 -0.01380402
|
||
8 -0.00000146 -0.00000024 1.41031699 -0.10615937 -0.00000001
|
||
9 0.00000467 0.00000077 -0.10615937 -1.41031699 0.00000002
|
||
10 0.58495540 1.39981859 0.00000033 0.00000084 0.08779746
|
||
11 0.00000079 0.00000051 -2.59494839 0.19533062 0.00000006
|
||
12 -0.00000253 -0.00000164 0.19533062 2.59494839 -0.00000019
|
||
13 -0.02833976 -1.96267655 -0.00000051 -0.00000128 -0.74131001
|
||
14 0.01378177 -0.01731664 -0.00000000 -0.00000001 0.03064240
|
||
15 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
16 -0.00000000 0.00000001 -0.03244120 0.00244196 0.00000000
|
||
17 0.01378177 -0.01731664 -0.00000000 -0.00000001 0.03064240
|
||
18 0.00000000 -0.00000002 0.00244196 0.03244120 -0.00000000
|
||
19 0.02266417 -0.03722587 -0.00000001 -0.00000002 0.09583162
|
||
20 0.32612071 -0.05360300 0.00000000 0.00000002 0.65650768
|
||
21 0.00000000 0.00000000 0.00000001 0.00000000 0.00000000
|
||
22 0.00000001 0.00000009 -0.41301176 0.03108881 0.00000001
|
||
23 0.32612071 -0.05360300 0.00000001 0.00000001 0.65650768
|
||
24 -0.00000004 -0.00000029 0.03108881 0.41301176 -0.00000004
|
||
25 0.50443328 -0.51505051 -0.00000012 -0.00000030 0.61819408
|
||
26 0.00000060 0.00000012 -0.68262625 0.05138361 0.00000001
|
||
27 -0.00000087 -0.00000018 0.02297945 0.30527974 -0.00000001
|
||
28 -0.01281905 -0.24642382 -0.00000006 -0.00000015 -0.01048515
|
||
29 0.00000027 0.00000006 -0.30527974 0.02297945 0.00000000
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.00000027 0.00000007 -0.38684735 0.02911932 0.00000000
|
||
32 -0.00000193 -0.00000039 0.05138361 0.68262625 -0.00000002
|
||
33 -0.01281905 -0.24642382 -0.00000006 -0.00000015 -0.01048515
|
||
34 -0.00000087 -0.00000023 0.02911932 0.38684735 -0.00000002
|
||
35 -0.04839089 -0.68071246 -0.00000016 -0.00000041 0.07235861
|
||
36 0.13005001 -0.29690580 -0.00000001 -0.00000004 1.61907902
|
||
37 -1.27513956 0.27178127 0.00000010 0.00000025 0.73638143
|
||
38 4.05745837 1.58234837 0.00000027 0.00000068 -3.80885387
|
||
39 -4.52847736 -0.57410448 -0.00000012 -0.00000031 0.30419285
|
||
40 0.00000041 -0.00000009 0.50356296 -0.03790490 -0.00000000
|
||
41 -0.00000133 0.00000029 -0.03790490 -0.50356296 0.00000001
|
||
42 -0.04474227 0.38707121 0.00000009 0.00000023 0.01380402
|
||
43 -0.00000146 0.00000024 -1.41031699 0.10615937 0.00000001
|
||
44 0.00000467 -0.00000077 0.10615937 1.41031699 -0.00000002
|
||
45 0.58495540 -1.39981859 -0.00000033 -0.00000084 -0.08779746
|
||
46 0.00000079 -0.00000051 2.59494839 -0.19533062 -0.00000006
|
||
47 -0.00000253 0.00000164 -0.19533062 -2.59494839 0.00000019
|
||
48 -0.02833976 1.96267655 0.00000051 0.00000128 0.74131001
|
||
49 -0.01378177 -0.01731664 -0.00000000 -0.00000001 0.03064240
|
||
50 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
51 0.00000000 0.00000001 -0.03244120 0.00244196 0.00000000
|
||
52 -0.01378177 -0.01731664 -0.00000000 -0.00000001 0.03064240
|
||
53 -0.00000000 -0.00000002 0.00244196 0.03244120 -0.00000000
|
||
54 -0.02266417 -0.03722587 -0.00000001 -0.00000002 0.09583162
|
||
55 -0.32612071 -0.05360300 0.00000000 0.00000002 0.65650768
|
||
56 0.00000000 0.00000000 0.00000001 0.00000000 0.00000000
|
||
57 -0.00000001 0.00000009 -0.41301176 0.03108881 0.00000001
|
||
58 -0.32612071 -0.05360300 0.00000001 0.00000001 0.65650768
|
||
59 0.00000004 -0.00000029 0.03108881 0.41301176 -0.00000004
|
||
60 -0.50443328 -0.51505051 -0.00000012 -0.00000030 0.61819408
|
||
61 0.00000060 -0.00000012 0.68262625 -0.05138361 -0.00000001
|
||
62 -0.00000087 0.00000018 -0.02297945 -0.30527974 0.00000001
|
||
63 -0.01281905 0.24642382 0.00000006 0.00000015 0.01048515
|
||
64 0.00000027 -0.00000006 0.30527974 -0.02297945 -0.00000000
|
||
65 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
66 0.00000027 -0.00000007 0.38684735 -0.02911932 -0.00000000
|
||
67 -0.00000193 0.00000039 -0.05138361 -0.68262625 0.00000002
|
||
68 -0.01281905 0.24642382 0.00000006 0.00000015 0.01048515
|
||
69 -0.00000087 0.00000023 -0.02911932 -0.38684735 0.00000002
|
||
70 -0.04839089 0.68071246 0.00000016 0.00000041 -0.07235861
|
||
11 12 13 14 15
|
||
1 -0.22546480 1.69443201 0.00000007 0.00000001 0.00000000
|
||
2 11.39204882 6.76747577 0.00000042 0.00000007 0.00000000
|
||
3 47.72789844 1.85754726 0.00000069 0.00000012 0.00000000
|
||
4 -1.15553202 2.36551352 0.00000005 0.00000001 0.00000000
|
||
5 -0.00000001 -0.00000002 0.16261887 1.26673730 -0.00000000
|
||
6 0.00000002 0.00000006 -1.26673730 0.16261887 -0.00000001
|
||
7 -0.31729691 -0.20179048 -0.00000001 -0.00000000 0.00000000
|
||
8 0.00000002 0.00000007 -0.62421916 -4.86242270 0.00000001
|
||
9 -0.00000006 -0.00000021 4.86242270 -0.62421916 0.00000003
|
||
10 6.75964033 2.89802615 0.00000020 0.00000003 0.00000000
|
||
11 -0.00000000 -0.00000002 0.11926746 0.92904676 0.00000001
|
||
12 0.00000001 0.00000005 -0.92904676 0.11926746 0.00000004
|
||
13 16.14043910 3.35290551 0.00000032 0.00000006 0.00000000
|
||
14 -0.08848163 0.01510945 -0.00000000 0.00000000 0.07540615
|
||
15 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00047516
|
||
16 0.00000000 0.00000000 -0.00109941 -0.00856395 0.00000000
|
||
17 -0.08848163 0.01510945 -0.00000000 -0.00000000 -0.07540615
|
||
18 0.00000000 -0.00000000 0.00856395 -0.00109941 0.00000000
|
||
19 0.30868344 0.09295533 0.00000001 0.00000000 0.00000000
|
||
20 0.26056996 1.09553853 0.00000005 0.00000001 -0.51649302
|
||
21 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00325461
|
||
22 0.00000000 0.00000000 -0.00053959 -0.00420322 0.00000000
|
||
23 0.26056996 1.09553853 0.00000006 0.00000001 0.51649302
|
||
24 -0.00000000 -0.00000000 0.00420322 -0.00053959 0.00000001
|
||
25 3.03244922 2.19542981 0.00000013 0.00000002 0.00000000
|
||
26 -0.00000001 -0.00000003 0.24514732 1.90960161 -0.00000000
|
||
27 0.00000001 0.00000004 -0.85399980 0.10963322 -0.00000001
|
||
28 -0.41372326 -0.09176432 -0.00000001 -0.00000000 0.01280457
|
||
29 -0.00000000 -0.00000001 0.10963322 0.85399980 -0.00000000
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00008069
|
||
31 -0.00000000 -0.00000001 0.11000843 0.85692258 -0.00000000
|
||
32 0.00000003 0.00000008 -1.90960161 0.24514732 -0.00000001
|
||
33 -0.41372326 -0.09176432 -0.00000001 -0.00000000 -0.01280457
|
||
34 0.00000001 0.00000004 -0.85692258 0.11000843 -0.00000000
|
||
35 -0.54210634 -0.19875510 -0.00000001 -0.00000000 0.00000000
|
||
36 0.22546480 -1.69443201 -0.00000007 -0.00000001 0.00000000
|
||
37 -11.39204882 -6.76747577 -0.00000042 -0.00000007 0.00000000
|
||
38 -47.72789844 -1.85754726 -0.00000069 -0.00000012 0.00000000
|
||
39 1.15553202 -2.36551352 -0.00000005 -0.00000001 0.00000000
|
||
40 -0.00000001 -0.00000002 0.16261887 1.26673730 0.00000000
|
||
41 0.00000002 0.00000006 -1.26673730 0.16261887 0.00000001
|
||
42 -0.31729691 -0.20179048 -0.00000001 -0.00000000 0.00000000
|
||
43 0.00000002 0.00000007 -0.62421916 -4.86242270 -0.00000001
|
||
44 -0.00000006 -0.00000021 4.86242270 -0.62421916 -0.00000003
|
||
45 6.75964033 2.89802615 0.00000020 0.00000003 0.00000000
|
||
46 -0.00000000 -0.00000002 0.11926746 0.92904676 -0.00000001
|
||
47 0.00000001 0.00000005 -0.92904676 0.11926746 -0.00000004
|
||
48 16.14043910 3.35290551 0.00000032 0.00000006 0.00000000
|
||
49 0.08848163 -0.01510945 0.00000000 0.00000000 0.07540615
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00047516
|
||
51 0.00000000 -0.00000000 0.00109941 0.00856395 0.00000000
|
||
52 0.08848163 -0.01510945 0.00000000 0.00000000 -0.07540615
|
||
53 -0.00000000 0.00000000 -0.00856395 0.00109941 0.00000000
|
||
54 -0.30868344 -0.09295533 -0.00000001 -0.00000000 0.00000000
|
||
55 -0.26056996 -1.09553853 -0.00000005 -0.00000001 -0.51649302
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00325461
|
||
57 -0.00000000 0.00000000 0.00053959 0.00420322 0.00000000
|
||
58 -0.26056996 -1.09553853 -0.00000006 -0.00000001 0.51649302
|
||
59 0.00000000 0.00000000 -0.00420322 0.00053959 0.00000001
|
||
60 -3.03244922 -2.19542981 -0.00000013 -0.00000002 0.00000000
|
||
61 -0.00000001 -0.00000003 0.24514732 1.90960161 0.00000000
|
||
62 0.00000001 0.00000004 -0.85399980 0.10963322 0.00000001
|
||
63 -0.41372326 -0.09176432 -0.00000001 -0.00000000 -0.01280457
|
||
64 -0.00000000 -0.00000001 0.10963322 0.85399980 0.00000000
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00008069
|
||
66 -0.00000000 -0.00000001 0.11000843 0.85692258 0.00000000
|
||
67 0.00000003 0.00000008 -1.90960161 0.24514732 0.00000001
|
||
68 -0.41372326 -0.09176432 -0.00000001 -0.00000000 0.01280457
|
||
69 0.00000001 0.00000004 -0.85692258 0.11000843 0.00000000
|
||
70 -0.54210634 -0.19875510 -0.00000001 -0.00000000 0.00000000
|
||
16 17 18 19 20
|
||
1 0.00000000 -0.05213189 -0.00000000 0.00000001 0.00000000
|
||
2 0.00000000 0.98245335 -0.00000003 0.00000014 0.00000000
|
||
3 0.00000000 1.77800980 -0.00000003 0.00000012 0.00000000
|
||
4 0.00000000 -0.44271948 0.00000001 -0.00000004 0.00000000
|
||
5 -0.00000001 -0.00000003 -0.94685229 0.05508178 -0.00000001
|
||
6 0.00000000 0.00000009 -0.05508178 -0.94685229 -0.00000004
|
||
7 0.00000000 -0.76999043 0.00000001 -0.00000005 0.00000000
|
||
8 0.00000003 0.00000005 1.95409791 -0.11367686 0.00000009
|
||
9 -0.00000001 -0.00000015 0.11367686 1.95409791 0.00000028
|
||
10 0.00000000 3.11684295 -0.00000005 0.00000022 0.00000000
|
||
11 0.00000004 -0.00000008 -2.71834133 0.15813563 -0.00000002
|
||
12 -0.00000001 0.00000026 -0.15813563 -2.71834133 -0.00000006
|
||
13 0.00000000 -2.04129404 0.00000006 -0.00000024 0.00000000
|
||
14 0.00041150 -0.05462895 0.00000000 -0.00000001 0.05817137
|
||
15 -0.08707152 0.00000000 0.00000000 -0.00000000 -0.00001477
|
||
16 0.00000000 -0.00000000 -0.12295123 0.00715251 0.00000001
|
||
17 -0.00041150 -0.05462895 0.00000000 -0.00000000 -0.05817137
|
||
18 -0.00000000 0.00000001 -0.00715251 -0.12295123 0.00000003
|
||
19 0.00000000 -0.11181899 0.00000000 -0.00000001 0.00000000
|
||
20 -0.00281857 -0.19282906 -0.00000000 0.00000001 -1.24373855
|
||
21 0.59639477 0.00000000 -0.00000000 0.00000000 0.00031585
|
||
22 0.00000001 -0.00000006 -1.78802278 0.10401567 -0.00000009
|
||
23 0.00281857 -0.19282906 -0.00000000 0.00000001 1.24373855
|
||
24 -0.00000000 0.00000020 -0.10401567 -1.78802278 -0.00000028
|
||
25 0.00000000 -1.83567066 0.00000005 -0.00000021 0.00000000
|
||
26 -0.00000001 -0.00000004 -1.26301527 0.07347411 -0.00000001
|
||
27 0.00000000 0.00000005 -0.03285862 -0.56483760 -0.00000002
|
||
28 0.00006988 -0.51404536 0.00000001 -0.00000003 -0.15791747
|
||
29 0.00000000 -0.00000002 -0.56483760 0.03285862 -0.00000001
|
||
30 -0.01478545 0.00000000 -0.00000000 0.00000000 0.00004010
|
||
31 -0.00000000 -0.00000002 -0.86447210 0.05028943 -0.00000002
|
||
32 0.00000000 0.00000012 -0.07347411 -1.26301527 -0.00000004
|
||
33 -0.00006988 -0.51404536 0.00000001 -0.00000004 0.15791747
|
||
34 0.00000000 0.00000008 -0.05028943 -0.86447210 -0.00000006
|
||
35 0.00000000 -1.54818432 0.00000003 -0.00000012 0.00000000
|
||
36 0.00000000 -0.05213189 -0.00000000 0.00000001 0.00000000
|
||
37 0.00000000 0.98245335 -0.00000003 0.00000014 0.00000000
|
||
38 0.00000000 1.77800980 -0.00000003 0.00000012 0.00000000
|
||
39 0.00000000 -0.44271948 0.00000001 -0.00000004 0.00000000
|
||
40 0.00000001 0.00000003 0.94685229 -0.05508178 -0.00000001
|
||
41 -0.00000000 -0.00000009 0.05508178 0.94685229 -0.00000004
|
||
42 0.00000000 0.76999043 -0.00000001 0.00000005 0.00000000
|
||
43 -0.00000003 -0.00000005 -1.95409791 0.11367686 0.00000009
|
||
44 0.00000001 0.00000015 -0.11367686 -1.95409791 0.00000028
|
||
45 0.00000000 -3.11684295 0.00000005 -0.00000022 0.00000000
|
||
46 -0.00000004 0.00000008 2.71834133 -0.15813563 -0.00000002
|
||
47 0.00000001 -0.00000026 0.15813563 2.71834133 -0.00000006
|
||
48 0.00000000 2.04129404 -0.00000006 0.00000024 0.00000000
|
||
49 0.00041150 -0.05462895 0.00000000 -0.00000001 -0.05817137
|
||
50 -0.08707152 0.00000000 0.00000000 -0.00000000 0.00001477
|
||
51 0.00000000 -0.00000000 -0.12295123 0.00715251 -0.00000001
|
||
52 -0.00041150 -0.05462895 0.00000000 -0.00000000 0.05817137
|
||
53 -0.00000000 0.00000001 -0.00715251 -0.12295123 -0.00000003
|
||
54 0.00000000 -0.11181899 0.00000000 -0.00000001 0.00000000
|
||
55 -0.00281857 -0.19282906 -0.00000000 0.00000001 1.24373855
|
||
56 0.59639477 0.00000000 -0.00000000 0.00000000 -0.00031585
|
||
57 0.00000001 -0.00000006 -1.78802278 0.10401567 0.00000009
|
||
58 0.00281857 -0.19282906 -0.00000000 0.00000001 -1.24373855
|
||
59 -0.00000000 0.00000020 -0.10401567 -1.78802278 0.00000028
|
||
60 0.00000000 -1.83567066 0.00000005 -0.00000021 0.00000000
|
||
61 0.00000001 0.00000004 1.26301527 -0.07347411 -0.00000001
|
||
62 0.00000000 -0.00000005 0.03285862 0.56483760 -0.00000002
|
||
63 -0.00006988 0.51404536 -0.00000001 0.00000003 -0.15791747
|
||
64 0.00000000 0.00000002 0.56483760 -0.03285862 -0.00000001
|
||
65 0.01478545 0.00000000 0.00000000 -0.00000000 0.00004010
|
||
66 0.00000000 0.00000002 0.86447210 -0.05028943 -0.00000002
|
||
67 -0.00000000 -0.00000012 0.07347411 1.26301527 -0.00000004
|
||
68 0.00006988 0.51404536 -0.00000001 0.00000004 0.15791747
|
||
69 -0.00000000 -0.00000008 0.05028943 0.86447210 -0.00000006
|
||
70 0.00000000 1.54818432 -0.00000003 0.00000012 0.00000000
|
||
21 22 23 24 25
|
||
1 0.00000000 0.00000000 -0.00000000 0.32130662 0.95198704
|
||
2 0.00000000 -0.00000026 0.00000091 -27.97749951 0.59434286
|
||
3 0.00000000 -0.00000031 0.00000108 -35.72302399 -3.59397360
|
||
4 0.00000000 -0.00000002 0.00000006 -0.41073327 0.20801515
|
||
5 0.00000004 -0.12314863 0.00310740 0.00000000 0.00000000
|
||
6 -0.00000001 -0.00310740 -0.12314863 -0.00000001 -0.00000001
|
||
7 0.00000000 0.00000001 -0.00000002 0.88415189 0.23341729
|
||
8 -0.00000028 0.94920932 -0.02395134 -0.00000002 -0.00000003
|
||
9 0.00000009 0.02395134 0.94920932 0.00000007 0.00000009
|
||
10 0.00000000 -0.00000015 0.00000052 -17.34229619 -0.96530037
|
||
11 0.00000006 -0.21343437 0.00538558 0.00000000 -0.00000002
|
||
12 -0.00000002 -0.00538558 -0.21343437 -0.00000001 0.00000007
|
||
13 0.00000000 -0.00000013 0.00000047 -13.88825489 -0.90279546
|
||
14 0.00001279 -0.00000000 -0.00000002 0.19404468 0.05871780
|
||
15 0.06717052 0.00000002 -0.00000001 0.00000000 0.00000000
|
||
16 -0.00000003 0.11996535 -0.00302708 -0.00000000 -0.00000000
|
||
17 -0.00001279 0.00000001 0.00000001 0.19404468 0.05871780
|
||
18 0.00000001 0.00302708 0.11996535 0.00000000 0.00000000
|
||
19 0.00000000 -0.00000001 0.00000002 -0.78693634 0.18371499
|
||
20 -0.00027354 0.00000010 0.00000038 -0.56181753 1.46412102
|
||
21 -1.43614558 -0.00000039 0.00000013 0.00000000 0.00000000
|
||
22 0.00000028 -1.03368152 0.02608282 0.00000001 -0.00000002
|
||
23 0.00027354 -0.00000013 -0.00000029 -0.56181753 1.46412102
|
||
24 -0.00000009 -0.02608282 -1.03368152 -0.00000004 0.00000007
|
||
25 0.00000000 -0.00000008 0.00000028 -7.75168725 0.29534030
|
||
26 0.00000005 -0.13401651 0.00338163 0.00000001 0.00000000
|
||
27 -0.00000001 -0.00151231 -0.05993401 -0.00000001 -0.00000000
|
||
28 -0.00003473 0.00000002 0.00000002 1.04513706 0.16390505
|
||
29 0.00000002 -0.05993401 0.00151231 0.00000000 0.00000000
|
||
30 -0.18234739 -0.00000006 0.00000002 0.00000000 0.00000000
|
||
31 0.00000006 -0.19439399 0.00490513 0.00000001 -0.00000000
|
||
32 -0.00000002 -0.00338163 -0.13401651 -0.00000002 -0.00000001
|
||
33 0.00003473 -0.00000001 -0.00000008 1.04513706 0.16390505
|
||
34 -0.00000002 -0.00490513 -0.19439399 -0.00000002 0.00000000
|
||
35 0.00000000 0.00000001 -0.00000003 1.44004144 0.44999291
|
||
36 0.00000000 -0.00000000 0.00000000 -0.32130663 0.95198704
|
||
37 0.00000000 0.00000026 -0.00000091 27.97749951 0.59434286
|
||
38 0.00000000 0.00000031 -0.00000108 35.72302399 -3.59397360
|
||
39 0.00000000 0.00000002 -0.00000006 0.41073327 0.20801515
|
||
40 0.00000004 -0.12314863 0.00310740 0.00000000 -0.00000000
|
||
41 -0.00000001 -0.00310740 -0.12314863 -0.00000001 0.00000001
|
||
42 0.00000000 0.00000001 -0.00000002 0.88415189 -0.23341729
|
||
43 -0.00000028 0.94920932 -0.02395134 -0.00000002 0.00000003
|
||
44 0.00000009 0.02395134 0.94920932 0.00000007 -0.00000009
|
||
45 0.00000000 -0.00000015 0.00000052 -17.34229619 0.96530037
|
||
46 0.00000006 -0.21343437 0.00538558 0.00000000 0.00000002
|
||
47 -0.00000002 -0.00538558 -0.21343437 -0.00000001 -0.00000007
|
||
48 0.00000000 -0.00000013 0.00000047 -13.88825489 0.90279545
|
||
49 -0.00001279 0.00000000 0.00000002 -0.19404468 0.05871780
|
||
50 -0.06717052 -0.00000002 0.00000001 0.00000000 0.00000000
|
||
51 0.00000003 -0.11996535 0.00302708 0.00000000 -0.00000000
|
||
52 0.00001279 -0.00000001 -0.00000001 -0.19404468 0.05871780
|
||
53 -0.00000001 -0.00302708 -0.11996535 -0.00000000 0.00000000
|
||
54 0.00000000 0.00000001 -0.00000002 0.78693634 0.18371499
|
||
55 0.00027354 -0.00000010 -0.00000038 0.56181753 1.46412102
|
||
56 1.43614558 0.00000039 -0.00000013 0.00000000 0.00000000
|
||
57 -0.00000028 1.03368152 -0.02608282 -0.00000001 -0.00000002
|
||
58 -0.00027354 0.00000013 0.00000029 0.56181753 1.46412102
|
||
59 0.00000009 0.02608282 1.03368152 0.00000004 0.00000007
|
||
60 0.00000000 0.00000008 -0.00000028 7.75168725 0.29534030
|
||
61 0.00000005 -0.13401651 0.00338163 0.00000001 -0.00000000
|
||
62 -0.00000001 -0.00151231 -0.05993401 -0.00000001 0.00000000
|
||
63 -0.00003473 0.00000002 0.00000002 1.04513706 -0.16390505
|
||
64 0.00000002 -0.05993401 0.00151231 0.00000000 -0.00000000
|
||
65 -0.18234739 -0.00000006 0.00000002 0.00000000 0.00000000
|
||
66 0.00000006 -0.19439399 0.00490513 0.00000001 0.00000000
|
||
67 -0.00000002 -0.00338163 -0.13401651 -0.00000002 0.00000001
|
||
68 0.00003473 -0.00000001 -0.00000008 1.04513706 -0.16390505
|
||
69 -0.00000002 -0.00490513 -0.19439399 -0.00000002 -0.00000000
|
||
70 0.00000000 0.00000001 -0.00000003 1.44004144 -0.44999291
|
||
26 27 28 29 30
|
||
1 -0.35102599 0.00000076 0.00000005 0.82359559 -0.00000001
|
||
2 2.05664303 -0.00000565 -0.00000037 -6.19522271 -0.00000000
|
||
3 13.48362937 -0.00000086 -0.00000006 -0.88813759 -0.00000014
|
||
4 -1.85740206 -0.00000009 -0.00000001 -0.10484833 0.00000001
|
||
5 -0.00000001 -1.10708355 2.87263109 0.00000084 -2.54701982
|
||
6 0.00000003 2.87263109 1.10708355 -0.00000268 0.21852675
|
||
7 -0.14395151 -0.00000281 -0.00000018 -3.12630047 -0.00000001
|
||
8 0.00000002 6.18043522 -16.03682971 -0.00000469 7.86264645
|
||
9 -0.00000007 -16.03682971 -6.18043522 0.00001500 -0.67459177
|
||
10 2.37512197 0.00001098 0.00000072 12.18940835 0.00000002
|
||
11 -0.00000000 0.48581864 -1.26058934 -0.00000037 -0.75475582
|
||
12 0.00000000 -1.26058934 -0.48581864 0.00000118 0.06475581
|
||
13 2.61799502 0.00000126 0.00000008 1.36237554 -0.00000004
|
||
14 -0.13662418 0.00000012 0.00000001 0.13618675 0.00000000
|
||
15 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
|
||
16 0.00000000 0.13353468 -0.34649227 -0.00000010 -0.02235043
|
||
17 -0.13662418 0.00000012 0.00000001 0.13618675 0.00000000
|
||
18 0.00000000 -0.34649227 -0.13353468 0.00000033 0.00191760
|
||
19 0.15231254 0.00000016 0.00000001 0.16672791 0.00000000
|
||
20 -1.84087318 -0.00000037 -0.00000002 -0.42216838 0.00000001
|
||
21 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000
|
||
22 0.00000001 1.78443451 -4.63020344 -0.00000135 0.07546046
|
||
23 -1.84087318 -0.00000037 -0.00000002 -0.42216838 0.00000001
|
||
24 -0.00000002 -4.63020344 -1.78443451 0.00000434 -0.00647428
|
||
25 -0.70140193 0.00000505 0.00000033 5.52882225 0.00000000
|
||
26 -0.00000001 -1.64933694 4.27965582 0.00000125 -3.82977677
|
||
27 0.00000002 1.91392027 0.73760590 -0.00000179 0.14694701
|
||
28 -0.40744241 -0.00000176 -0.00000011 -1.96234858 -0.00000000
|
||
29 -0.00000001 -0.73760590 1.91392027 0.00000056 -1.71272824
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.00000001 -0.46761185 1.21334685 0.00000035 -1.68274116
|
||
32 0.00000005 4.27965582 1.64933694 -0.00000399 0.32858350
|
||
33 -0.40744241 -0.00000176 -0.00000011 -1.96234858 -0.00000000
|
||
34 0.00000002 1.21334685 0.46761185 -0.00000113 0.14437420
|
||
35 -0.44801788 -0.00000314 -0.00000020 -3.52265080 -0.00000001
|
||
36 0.35102599 0.00000076 0.00000005 0.82359559 0.00000001
|
||
37 -2.05664303 -0.00000565 -0.00000037 -6.19522271 0.00000000
|
||
38 -13.48362937 -0.00000086 -0.00000006 -0.88813759 0.00000014
|
||
39 1.85740206 -0.00000009 -0.00000001 -0.10484833 -0.00000001
|
||
40 -0.00000001 1.10708355 -2.87263109 -0.00000084 -2.54701982
|
||
41 0.00000003 -2.87263109 -1.10708355 0.00000268 0.21852675
|
||
42 -0.14395151 0.00000281 0.00000018 3.12630047 -0.00000001
|
||
43 0.00000002 -6.18043522 16.03682971 0.00000469 7.86264645
|
||
44 -0.00000007 16.03682971 6.18043522 -0.00001500 -0.67459177
|
||
45 2.37512197 -0.00001098 -0.00000071 -12.18940835 0.00000002
|
||
46 -0.00000000 -0.48581864 1.26058934 0.00000037 -0.75475582
|
||
47 0.00000000 1.26058934 0.48581864 -0.00000118 0.06475581
|
||
48 2.61799502 -0.00000126 -0.00000008 -1.36237554 -0.00000004
|
||
49 0.13662418 0.00000012 0.00000001 0.13618675 -0.00000000
|
||
50 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
51 0.00000000 0.13353468 -0.34649227 -0.00000010 0.02235043
|
||
52 0.13662418 0.00000012 0.00000001 0.13618675 -0.00000000
|
||
53 -0.00000000 -0.34649227 -0.13353468 0.00000033 -0.00191760
|
||
54 -0.15231254 0.00000016 0.00000001 0.16672791 -0.00000000
|
||
55 1.84087318 -0.00000037 -0.00000002 -0.42216838 -0.00000001
|
||
56 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 -0.00000001 1.78443451 -4.63020344 -0.00000135 -0.07546046
|
||
58 1.84087318 -0.00000037 -0.00000002 -0.42216838 -0.00000001
|
||
59 0.00000002 -4.63020344 -1.78443451 0.00000434 0.00647428
|
||
60 0.70140193 0.00000505 0.00000033 5.52882225 -0.00000000
|
||
61 -0.00000001 1.64933694 -4.27965582 -0.00000125 -3.82977677
|
||
62 0.00000002 -1.91392027 -0.73760590 0.00000179 0.14694701
|
||
63 -0.40744241 0.00000176 0.00000011 1.96234858 -0.00000000
|
||
64 -0.00000001 0.73760590 -1.91392027 -0.00000056 -1.71272824
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000001 0.46761185 -1.21334685 -0.00000035 -1.68274116
|
||
67 0.00000005 -4.27965582 -1.64933694 0.00000399 0.32858350
|
||
68 -0.40744241 0.00000176 0.00000011 1.96234858 -0.00000000
|
||
69 0.00000002 -1.21334685 -0.46761185 0.00000113 0.14437420
|
||
70 -0.44801788 0.00000314 0.00000020 3.52265080 -0.00000001
|
||
31 32 33 34 35
|
||
1 0.00000001 0.47737739 0.00000003 0.00000000 -1.23039568
|
||
2 0.00000001 1.23429282 -0.00000008 -0.00000001 -45.91635481
|
||
3 0.00000035 -1.72218591 0.00000005 0.00000000 -23.04108198
|
||
4 -0.00000003 0.14110509 -0.00000002 -0.00000000 -0.27304726
|
||
5 -0.21852675 0.00000009 1.15253989 5.11179362 0.00000000
|
||
6 -2.54701982 -0.00000028 -5.11179362 1.15253989 -0.00000001
|
||
7 0.00000001 3.85870967 -0.00000019 -0.00000002 1.59740595
|
||
8 0.67459177 -0.00000033 -4.05591873 -17.98898217 -0.00000000
|
||
9 7.86264645 0.00000106 17.98898217 -4.05591873 0.00000001
|
||
10 -0.00000004 -13.03269762 0.00000063 0.00000005 -31.73196191
|
||
11 -0.06475581 0.00000001 0.31728749 1.40724687 0.00000000
|
||
12 -0.75475582 -0.00000004 -1.40724687 0.31728749 -0.00000000
|
||
13 0.00000009 0.92108094 -0.00000005 -0.00000000 -10.25404194
|
||
14 -0.00000000 0.02867657 0.00000000 -0.00000000 0.32509012
|
||
15 0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
16 -0.00191760 -0.00000000 -0.01006045 -0.04462054 0.00000000
|
||
17 -0.00000000 0.02867657 -0.00000001 0.00000000 0.32509012
|
||
18 -0.02235043 0.00000001 0.04462054 -0.01006045 -0.00000001
|
||
19 -0.00000000 0.16628864 -0.00000000 -0.00000000 -1.39283757
|
||
20 -0.00000003 0.70255429 -0.00000003 -0.00000000 -1.30113751
|
||
21 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
22 0.00647428 -0.00000004 -0.31821599 -1.41136502 -0.00000000
|
||
23 -0.00000003 0.70255429 -0.00000003 -0.00000000 -1.30113751
|
||
24 0.07546046 0.00000013 1.41136502 -0.31821599 0.00000001
|
||
25 -0.00000001 -0.84508865 0.00000004 0.00000000 -10.55313196
|
||
26 -0.32858350 0.00000013 1.63942514 7.27124766 0.00000000
|
||
27 -1.71272824 -0.00000018 -3.25180081 0.73317321 -0.00000001
|
||
28 0.00000001 2.46678482 -0.00000012 -0.00000001 1.77565380
|
||
29 -0.14694701 0.00000006 0.73317321 3.25180081 0.00000000
|
||
30 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
31 -0.14437420 0.00000005 0.73584185 3.26363688 -0.00000000
|
||
32 -3.82977677 -0.00000040 -7.27124766 1.63942514 -0.00000001
|
||
33 0.00000001 2.46678482 -0.00000011 -0.00000001 1.77565380
|
||
34 -1.68274116 -0.00000018 -3.26363688 0.73584185 0.00000001
|
||
35 0.00000002 5.78313379 -0.00000028 -0.00000002 2.60268202
|
||
36 -0.00000001 0.47737739 0.00000003 0.00000000 1.23039568
|
||
37 -0.00000001 1.23429282 -0.00000008 -0.00000001 45.91635481
|
||
38 -0.00000035 -1.72218591 0.00000005 0.00000000 23.04108198
|
||
39 0.00000003 0.14110509 -0.00000002 -0.00000000 0.27304726
|
||
40 -0.21852675 -0.00000009 -1.15253989 -5.11179362 0.00000000
|
||
41 -2.54701982 0.00000028 5.11179362 -1.15253989 -0.00000001
|
||
42 0.00000001 -3.85870967 0.00000019 0.00000002 1.59740595
|
||
43 0.67459177 0.00000033 4.05591873 17.98898217 -0.00000000
|
||
44 7.86264645 -0.00000106 -17.98898217 4.05591873 0.00000001
|
||
45 -0.00000004 13.03269762 -0.00000063 -0.00000005 -31.73196191
|
||
46 -0.06475581 -0.00000001 -0.31728749 -1.40724687 0.00000000
|
||
47 -0.75475582 0.00000004 1.40724687 -0.31728749 -0.00000000
|
||
48 0.00000009 -0.92108094 0.00000005 0.00000000 -10.25404194
|
||
49 0.00000000 0.02867657 0.00000000 -0.00000000 -0.32509012
|
||
50 -0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
51 0.00191760 -0.00000000 -0.01006045 -0.04462054 -0.00000000
|
||
52 0.00000000 0.02867657 -0.00000001 0.00000000 -0.32509012
|
||
53 0.02235043 0.00000001 0.04462054 -0.01006045 0.00000001
|
||
54 0.00000000 0.16628864 -0.00000000 -0.00000000 1.39283757
|
||
55 0.00000003 0.70255429 -0.00000003 -0.00000000 1.30113751
|
||
56 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
57 -0.00647428 -0.00000004 -0.31821599 -1.41136502 0.00000000
|
||
58 0.00000003 0.70255429 -0.00000003 -0.00000000 1.30113751
|
||
59 -0.07546046 0.00000013 1.41136502 -0.31821599 -0.00000001
|
||
60 0.00000001 -0.84508865 0.00000004 0.00000000 10.55313196
|
||
61 -0.32858350 -0.00000013 -1.63942514 -7.27124766 0.00000000
|
||
62 -1.71272824 0.00000018 3.25180081 -0.73317321 -0.00000001
|
||
63 0.00000001 -2.46678482 0.00000012 0.00000001 1.77565380
|
||
64 -0.14694701 -0.00000006 -0.73317321 -3.25180081 0.00000000
|
||
65 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.14437420 -0.00000005 -0.73584185 -3.26363688 -0.00000000
|
||
67 -3.82977677 0.00000040 7.27124766 -1.63942514 -0.00000001
|
||
68 0.00000001 -2.46678482 0.00000011 0.00000001 1.77565380
|
||
69 -1.68274116 0.00000018 3.26363688 -0.73584185 0.00000001
|
||
70 0.00000002 -5.78313379 0.00000028 0.00000002 2.60268202
|
||
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 -0.00000001 -0.00000002 0.00000000
|
||
6 0.00000000 0.00000000 -0.00000002 0.00000001 0.00000000
|
||
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
8 0.00000000 0.00000000 0.00000006 0.00000019 0.00000000
|
||
9 0.00000000 0.00000000 0.00000019 -0.00000006 0.00000000
|
||
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
11 0.00000000 0.00000000 0.00000001 0.00000003 0.00000000
|
||
12 0.00000000 0.00000000 0.00000003 -0.00000001 0.00000000
|
||
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
14 -0.00000000 -0.00000000 0.12299648 0.00015391 0.00000000
|
||
15 -0.00000000 0.00000000 0.00017772 -0.14202410 0.00000002
|
||
16 0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
17 0.00000000 0.00000000 -0.12299648 -0.00015391 -0.00000000
|
||
18 0.00000000 0.00000000 0.00000001 -0.00000000 0.00000000
|
||
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
20 0.00000000 0.00000001 -0.14862010 -0.00018598 -0.00000000
|
||
21 0.00000002 -0.00000001 -0.00021475 0.17161171 -0.00000001
|
||
22 0.00000000 0.00000000 0.00000002 0.00000007 0.00000000
|
||
23 -0.00000000 -0.00000001 0.14862010 0.00018598 0.00000000
|
||
24 0.00000000 0.00000000 0.00000007 -0.00000002 0.00000000
|
||
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
26 0.47113157 -0.00877387 -0.00000001 -0.00000007 -0.70783131
|
||
27 -0.01177138 -0.63208933 -0.00000005 -0.00000000 -0.21759694
|
||
28 0.00000000 0.00000001 0.51067620 0.00063903 0.00000000
|
||
29 -0.63208933 0.01177138 -0.00000001 0.00000000 0.94965535
|
||
30 0.00000001 -0.00000000 0.00073789 -0.58967808 0.00000001
|
||
31 0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
32 0.00877387 0.47113157 -0.00000003 0.00000002 0.16218718
|
||
33 -0.00000000 -0.00000001 -0.51067620 -0.00063903 -0.00000000
|
||
34 0.00000000 0.00000000 0.00000001 -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 0.00000001 0.00000002 0.00000000
|
||
41 0.00000000 0.00000000 0.00000002 -0.00000001 0.00000000
|
||
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
43 0.00000000 0.00000000 -0.00000006 -0.00000019 -0.00000000
|
||
44 0.00000000 0.00000000 -0.00000019 0.00000006 0.00000000
|
||
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
46 0.00000000 0.00000000 -0.00000001 -0.00000003 0.00000000
|
||
47 0.00000000 0.00000000 -0.00000003 0.00000001 0.00000000
|
||
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
49 0.00000000 0.00000000 0.12299648 0.00015391 0.00000000
|
||
50 0.00000000 -0.00000000 0.00017772 -0.14202410 0.00000002
|
||
51 0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
52 -0.00000000 -0.00000000 -0.12299648 -0.00015391 -0.00000000
|
||
53 0.00000000 0.00000000 0.00000001 -0.00000000 0.00000000
|
||
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
55 -0.00000000 -0.00000001 -0.14862010 -0.00018598 -0.00000000
|
||
56 -0.00000002 0.00000001 -0.00021475 0.17161171 -0.00000001
|
||
57 0.00000000 0.00000000 0.00000002 0.00000007 0.00000000
|
||
58 0.00000000 0.00000001 0.14862010 0.00018598 0.00000000
|
||
59 0.00000000 0.00000000 0.00000007 -0.00000002 0.00000000
|
||
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
61 0.47113157 -0.00877387 0.00000001 0.00000007 0.70783131
|
||
62 -0.01177138 -0.63208933 0.00000005 0.00000000 0.21759694
|
||
63 0.00000000 0.00000001 -0.51067620 -0.00063903 -0.00000000
|
||
64 -0.63208933 0.01177138 0.00000001 -0.00000000 -0.94965535
|
||
65 0.00000001 -0.00000000 -0.00073789 0.58967808 -0.00000001
|
||
66 0.00000000 0.00000000 -0.00000000 -0.00000001 0.00000000
|
||
67 0.00877387 0.47113157 0.00000003 -0.00000002 -0.16218718
|
||
68 -0.00000000 -0.00000001 0.51067620 0.00063903 0.00000000
|
||
69 0.00000000 0.00000000 -0.00000001 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 5.13358225 4.10555539
|
||
2 0.00000000 0.00000000 0.00000000 -7.20891676 -30.37436584
|
||
3 0.00000000 0.00000000 0.00000000 -3.97503892 -19.78904133
|
||
4 0.00000000 0.00000000 0.00000000 -1.26943393 -0.47358767
|
||
5 0.00000000 -0.00000000 0.00000001 -0.00000013 0.00000000
|
||
6 0.00000000 -0.00000001 -0.00000000 0.00000043 -0.00000000
|
||
7 0.00000000 0.00000000 0.00000000 -2.65563097 2.00087890
|
||
8 0.00000000 -0.00000001 0.00000002 0.00000103 -0.00000002
|
||
9 0.00000000 -0.00000002 -0.00000001 -0.00000330 0.00000007
|
||
10 0.00000000 0.00000000 0.00000000 8.97684161 -25.26592556
|
||
11 0.00000000 0.00000000 -0.00000001 0.00000010 0.00000000
|
||
12 0.00000000 0.00000001 0.00000000 -0.00000033 -0.00000001
|
||
13 0.00000000 0.00000000 0.00000000 0.89510598 -5.99533870
|
||
14 0.00000002 -0.11203550 -0.00005325 0.24589580 0.48805623
|
||
15 -0.00000000 0.00006148 -0.12936745 0.00000000 0.00000000
|
||
16 0.00000000 -0.00000001 0.00000003 0.00000006 -0.00000001
|
||
17 -0.00000002 0.11203550 0.00005325 0.24589580 0.48805623
|
||
18 0.00000000 -0.00000003 -0.00000001 -0.00000020 0.00000003
|
||
19 0.00000000 0.00000000 0.00000000 0.60187330 -1.50039698
|
||
20 -0.00000001 1.10908752 0.00052710 0.33086639 0.53930596
|
||
21 0.00000000 -0.00060864 1.28066395 0.00000000 0.00000000
|
||
22 0.00000000 0.00000001 -0.00000005 0.00000033 0.00000001
|
||
23 0.00000001 -1.10908752 -0.00052710 0.33086639 0.53930596
|
||
24 0.00000000 0.00000005 0.00000001 -0.00000107 -0.00000003
|
||
25 0.00000000 0.00000000 0.00000000 4.87451901 -5.68376592
|
||
26 -0.16218718 -0.00000001 0.00000002 -0.00000028 0.00000001
|
||
27 0.94965535 -0.00000000 -0.00000000 0.00000041 -0.00000001
|
||
28 0.00000001 1.09236321 0.00051915 -1.80560645 3.25109143
|
||
29 0.21759694 -0.00000000 0.00000001 -0.00000013 0.00000000
|
||
30 -0.00000000 -0.00059946 1.26135239 0.00000000 0.00000000
|
||
31 0.00000000 0.00000001 -0.00000004 0.00000005 0.00000001
|
||
32 -0.70783131 -0.00000002 -0.00000001 0.00000091 -0.00000002
|
||
33 -0.00000001 -1.09236321 -0.00051915 -1.80560645 3.25109143
|
||
34 0.00000000 0.00000004 0.00000001 -0.00000015 -0.00000003
|
||
35 0.00000000 0.00000000 0.00000000 -1.23946959 3.64469446
|
||
36 0.00000000 0.00000000 0.00000000 5.13358226 -4.10555539
|
||
37 0.00000000 0.00000000 0.00000000 -7.20891676 30.37436584
|
||
38 0.00000000 0.00000000 0.00000000 -3.97503892 19.78904133
|
||
39 0.00000000 0.00000000 0.00000000 -1.26943393 0.47358767
|
||
40 0.00000000 -0.00000000 0.00000001 0.00000013 0.00000000
|
||
41 0.00000000 -0.00000001 -0.00000000 -0.00000043 -0.00000000
|
||
42 0.00000000 0.00000000 0.00000000 2.65563097 2.00087890
|
||
43 0.00000000 -0.00000001 0.00000002 -0.00000103 -0.00000002
|
||
44 -0.00000000 -0.00000002 -0.00000001 0.00000330 0.00000007
|
||
45 0.00000000 0.00000000 0.00000000 -8.97684161 -25.26592556
|
||
46 0.00000000 0.00000000 -0.00000001 -0.00000010 0.00000000
|
||
47 0.00000000 0.00000001 0.00000000 0.00000033 -0.00000001
|
||
48 0.00000000 0.00000000 0.00000000 -0.89510598 -5.99533870
|
||
49 0.00000002 0.11203550 0.00005325 0.24589580 -0.48805623
|
||
50 -0.00000000 -0.00006148 0.12936745 0.00000000 0.00000000
|
||
51 0.00000000 0.00000001 -0.00000003 0.00000006 0.00000001
|
||
52 -0.00000002 -0.11203550 -0.00005325 0.24589580 -0.48805623
|
||
53 0.00000000 0.00000003 0.00000001 -0.00000020 -0.00000003
|
||
54 0.00000000 0.00000000 0.00000000 0.60187330 1.50039698
|
||
55 -0.00000001 -1.10908752 -0.00052710 0.33086639 -0.53930596
|
||
56 0.00000000 0.00060864 -1.28066395 0.00000000 0.00000000
|
||
57 0.00000000 -0.00000001 0.00000005 0.00000033 -0.00000001
|
||
58 0.00000001 1.10908752 0.00052710 0.33086639 -0.53930596
|
||
59 0.00000000 -0.00000005 -0.00000001 -0.00000107 0.00000003
|
||
60 0.00000000 0.00000000 0.00000000 4.87451901 5.68376592
|
||
61 0.16218718 -0.00000001 0.00000002 0.00000028 0.00000001
|
||
62 -0.94965535 -0.00000000 -0.00000000 -0.00000041 -0.00000001
|
||
63 -0.00000001 1.09236321 0.00051915 1.80560645 3.25109143
|
||
64 -0.21759694 -0.00000000 0.00000001 0.00000013 0.00000000
|
||
65 0.00000000 -0.00059946 1.26135239 0.00000000 0.00000000
|
||
66 0.00000000 0.00000001 -0.00000004 -0.00000005 0.00000001
|
||
67 0.70783131 -0.00000002 -0.00000001 -0.00000091 -0.00000002
|
||
68 0.00000001 -1.09236321 -0.00051915 1.80560645 3.25109143
|
||
69 0.00000000 0.00000004 0.00000001 0.00000015 -0.00000003
|
||
70 0.00000000 0.00000000 0.00000000 1.23946959 3.64469446
|
||
46 47 48 49 50
|
||
1 -0.00000145 0.00000017 -0.00000007 -0.00000014 0.00000000
|
||
2 0.00000197 -0.00000023 0.00000021 0.00000044 0.00000000
|
||
3 0.00000112 -0.00000013 0.00000021 0.00000044 0.00000000
|
||
4 0.00000036 -0.00000004 0.00000001 0.00000001 0.00000000
|
||
5 -0.31409506 1.67465581 -0.29532777 0.04218673 -0.00000001
|
||
6 1.67465581 0.31409506 0.04218673 0.29532777 -0.00000003
|
||
7 0.00000072 -0.00000009 -0.00000002 -0.00000004 0.00000000
|
||
8 2.37359859 -12.65527920 -0.22412259 0.03201527 0.00000003
|
||
9 -12.65527920 -2.37359859 0.03201527 0.22412259 0.00000008
|
||
10 -0.00000248 0.00000029 0.00000019 0.00000040 0.00000000
|
||
11 0.23643940 -1.26062032 0.09822707 -0.01403146 -0.00000000
|
||
12 -1.26062032 -0.23643940 -0.01403146 -0.09822707 -0.00000001
|
||
13 -0.00000023 0.00000003 0.00000005 0.00000010 0.00000000
|
||
14 -0.00000006 0.00000001 -0.00000000 -0.00000002 -0.71293467
|
||
15 0.00000000 -0.00000000 -0.00000001 -0.00000000 0.01568229
|
||
16 0.14062173 -0.74975073 -0.70058420 0.10007645 -0.00000000
|
||
17 -0.00000007 0.00000001 -0.00000001 -0.00000000 0.71293467
|
||
18 -0.74975073 -0.14062173 0.10007645 0.70058420 -0.00000001
|
||
19 -0.00000017 0.00000002 0.00000001 0.00000003 0.00000000
|
||
20 -0.00000010 0.00000001 -0.00000003 0.00000002 0.27744021
|
||
21 -0.00000000 0.00000000 0.00000006 0.00000001 -0.00610280
|
||
22 0.76098192 -4.05731563 0.92234460 -0.13175429 -0.00000000
|
||
23 -0.00000010 0.00000001 -0.00000001 -0.00000009 -0.27744021
|
||
24 -4.05731563 -0.76098192 -0.13175429 -0.92234460 -0.00000001
|
||
25 -0.00000132 0.00000016 0.00000003 0.00000006 0.00000000
|
||
26 -0.65758745 3.50604895 -0.55042158 0.07862615 -0.00000002
|
||
27 1.56795276 0.29408205 0.03516268 0.24615602 0.00000000
|
||
28 0.00000051 -0.00000006 -0.00000004 -0.00000003 0.27385840
|
||
29 -0.29408205 1.56795276 -0.24615602 0.03516268 -0.00000000
|
||
30 0.00000000 -0.00000001 0.00000006 0.00000001 -0.00602401
|
||
31 0.09825564 -0.52386812 0.94503657 -0.13499577 -0.00000001
|
||
32 3.50604895 0.65758745 0.07862615 0.55042158 -0.00000006
|
||
33 0.00000049 -0.00000006 -0.00000003 -0.00000013 -0.27385840
|
||
34 -0.52386812 -0.09825564 -0.13499577 -0.94503657 -0.00000003
|
||
35 0.00000036 -0.00000004 -0.00000003 -0.00000007 0.00000000
|
||
36 -0.00000145 0.00000017 0.00000007 0.00000014 0.00000000
|
||
37 0.00000197 -0.00000023 -0.00000021 -0.00000044 0.00000000
|
||
38 0.00000112 -0.00000013 -0.00000021 -0.00000044 0.00000000
|
||
39 0.00000036 -0.00000004 -0.00000001 -0.00000001 0.00000000
|
||
40 0.31409506 -1.67465581 -0.29532777 0.04218673 0.00000001
|
||
41 -1.67465581 -0.31409506 0.04218673 0.29532777 0.00000003
|
||
42 -0.00000072 0.00000009 -0.00000002 -0.00000004 0.00000000
|
||
43 -2.37359859 12.65527920 -0.22412259 0.03201527 -0.00000003
|
||
44 12.65527920 2.37359859 0.03201527 0.22412259 -0.00000008
|
||
45 0.00000248 -0.00000029 0.00000019 0.00000040 0.00000000
|
||
46 -0.23643940 1.26062032 0.09822707 -0.01403146 0.00000000
|
||
47 1.26062032 0.23643940 -0.01403146 -0.09822707 0.00000001
|
||
48 0.00000023 -0.00000003 0.00000005 0.00000010 0.00000000
|
||
49 -0.00000006 0.00000001 0.00000000 0.00000002 -0.71293467
|
||
50 0.00000000 -0.00000000 0.00000001 0.00000000 0.01568229
|
||
51 0.14062173 -0.74975073 0.70058420 -0.10007645 -0.00000000
|
||
52 -0.00000007 0.00000001 0.00000001 0.00000000 0.71293467
|
||
53 -0.74975073 -0.14062173 -0.10007645 -0.70058420 -0.00000001
|
||
54 -0.00000017 0.00000002 -0.00000001 -0.00000003 0.00000000
|
||
55 -0.00000010 0.00000001 0.00000003 -0.00000002 0.27744021
|
||
56 -0.00000000 0.00000000 -0.00000006 -0.00000001 -0.00610280
|
||
57 0.76098192 -4.05731563 -0.92234460 0.13175429 -0.00000000
|
||
58 -0.00000010 0.00000001 0.00000001 0.00000009 -0.27744021
|
||
59 -4.05731563 -0.76098192 0.13175429 0.92234460 -0.00000001
|
||
60 -0.00000132 0.00000016 -0.00000003 -0.00000006 0.00000000
|
||
61 0.65758745 -3.50604895 -0.55042158 0.07862615 0.00000002
|
||
62 -1.56795276 -0.29408205 0.03516268 0.24615602 -0.00000000
|
||
63 -0.00000051 0.00000006 -0.00000004 -0.00000003 -0.27385840
|
||
64 0.29408205 -1.56795276 -0.24615602 0.03516268 0.00000000
|
||
65 -0.00000000 0.00000001 0.00000006 0.00000001 0.00602401
|
||
66 -0.09825564 0.52386812 0.94503657 -0.13499577 0.00000001
|
||
67 -3.50604895 -0.65758745 0.07862615 0.55042158 0.00000006
|
||
68 -0.00000049 0.00000006 -0.00000003 -0.00000013 0.27385840
|
||
69 0.52386812 0.09825564 -0.13499577 -0.94503657 0.00000003
|
||
70 -0.00000036 0.00000004 -0.00000003 -0.00000007 0.00000000
|
||
51 52 53 54 55
|
||
1 0.00000000 0.00000002 0.00000003 -5.86114535 3.57829672
|
||
2 0.00000000 -0.00000011 -0.00000015 1.11627498 0.89778482
|
||
3 0.00000000 -0.00000013 -0.00000018 3.90797418 -2.89548765
|
||
4 0.00000000 -0.00000000 -0.00000000 1.61839899 -0.88360611
|
||
5 -0.00000003 -1.38379334 0.49782519 0.00000002 0.00000003
|
||
6 0.00000001 0.49782519 1.38379334 -0.00000006 -0.00000010
|
||
7 0.00000000 0.00000000 0.00000001 0.56785094 2.35266853
|
||
8 0.00000008 4.95628253 -1.78304246 -0.00000009 -0.00000017
|
||
9 -0.00000003 -1.78304246 -4.95628253 0.00000030 0.00000054
|
||
10 0.00000000 -0.00000009 -0.00000012 -2.82997442 -11.02891648
|
||
11 -0.00000001 -0.33239999 0.11958223 -0.00000000 0.00000001
|
||
12 0.00000000 0.11958223 0.33239999 0.00000001 -0.00000002
|
||
13 0.00000000 -0.00000004 -0.00000005 0.82793519 0.06783385
|
||
14 0.01358126 0.00000000 0.00000000 0.45054550 -0.26320260
|
||
15 0.82322605 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.00000001 0.24889103 -0.08953954 -0.00000000 0.00000000
|
||
17 -0.01358126 0.00000000 0.00000001 0.45054550 -0.26320260
|
||
18 0.00000000 -0.08953954 -0.24889103 0.00000000 -0.00000001
|
||
19 0.00000000 -0.00000000 -0.00000000 -0.39812759 0.42007551
|
||
20 -0.00528518 0.00000001 0.00000001 -0.66577829 0.73476682
|
||
21 -0.32036036 -0.00000001 0.00000000 0.00000000 0.00000000
|
||
22 -0.00000001 0.24223311 -0.08714433 -0.00000002 -0.00000002
|
||
23 0.00528518 0.00000001 0.00000002 -0.66577829 0.73476682
|
||
24 0.00000000 -0.08714433 -0.24223311 0.00000006 0.00000005
|
||
25 0.00000000 -0.00000002 -0.00000002 0.15029517 -1.47669171
|
||
26 -0.00000003 -3.15344240 1.13446351 0.00000003 0.00000008
|
||
27 0.00000001 0.50734751 1.41026231 -0.00000005 -0.00000011
|
||
28 -0.00521695 0.00000002 0.00000002 0.62097588 2.49474393
|
||
29 -0.00000004 -1.41026231 0.50734751 0.00000002 0.00000003
|
||
30 -0.31622445 -0.00000001 0.00000000 0.00000000 0.00000000
|
||
31 -0.00000003 -0.40538890 0.14584028 0.00000001 0.00000003
|
||
32 0.00000001 1.13446351 3.15344240 -0.00000011 -0.00000024
|
||
33 0.00521695 0.00000002 0.00000003 0.62097588 2.49474393
|
||
34 0.00000001 0.14584028 0.40538890 -0.00000002 -0.00000009
|
||
35 0.00000000 0.00000001 0.00000001 1.66431528 4.69775881
|
||
36 0.00000000 -0.00000002 -0.00000003 -5.86114535 3.57829672
|
||
37 0.00000000 0.00000011 0.00000015 1.11627498 0.89778482
|
||
38 0.00000000 0.00000013 0.00000018 3.90797418 -2.89548765
|
||
39 0.00000000 0.00000000 0.00000000 1.61839899 -0.88360611
|
||
40 0.00000003 -1.38379334 0.49782519 -0.00000002 -0.00000003
|
||
41 -0.00000001 0.49782519 1.38379334 0.00000006 0.00000010
|
||
42 0.00000000 0.00000000 0.00000001 -0.56785094 -2.35266853
|
||
43 -0.00000008 4.95628253 -1.78304246 0.00000009 0.00000017
|
||
44 0.00000003 -1.78304246 -4.95628253 -0.00000030 -0.00000054
|
||
45 0.00000000 -0.00000009 -0.00000012 2.82997442 11.02891648
|
||
46 0.00000001 -0.33239999 0.11958223 0.00000000 -0.00000001
|
||
47 -0.00000000 0.11958223 0.33239999 -0.00000001 0.00000002
|
||
48 0.00000000 -0.00000004 -0.00000005 -0.82793519 -0.06783385
|
||
49 0.01358126 -0.00000000 -0.00000000 0.45054550 -0.26320260
|
||
50 0.82322605 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
51 -0.00000001 -0.24889103 0.08953954 -0.00000000 0.00000000
|
||
52 -0.01358126 -0.00000000 -0.00000001 0.45054550 -0.26320260
|
||
53 0.00000000 0.08953954 0.24889103 0.00000000 -0.00000001
|
||
54 0.00000000 0.00000000 0.00000000 -0.39812759 0.42007551
|
||
55 -0.00528518 -0.00000001 -0.00000001 -0.66577829 0.73476682
|
||
56 -0.32036036 0.00000001 -0.00000000 0.00000000 0.00000000
|
||
57 -0.00000001 -0.24223311 0.08714433 -0.00000002 -0.00000002
|
||
58 0.00528518 -0.00000001 -0.00000002 -0.66577829 0.73476682
|
||
59 0.00000000 0.08714433 0.24223311 0.00000006 0.00000005
|
||
60 0.00000000 0.00000002 0.00000002 0.15029517 -1.47669171
|
||
61 0.00000003 -3.15344240 1.13446351 -0.00000003 -0.00000008
|
||
62 -0.00000001 0.50734751 1.41026231 0.00000005 0.00000011
|
||
63 0.00521695 0.00000002 0.00000002 -0.62097588 -2.49474393
|
||
64 0.00000004 -1.41026231 0.50734751 -0.00000002 -0.00000003
|
||
65 0.31622445 -0.00000001 0.00000000 0.00000000 0.00000000
|
||
66 0.00000003 -0.40538890 0.14584028 -0.00000001 -0.00000003
|
||
67 -0.00000001 1.13446351 3.15344240 0.00000011 0.00000024
|
||
68 -0.00521695 0.00000002 0.00000003 -0.62097588 -2.49474393
|
||
69 -0.00000001 0.14584028 0.40538890 0.00000002 0.00000009
|
||
70 0.00000000 0.00000001 0.00000001 -1.66431528 -4.69775881
|
||
56 57 58 59 60
|
||
1 2.51216325 -0.00000007 0.00000001 -0.00000003 0.00000002
|
||
2 -50.74092100 -0.00000008 0.00000001 0.00000013 -0.00000012
|
||
3 -12.69543133 0.00000007 -0.00000001 -0.00000006 0.00000005
|
||
4 -1.17050621 0.00000002 -0.00000000 0.00000000 -0.00000000
|
||
5 -0.00000000 0.40274088 -2.53767698 0.14193913 0.08723277
|
||
6 0.00000001 -2.53767698 -0.40274088 -0.08723277 0.14193913
|
||
7 4.70443589 -0.00000012 0.00000002 -0.00000005 0.00000004
|
||
8 0.00000001 -1.93023461 12.16244033 2.91093979 1.78900158
|
||
9 -0.00000003 12.16244033 1.93023461 -1.78900158 2.91093979
|
||
10 -45.89041819 0.00000054 -0.00000008 0.00000028 -0.00000024
|
||
11 -0.00000000 0.11139329 -0.70189098 -0.20892386 -0.12840015
|
||
12 0.00000000 -0.70189098 -0.11139329 0.12840015 -0.20892386
|
||
13 -5.59256449 -0.00000001 0.00000000 -0.00000003 0.00000002
|
||
14 0.27015412 0.00000001 -0.00000000 0.00000001 -0.00000006
|
||
15 0.00000000 0.00000000 -0.00000000 0.00000007 0.00000002
|
||
16 0.00000000 0.04969877 -0.31315280 -0.16976192 -0.10433206
|
||
17 0.27015412 0.00000001 -0.00000000 -0.00000002 0.00000007
|
||
18 -0.00000000 -0.31315280 -0.04969877 0.10433206 -0.16976192
|
||
19 -3.29982750 -0.00000001 0.00000000 0.00000000 -0.00000000
|
||
20 -2.35131645 -0.00000002 0.00000000 0.00000002 -0.00000003
|
||
21 0.00000000 -0.00000000 0.00000000 0.00000002 0.00000000
|
||
22 -0.00000000 -0.13251044 0.83495049 -0.19606829 -0.12049939
|
||
23 -2.35131645 -0.00000002 0.00000000 0.00000001 0.00000000
|
||
24 0.00000000 0.83495049 0.13251044 0.12049939 -0.19606829
|
||
25 -10.80921388 0.00000007 -0.00000001 0.00000003 -0.00000002
|
||
26 -0.00000001 0.91739958 -5.78054995 -1.38749093 -0.85272237
|
||
27 0.00000001 -2.58514053 -0.41027356 0.38134904 -0.62050481
|
||
28 3.73872119 -0.00000012 0.00000002 -0.00000003 -0.00000002
|
||
29 -0.00000000 0.41027356 -2.58514053 -0.62050481 -0.38134904
|
||
30 0.00000000 0.00000000 -0.00000000 0.00000007 0.00000002
|
||
31 -0.00000000 0.38117358 -2.40178106 -1.42574170 -0.87623048
|
||
32 0.00000002 -5.78054995 -0.91739958 0.85272237 -1.38749093
|
||
33 3.73872119 -0.00000012 0.00000002 -0.00000006 0.00000010
|
||
34 0.00000000 -2.40178106 -0.38117358 0.87623048 -1.42574170
|
||
35 8.40696617 -0.00000023 0.00000003 -0.00000011 0.00000009
|
||
36 -2.51216325 -0.00000007 0.00000001 0.00000003 -0.00000002
|
||
37 50.74092100 -0.00000008 0.00000001 -0.00000013 0.00000012
|
||
38 12.69543133 0.00000007 -0.00000001 0.00000006 -0.00000005
|
||
39 1.17050621 0.00000002 -0.00000000 -0.00000000 0.00000000
|
||
40 -0.00000000 -0.40274088 2.53767698 0.14193913 0.08723277
|
||
41 0.00000001 2.53767698 0.40274088 -0.08723277 0.14193913
|
||
42 4.70443589 0.00000012 -0.00000002 -0.00000005 0.00000004
|
||
43 0.00000001 1.93023461 -12.16244033 2.91093979 1.78900158
|
||
44 -0.00000003 -12.16244033 -1.93023461 -1.78900158 2.91093979
|
||
45 -45.89041819 -0.00000054 0.00000008 0.00000028 -0.00000024
|
||
46 -0.00000000 -0.11139329 0.70189098 -0.20892386 -0.12840015
|
||
47 0.00000000 0.70189098 0.11139329 0.12840015 -0.20892386
|
||
48 -5.59256449 0.00000001 -0.00000000 -0.00000003 0.00000002
|
||
49 -0.27015412 0.00000001 -0.00000000 -0.00000001 0.00000006
|
||
50 0.00000000 0.00000000 -0.00000000 -0.00000007 -0.00000002
|
||
51 -0.00000000 0.04969877 -0.31315280 0.16976192 0.10433206
|
||
52 -0.27015412 0.00000001 -0.00000000 0.00000002 -0.00000007
|
||
53 0.00000000 -0.31315280 -0.04969877 -0.10433206 0.16976192
|
||
54 3.29982750 -0.00000001 0.00000000 -0.00000000 0.00000000
|
||
55 2.35131645 -0.00000002 0.00000000 -0.00000002 0.00000003
|
||
56 0.00000000 -0.00000000 0.00000000 -0.00000002 -0.00000000
|
||
57 0.00000000 -0.13251044 0.83495049 0.19606829 0.12049939
|
||
58 2.35131645 -0.00000002 0.00000000 -0.00000001 -0.00000000
|
||
59 -0.00000000 0.83495049 0.13251044 -0.12049939 0.19606829
|
||
60 10.80921388 0.00000007 -0.00000001 -0.00000003 0.00000002
|
||
61 -0.00000001 -0.91739958 5.78054995 -1.38749093 -0.85272237
|
||
62 0.00000001 2.58514053 0.41027356 0.38134904 -0.62050481
|
||
63 3.73872119 0.00000012 -0.00000002 -0.00000003 -0.00000002
|
||
64 -0.00000000 -0.41027356 2.58514053 -0.62050481 -0.38134904
|
||
65 0.00000000 -0.00000000 0.00000000 0.00000007 0.00000002
|
||
66 -0.00000000 -0.38117358 2.40178106 -1.42574170 -0.87623048
|
||
67 0.00000002 5.78054995 0.91739958 0.85272237 -1.38749093
|
||
68 3.73872119 0.00000012 -0.00000002 -0.00000006 0.00000010
|
||
69 0.00000000 2.40178106 0.38117358 0.87623048 -1.42574170
|
||
70 8.40696617 0.00000023 -0.00000003 -0.00000011 0.00000009
|
||
61 62 63 64 65
|
||
1 0.00000000 0.00000000 3.81955036 4.51602907 -0.88992469
|
||
2 0.00000000 0.00000000 15.59586236 -7.66720323 83.75802105
|
||
3 0.00000000 0.00000000 6.59489337 -3.92179615 17.94388751
|
||
4 0.00000000 0.00000000 -0.68792854 -1.08914664 0.65076197
|
||
5 -0.00000001 -0.00000002 0.00000000 0.00000001 -0.00000000
|
||
6 -0.00000002 0.00000001 -0.00000000 -0.00000003 0.00000000
|
||
7 0.00000000 0.00000000 0.43546881 -0.77673438 -9.91562796
|
||
8 -0.00000006 -0.00000018 0.00000002 0.00000004 -0.00000001
|
||
9 -0.00000018 0.00000006 -0.00000005 -0.00000012 0.00000002
|
||
10 0.00000000 0.00000000 5.57967293 1.66049385 84.61793647
|
||
11 0.00000000 0.00000001 -0.00000000 0.00000001 0.00000000
|
||
12 0.00000001 -0.00000000 0.00000000 -0.00000002 -0.00000000
|
||
13 0.00000000 0.00000000 3.83517823 0.45483070 8.13282321
|
||
14 -1.03614113 -0.00211886 -0.72140414 1.16587293 -2.18168244
|
||
15 -0.00244665 1.19643272 0.00000000 0.00000000 0.00000000
|
||
16 0.00000000 0.00000001 -0.00000000 0.00000002 0.00000000
|
||
17 1.03614113 0.00211886 -0.72140414 1.16587293 -2.18168244
|
||
18 0.00000001 -0.00000000 0.00000000 -0.00000007 -0.00000000
|
||
19 0.00000000 0.00000000 0.63379126 2.53724675 3.83858470
|
||
20 -0.28169514 -0.00057605 0.03270236 1.02713652 3.39008009
|
||
21 -0.00066517 0.32527353 0.00000000 0.00000000 0.00000000
|
||
22 0.00000000 0.00000001 -0.00000000 0.00000002 0.00000000
|
||
23 0.28169514 0.00057605 0.03270236 1.02713652 3.39008009
|
||
24 0.00000001 -0.00000000 0.00000000 -0.00000006 -0.00000000
|
||
25 0.00000000 0.00000000 3.21317350 2.81843282 17.53920805
|
||
26 0.00000003 0.00000008 -0.00000001 -0.00000001 0.00000000
|
||
27 0.00000004 -0.00000001 0.00000001 0.00000001 -0.00000001
|
||
28 -0.97677715 -0.00199747 0.34896109 -0.28179509 -9.85402046
|
||
29 0.00000001 0.00000004 -0.00000000 -0.00000000 0.00000000
|
||
30 -0.00230648 1.12788511 0.00000000 0.00000000 0.00000000
|
||
31 0.00000003 0.00000010 -0.00000001 0.00000001 0.00000000
|
||
32 0.00000008 -0.00000003 0.00000002 0.00000002 -0.00000001
|
||
33 0.97677715 0.00199747 0.34896109 -0.28179509 -9.85402046
|
||
34 0.00000010 -0.00000003 0.00000003 -0.00000004 -0.00000001
|
||
35 0.00000000 0.00000000 2.44741917 1.10362224 -18.69455405
|
||
36 0.00000000 0.00000000 -3.81955036 4.51602907 0.88992469
|
||
37 0.00000000 0.00000000 -15.59586236 -7.66720323 -83.75802105
|
||
38 0.00000000 0.00000000 -6.59489337 -3.92179615 -17.94388751
|
||
39 0.00000000 0.00000000 0.68792854 -1.08914664 -0.65076197
|
||
40 -0.00000001 -0.00000002 0.00000000 -0.00000001 -0.00000000
|
||
41 -0.00000002 0.00000001 -0.00000000 0.00000003 0.00000000
|
||
42 0.00000000 0.00000000 0.43546881 0.77673438 -9.91562796
|
||
43 -0.00000006 -0.00000018 0.00000002 -0.00000004 -0.00000001
|
||
44 -0.00000018 0.00000006 -0.00000005 0.00000012 0.00000002
|
||
45 0.00000000 0.00000000 5.57967293 -1.66049385 84.61793647
|
||
46 0.00000000 0.00000001 -0.00000000 -0.00000001 0.00000000
|
||
47 0.00000001 -0.00000000 0.00000000 0.00000002 -0.00000000
|
||
48 0.00000000 0.00000000 3.83517823 -0.45483070 8.13282321
|
||
49 1.03614113 0.00211886 0.72140414 1.16587293 2.18168244
|
||
50 0.00244665 -1.19643272 0.00000000 0.00000000 0.00000000
|
||
51 -0.00000000 -0.00000001 0.00000000 0.00000002 -0.00000000
|
||
52 -1.03614113 -0.00211886 0.72140414 1.16587293 2.18168244
|
||
53 -0.00000001 0.00000000 -0.00000000 -0.00000007 0.00000000
|
||
54 0.00000000 0.00000000 -0.63379126 2.53724675 -3.83858470
|
||
55 0.28169514 0.00057605 -0.03270236 1.02713652 -3.39008009
|
||
56 0.00066517 -0.32527353 0.00000000 0.00000000 0.00000000
|
||
57 -0.00000000 -0.00000001 0.00000000 0.00000002 -0.00000000
|
||
58 -0.28169514 -0.00057605 -0.03270236 1.02713652 -3.39008009
|
||
59 -0.00000001 0.00000000 -0.00000000 -0.00000006 0.00000000
|
||
60 0.00000000 0.00000000 -3.21317350 2.81843282 -17.53920805
|
||
61 0.00000003 0.00000008 -0.00000001 0.00000001 0.00000000
|
||
62 0.00000004 -0.00000001 0.00000001 -0.00000001 -0.00000001
|
||
63 -0.97677715 -0.00199747 0.34896109 0.28179509 -9.85402046
|
||
64 0.00000001 0.00000004 -0.00000000 0.00000000 0.00000000
|
||
65 -0.00230648 1.12788511 0.00000000 0.00000000 0.00000000
|
||
66 0.00000003 0.00000010 -0.00000001 -0.00000001 0.00000000
|
||
67 0.00000008 -0.00000003 0.00000002 -0.00000002 -0.00000001
|
||
68 0.97677715 0.00199747 0.34896109 0.28179509 -9.85402046
|
||
69 0.00000010 -0.00000003 0.00000003 0.00000004 -0.00000001
|
||
70 0.00000000 0.00000000 2.44741917 -1.10362224 -18.69455405
|
||
66 67 68 69 70
|
||
1 0.00000011 0.00000003 -9.18364312 60.70387886 65.73880852
|
||
2 -0.00000020 -0.00000006 -61.78402752 -26.20761027 -29.92901116
|
||
3 -0.00000010 -0.00000003 5.45042030 -33.45634295 -40.02995544
|
||
4 -0.00000003 -0.00000001 0.90947903 -17.56983319 -18.05532770
|
||
5 -0.04661859 -1.59572220 -0.00000000 -0.00000000 0.00000000
|
||
6 1.59572220 -0.04661859 0.00000000 0.00000000 0.00000000
|
||
7 -0.00000002 -0.00000001 19.73565864 0.08951904 2.26998792
|
||
8 -0.09111885 -3.11893550 0.00000000 0.00000001 0.00000000
|
||
9 3.11893550 -0.09111885 -0.00000000 -0.00000002 0.00000000
|
||
10 0.00000005 0.00000001 -93.92822015 0.27142917 -1.51764588
|
||
11 -0.02702468 -0.92503616 -0.00000000 -0.00000000 0.00000000
|
||
12 0.92503616 -0.02702468 0.00000000 0.00000000 -0.00000000
|
||
13 0.00000001 0.00000000 -3.37372180 -0.79173059 -0.71566643
|
||
14 0.00000003 0.00000001 -0.37945182 3.60673007 3.34289609
|
||
15 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.07873279 -2.69496917 0.00000000 -0.00000000 0.00000000
|
||
17 0.00000003 0.00000001 -0.37945182 3.60673007 3.34289609
|
||
18 2.69496917 -0.07873279 0.00000000 0.00000000 0.00000000
|
||
19 0.00000007 0.00000002 -1.20207590 2.52874857 5.17938543
|
||
20 0.00000003 0.00000001 -7.70746399 2.77894470 2.96105218
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 -0.06091278 -2.08500253 0.00000000 0.00000000 0.00000000
|
||
23 0.00000003 0.00000001 -7.70746399 2.77894470 2.96105218
|
||
24 2.08500253 -0.06091278 0.00000000 -0.00000000 0.00000000
|
||
25 0.00000008 0.00000002 -19.69402165 1.32064198 2.62470774
|
||
26 -0.00151939 -0.05200784 -0.00000000 -0.00000000 0.00000000
|
||
27 0.02325861 -0.00067949 0.00000000 0.00000000 0.00000000
|
||
28 -0.00000001 -0.00000000 13.09877648 -0.01166266 -0.15896186
|
||
29 -0.00067949 -0.02325861 -0.00000000 -0.00000000 0.00000000
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.05669053 -1.94047771 -0.00000000 -0.00000000 0.00000000
|
||
32 0.05200784 -0.00151939 0.00000000 0.00000001 0.00000000
|
||
33 -0.00000001 -0.00000000 13.09877648 -0.01166266 -0.15896186
|
||
34 1.94047771 -0.05669053 0.00000000 0.00000000 -0.00000000
|
||
35 0.00000003 0.00000001 27.42830860 -1.60961507 0.93931339
|
||
36 0.00000011 0.00000003 9.18364312 60.70387886 -65.73880852
|
||
37 -0.00000020 -0.00000006 61.78402752 -26.20761026 29.92901116
|
||
38 -0.00000010 -0.00000003 -5.45042030 -33.45634295 40.02995544
|
||
39 -0.00000003 -0.00000001 -0.90947903 -17.56983319 18.05532770
|
||
40 0.04661859 1.59572220 -0.00000000 0.00000000 0.00000000
|
||
41 -1.59572220 0.04661859 0.00000000 -0.00000000 0.00000000
|
||
42 0.00000002 0.00000001 19.73565864 -0.08951904 2.26998792
|
||
43 0.09111885 3.11893550 0.00000000 -0.00000001 0.00000000
|
||
44 -3.11893550 0.09111885 -0.00000000 0.00000002 0.00000000
|
||
45 -0.00000005 -0.00000001 -93.92822015 -0.27142917 -1.51764588
|
||
46 0.02702468 0.92503616 -0.00000000 0.00000000 0.00000000
|
||
47 -0.92503616 0.02702468 0.00000000 -0.00000000 -0.00000000
|
||
48 -0.00000001 -0.00000000 -3.37372180 0.79173059 -0.71566643
|
||
49 0.00000003 0.00000001 0.37945182 3.60673007 -3.34289609
|
||
50 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.07873279 -2.69496917 0.00000000 -0.00000000 0.00000000
|
||
52 0.00000003 0.00000001 0.37945182 3.60673007 -3.34289609
|
||
53 2.69496917 -0.07873279 -0.00000000 0.00000000 0.00000000
|
||
54 0.00000007 0.00000002 1.20207590 2.52874857 -5.17938543
|
||
55 0.00000003 0.00000001 7.70746399 2.77894470 -2.96105218
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 -0.06091278 -2.08500253 0.00000000 0.00000000 0.00000000
|
||
58 0.00000003 0.00000001 7.70746399 2.77894470 -2.96105218
|
||
59 2.08500253 -0.06091278 -0.00000000 -0.00000000 0.00000000
|
||
60 0.00000008 0.00000002 19.69402165 1.32064198 -2.62470774
|
||
61 0.00151939 0.05200784 -0.00000000 0.00000000 0.00000000
|
||
62 -0.02325861 0.00067949 0.00000000 -0.00000000 0.00000000
|
||
63 0.00000001 0.00000000 13.09877648 0.01166266 -0.15896186
|
||
64 0.00067949 0.02325861 -0.00000000 0.00000000 0.00000000
|
||
65 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.05669053 1.94047771 -0.00000000 0.00000000 0.00000000
|
||
67 -0.05200784 0.00151939 0.00000000 -0.00000001 0.00000000
|
||
68 0.00000001 0.00000000 13.09877648 0.01166266 -0.15896186
|
||
69 -1.94047771 0.05669053 0.00000000 -0.00000000 -0.00000000
|
||
70 -0.00000003 -0.00000001 27.42830860 1.60961507 0.93931339
|
||
|
||
-----------------------------------------
|
||
UHF spin-down orbital coefficients
|
||
-----------------------------------------
|
||
1 2 3 4 5
|
||
1 -0.84439215 -0.31872723 -0.16406532 0.00000000 0.00000002
|
||
2 0.06762843 -0.82619590 0.08005608 0.00000002 0.00000036
|
||
3 0.23840951 0.48739572 -1.39556321 -0.00000017 -0.00000307
|
||
4 0.07065004 -3.54306505 1.12774692 0.00000009 0.00000167
|
||
5 0.00000000 0.00000002 -0.00000001 0.42191686 0.10686742
|
||
6 -0.00000000 -0.00000005 0.00000003 0.10686742 -0.42191686
|
||
7 -0.01105395 0.04785248 0.07309393 -0.00000000 -0.00000001
|
||
8 0.00000000 -0.00000006 0.00000003 -1.51350654 -0.38335641
|
||
9 -0.00000000 0.00000018 -0.00000009 -0.38335641 1.51350654
|
||
10 0.00994223 -0.44851677 -0.30335303 0.00000001 0.00000011
|
||
11 0.00000002 0.00000003 -0.00000003 0.77439677 0.19614713
|
||
12 -0.00000007 -0.00000009 0.00000011 0.19614713 -0.77439677
|
||
13 -0.04475460 -0.27513649 0.19228517 -0.00000003 -0.00000048
|
||
14 -0.00219648 -0.00477113 0.01440456 0.00000000 0.00000001
|
||
15 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000000
|
||
16 0.00000000 0.00000000 -0.00000000 -0.00306030 -0.00077514
|
||
17 -0.00219648 -0.00477113 0.01440456 -0.00000000 0.00000001
|
||
18 -0.00000000 -0.00000000 0.00000000 -0.00077514 0.00306030
|
||
19 -0.00409231 -0.01597951 0.03363907 0.00000000 0.00000000
|
||
20 -0.00483117 -0.15237003 0.17349845 -0.00000001 0.00000014
|
||
21 0.00000000 0.00000000 0.00000000 0.00000002 0.00000001
|
||
22 0.00000000 -0.00000000 -0.00000001 0.01899103 0.00481024
|
||
23 -0.00483117 -0.15237003 0.17349845 0.00000002 0.00000010
|
||
24 -0.00000001 0.00000001 0.00000002 0.00481024 -0.01899103
|
||
25 -0.00870732 -0.28738404 0.26245950 0.00000001 0.00000016
|
||
26 0.00000000 0.00000002 -0.00000001 0.61881750 0.15674042
|
||
27 -0.00000000 -0.00000003 0.00000002 0.07009645 -0.27674360
|
||
28 -0.00348659 0.02388654 0.05152431 -0.00000000 0.00000001
|
||
29 0.00000000 0.00000001 -0.00000001 0.27674360 0.07009645
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.00000000 0.00000001 -0.00000001 0.27813549 0.07044900
|
||
32 -0.00000001 -0.00000008 0.00000004 0.15674042 -0.61881750
|
||
33 -0.00348659 0.02388654 0.05152431 0.00000000 0.00000000
|
||
34 -0.00000000 -0.00000003 0.00000002 0.07044900 -0.27813549
|
||
35 -0.00939887 0.05446583 0.16756966 -0.00000000 -0.00000001
|
||
36 -0.84439215 0.31872723 -0.16406532 -0.00000000 -0.00000002
|
||
37 0.06762843 0.82619590 0.08005608 -0.00000002 -0.00000036
|
||
38 0.23840951 -0.48739572 -1.39556321 0.00000017 0.00000307
|
||
39 0.07065004 3.54306505 1.12774692 -0.00000009 -0.00000167
|
||
40 -0.00000000 0.00000002 0.00000001 0.42191686 0.10686742
|
||
41 0.00000000 -0.00000005 -0.00000003 0.10686742 -0.42191686
|
||
42 0.01105395 0.04785248 -0.07309393 -0.00000000 -0.00000001
|
||
43 -0.00000000 -0.00000006 -0.00000003 -1.51350654 -0.38335641
|
||
44 0.00000000 0.00000018 0.00000009 -0.38335641 1.51350654
|
||
45 -0.00994223 -0.44851677 0.30335303 0.00000001 0.00000011
|
||
46 -0.00000002 0.00000003 0.00000003 0.77439677 0.19614713
|
||
47 0.00000007 -0.00000009 -0.00000011 0.19614713 -0.77439677
|
||
48 0.04475460 -0.27513649 -0.19228517 -0.00000003 -0.00000048
|
||
49 -0.00219648 0.00477113 0.01440456 -0.00000000 -0.00000001
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 0.00000000 -0.00000000 -0.00000000 0.00306030 0.00077514
|
||
52 -0.00219648 0.00477113 0.01440456 0.00000000 -0.00000001
|
||
53 -0.00000000 0.00000000 0.00000000 0.00077514 -0.00306030
|
||
54 -0.00409231 0.01597951 0.03363907 -0.00000000 -0.00000000
|
||
55 -0.00483117 0.15237003 0.17349845 0.00000001 -0.00000014
|
||
56 0.00000000 0.00000000 0.00000000 -0.00000002 -0.00000001
|
||
57 0.00000000 0.00000000 -0.00000001 -0.01899103 -0.00481024
|
||
58 -0.00483117 0.15237003 0.17349845 -0.00000002 -0.00000010
|
||
59 -0.00000001 -0.00000001 0.00000002 -0.00481024 0.01899103
|
||
60 -0.00870732 0.28738404 0.26245950 -0.00000001 -0.00000016
|
||
61 -0.00000000 0.00000002 0.00000001 0.61881750 0.15674042
|
||
62 0.00000000 -0.00000003 -0.00000002 0.07009645 -0.27674360
|
||
63 0.00348659 0.02388654 -0.05152431 -0.00000000 0.00000001
|
||
64 -0.00000000 0.00000001 0.00000001 0.27674360 0.07009645
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000000 0.00000001 0.00000001 0.27813549 0.07044900
|
||
67 0.00000001 -0.00000008 -0.00000004 0.15674042 -0.61881750
|
||
68 0.00348659 0.02388654 -0.05152431 0.00000000 0.00000000
|
||
69 0.00000000 -0.00000003 -0.00000002 0.07044900 -0.27813549
|
||
70 0.00939887 0.05446583 -0.16756966 -0.00000000 -0.00000001
|
||
6 7 8 9 10
|
||
1 0.06350705 0.00000032 0.00000056 0.16771897 -1.75087221
|
||
2 -1.36995520 -0.00000047 -0.00000080 -0.39034781 -0.70662127
|
||
3 5.43105377 -0.00000166 -0.00000287 -1.15246762 4.01547208
|
||
4 -3.69774058 0.00000057 0.00000099 0.44353956 -0.28824211
|
||
5 0.00000005 0.49749007 -0.11263144 -0.00000036 0.00000003
|
||
6 -0.00000016 -0.11263144 -0.49749007 0.00000114 -0.00000010
|
||
7 0.03990587 0.00000046 0.00000079 0.39272328 -0.03960323
|
||
8 -0.00000019 -1.37082459 0.31035383 0.00000094 -0.00000010
|
||
9 0.00000060 0.31035383 1.37082459 -0.00000301 0.00000032
|
||
10 -0.53462902 -0.00000168 -0.00000290 -1.43984668 0.11625674
|
||
11 0.00000008 2.58917409 -0.58618739 -0.00000193 0.00000009
|
||
12 -0.00000027 -0.58618739 -2.58917409 0.00000618 -0.00000030
|
||
13 0.30273242 0.00000251 0.00000432 2.08163494 0.53474333
|
||
14 -0.01575736 0.00000002 0.00000004 0.01552486 -0.03518421
|
||
15 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
16 -0.00000000 0.03436877 -0.00778107 -0.00000003 0.00000000
|
||
17 -0.01575736 0.00000002 0.00000004 0.01552486 -0.03518421
|
||
18 0.00000000 -0.00778107 -0.03436877 0.00000009 -0.00000000
|
||
19 -0.01724195 0.00000004 0.00000007 0.02918386 -0.10334329
|
||
20 -0.37315145 0.00000002 0.00000005 -0.01607970 -0.69454208
|
||
21 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
||
22 0.00000001 0.44387826 -0.10049376 -0.00000036 0.00000001
|
||
23 -0.37315145 0.00000002 0.00000002 -0.01607970 -0.69454208
|
||
24 -0.00000003 -0.10049376 -0.44387826 0.00000114 -0.00000003
|
||
25 -0.54220410 0.00000068 0.00000118 0.50286536 -0.69892077
|
||
26 0.00000007 0.67363975 -0.15251162 -0.00000048 0.00000004
|
||
27 -0.00000011 -0.06820527 -0.30126085 0.00000069 -0.00000006
|
||
28 0.00204823 0.00000029 0.00000050 0.25115872 -0.02476828
|
||
29 0.00000003 0.30126085 -0.06820527 -0.00000021 0.00000002
|
||
30 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
31 0.00000003 0.38709801 -0.08763875 -0.00000028 0.00000002
|
||
32 -0.00000024 -0.15251162 -0.67363975 0.00000154 -0.00000014
|
||
33 0.00204823 0.00000029 0.00000051 0.25115872 -0.02476828
|
||
34 -0.00000011 -0.08763875 -0.38709801 0.00000090 -0.00000007
|
||
35 0.03435321 0.00000083 0.00000142 0.69069889 -0.16796797
|
||
36 -0.06350705 0.00000032 0.00000056 0.16771897 -1.75087221
|
||
37 1.36995520 -0.00000047 -0.00000080 -0.39034781 -0.70662127
|
||
38 -5.43105377 -0.00000166 -0.00000287 -1.15246762 4.01547208
|
||
39 3.69774058 0.00000057 0.00000099 0.44353956 -0.28824211
|
||
40 0.00000005 -0.49749007 0.11263144 0.00000036 -0.00000003
|
||
41 -0.00000016 0.11263144 0.49749007 -0.00000114 0.00000010
|
||
42 0.03990587 -0.00000046 -0.00000079 -0.39272328 0.03960323
|
||
43 -0.00000019 1.37082459 -0.31035383 -0.00000094 0.00000010
|
||
44 0.00000060 -0.31035383 -1.37082459 0.00000301 -0.00000032
|
||
45 -0.53462902 0.00000168 0.00000290 1.43984668 -0.11625674
|
||
46 0.00000008 -2.58917409 0.58618739 0.00000193 -0.00000009
|
||
47 -0.00000027 0.58618739 2.58917409 -0.00000618 0.00000030
|
||
48 0.30273242 -0.00000251 -0.00000432 -2.08163494 -0.53474333
|
||
49 0.01575736 0.00000002 0.00000004 0.01552486 -0.03518421
|
||
50 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
51 0.00000000 0.03436877 -0.00778107 -0.00000003 0.00000000
|
||
52 0.01575736 0.00000002 0.00000004 0.01552486 -0.03518421
|
||
53 -0.00000000 -0.00778107 -0.03436877 0.00000009 -0.00000000
|
||
54 0.01724195 0.00000004 0.00000007 0.02918386 -0.10334329
|
||
55 0.37315145 0.00000002 0.00000005 -0.01607970 -0.69454208
|
||
56 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
|
||
57 -0.00000001 0.44387826 -0.10049376 -0.00000036 0.00000001
|
||
58 0.37315145 0.00000002 0.00000002 -0.01607970 -0.69454208
|
||
59 0.00000003 -0.10049376 -0.44387826 0.00000114 -0.00000003
|
||
60 0.54220410 0.00000068 0.00000118 0.50286536 -0.69892077
|
||
61 0.00000007 -0.67363975 0.15251162 0.00000048 -0.00000004
|
||
62 -0.00000011 0.06820527 0.30126085 -0.00000069 0.00000006
|
||
63 0.00204823 -0.00000029 -0.00000050 -0.25115872 0.02476828
|
||
64 0.00000003 -0.30126085 0.06820527 0.00000021 -0.00000002
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.00000003 -0.38709801 0.08763875 0.00000028 -0.00000002
|
||
67 -0.00000024 0.15251162 0.67363975 -0.00000154 0.00000014
|
||
68 0.00204823 -0.00000029 -0.00000051 -0.25115872 0.02476828
|
||
69 -0.00000011 0.08763875 0.38709801 -0.00000090 0.00000007
|
||
70 0.03435321 -0.00000083 -0.00000142 -0.69069889 0.16796797
|
||
11 12 13 14 15
|
||
1 0.20709836 1.69917518 0.00000003 -0.00000030 0.00000000
|
||
2 -11.76852890 6.81294785 0.00000010 -0.00000099 0.00000000
|
||
3 -47.91083014 1.43611839 -0.00000004 0.00000044 0.00000000
|
||
4 1.05182273 2.13790329 0.00000003 -0.00000029 0.00000000
|
||
5 0.00000001 0.00000006 -1.28341153 0.26818977 -0.00000004
|
||
6 -0.00000002 -0.00000019 -0.26818977 -1.28341153 -0.00000013
|
||
7 0.32953395 -0.20448034 -0.00000000 0.00000003 0.00000000
|
||
8 -0.00000003 -0.00000023 4.88843725 -1.02151869 0.00000012
|
||
9 0.00000008 0.00000075 1.02151869 4.88843725 0.00000038
|
||
10 -6.96022630 2.93194778 0.00000004 -0.00000042 0.00000000
|
||
11 -0.00000000 0.00000004 -0.89790832 0.18763259 -0.00000009
|
||
12 0.00000000 -0.00000014 -0.18763259 -0.89790832 -0.00000028
|
||
13 -16.31347260 3.15052828 0.00000003 -0.00000026 0.00000000
|
||
14 0.08983081 0.01716255 0.00000000 -0.00000000 0.07809304
|
||
15 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00021745
|
||
16 -0.00000000 0.00000000 0.00792847 -0.00165678 -0.00000000
|
||
17 0.08983081 0.01716255 0.00000000 -0.00000000 -0.07809304
|
||
18 0.00000000 -0.00000000 0.00165678 0.00792847 -0.00000001
|
||
19 -0.31684681 0.09573833 0.00000000 -0.00000001 0.00000000
|
||
20 -0.28980367 1.12992839 0.00000001 -0.00000018 -0.51777932
|
||
21 0.00000000 0.00000000 0.00000002 -0.00000001 0.00144174
|
||
22 0.00000000 0.00000000 -0.00084081 0.00017570 -0.00000004
|
||
23 -0.28980367 1.12992839 0.00000003 -0.00000014 0.51777932
|
||
24 -0.00000000 0.00000000 -0.00017570 -0.00084081 -0.00000012
|
||
25 -3.14335304 2.23702084 0.00000003 -0.00000033 0.00000000
|
||
26 0.00000001 0.00000009 -1.92930875 0.40316053 -0.00000005
|
||
27 -0.00000001 -0.00000013 -0.18029887 -0.86281310 -0.00000009
|
||
28 0.42400851 -0.09161305 -0.00000000 0.00000001 0.01309588
|
||
29 0.00000000 0.00000004 -0.86281310 0.18029887 -0.00000003
|
||
30 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00003647
|
||
31 0.00000000 0.00000004 -0.86691097 0.18115519 -0.00000003
|
||
32 -0.00000003 -0.00000029 -0.40316053 -1.92930875 -0.00000017
|
||
33 0.42400851 -0.09161305 -0.00000000 0.00000001 -0.01309588
|
||
34 -0.00000001 -0.00000013 -0.18115519 -0.86691097 -0.00000010
|
||
35 0.55956430 -0.20024205 -0.00000000 0.00000003 0.00000000
|
||
36 -0.20709836 -1.69917518 -0.00000003 0.00000030 0.00000000
|
||
37 11.76852890 -6.81294785 -0.00000010 0.00000099 0.00000000
|
||
38 47.91083014 -1.43611839 0.00000004 -0.00000044 0.00000000
|
||
39 -1.05182272 -2.13790329 -0.00000003 0.00000029 0.00000000
|
||
40 0.00000001 0.00000006 -1.28341153 0.26818977 0.00000004
|
||
41 -0.00000002 -0.00000019 -0.26818977 -1.28341153 0.00000013
|
||
42 0.32953395 -0.20448034 -0.00000000 0.00000003 0.00000000
|
||
43 -0.00000003 -0.00000023 4.88843725 -1.02151869 -0.00000012
|
||
44 0.00000008 0.00000075 1.02151869 4.88843725 -0.00000038
|
||
45 -6.96022630 2.93194778 0.00000004 -0.00000042 0.00000000
|
||
46 -0.00000000 0.00000004 -0.89790832 0.18763259 0.00000009
|
||
47 0.00000000 -0.00000014 -0.18763259 -0.89790832 0.00000028
|
||
48 -16.31347260 3.15052828 0.00000003 -0.00000026 0.00000000
|
||
49 -0.08983081 -0.01716255 -0.00000000 0.00000000 0.07809304
|
||
50 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00021745
|
||
51 0.00000000 -0.00000000 -0.00792847 0.00165678 -0.00000000
|
||
52 -0.08983081 -0.01716255 -0.00000000 0.00000000 -0.07809304
|
||
53 -0.00000000 0.00000000 -0.00165678 -0.00792847 -0.00000001
|
||
54 0.31684681 -0.09573833 -0.00000000 0.00000001 0.00000000
|
||
55 0.28980367 -1.12992839 -0.00000001 0.00000018 -0.51777932
|
||
56 0.00000000 0.00000000 -0.00000002 0.00000001 0.00144174
|
||
57 -0.00000000 0.00000000 0.00084081 -0.00017570 -0.00000004
|
||
58 0.28980367 -1.12992839 -0.00000003 0.00000014 0.51777932
|
||
59 0.00000000 0.00000000 0.00017570 0.00084081 -0.00000012
|
||
60 3.14335304 -2.23702084 -0.00000003 0.00000033 0.00000000
|
||
61 0.00000001 0.00000009 -1.92930875 0.40316053 0.00000005
|
||
62 -0.00000001 -0.00000013 -0.18029887 -0.86281310 0.00000009
|
||
63 0.42400850 -0.09161305 -0.00000000 0.00000001 -0.01309588
|
||
64 0.00000000 0.00000004 -0.86281310 0.18029887 0.00000003
|
||
65 0.00000000 0.00000000 -0.00000000 0.00000000 0.00003647
|
||
66 0.00000000 0.00000004 -0.86691097 0.18115519 0.00000003
|
||
67 -0.00000003 -0.00000029 -0.40316053 -1.92930875 0.00000017
|
||
68 0.42400850 -0.09161305 -0.00000000 0.00000001 0.01309588
|
||
69 -0.00000001 -0.00000013 -0.18115519 -0.86691097 0.00000010
|
||
70 0.55956430 -0.20024205 -0.00000000 0.00000003 0.00000000
|
||
16 17 18 19 20
|
||
1 0.00000000 -0.00255132 -0.00000000 -0.00000001 0.00000000
|
||
2 0.00000000 -1.06923419 -0.00000005 -0.00000063 0.00000000
|
||
3 0.00000000 -1.61799790 -0.00000005 -0.00000062 0.00000000
|
||
4 0.00000000 0.42586490 0.00000001 0.00000018 0.00000000
|
||
5 0.00000013 0.00000013 -0.92335731 -0.20993144 -0.00000002
|
||
6 -0.00000004 -0.00000042 -0.20993144 0.92335731 -0.00000005
|
||
7 0.00000000 0.76679943 0.00000002 0.00000030 0.00000000
|
||
8 -0.00000038 -0.00000025 1.83196891 0.41651035 0.00000015
|
||
9 0.00000012 0.00000079 0.41651035 -1.83196891 0.00000047
|
||
10 0.00000000 -3.06817283 -0.00000010 -0.00000122 0.00000000
|
||
11 0.00000028 0.00000040 -2.62862614 -0.59763569 -0.00000004
|
||
12 -0.00000009 -0.00000127 -0.59763569 2.62862614 -0.00000011
|
||
13 0.00000000 2.02920179 0.00000008 0.00000103 0.00000000
|
||
14 0.00018832 0.05435438 -0.00000000 0.00000003 0.05923668
|
||
15 0.09017407 0.00000000 0.00000001 0.00000001 -0.00001057
|
||
16 0.00000001 0.00000002 -0.12299878 -0.02796459 0.00000002
|
||
17 -0.00018832 0.05435438 0.00000001 0.00000002 -0.05923668
|
||
18 -0.00000000 -0.00000006 -0.02796459 0.12299878 0.00000007
|
||
19 0.00000000 0.11003643 0.00000000 0.00000005 0.00000000
|
||
20 -0.00124859 0.15465988 0.00000002 -0.00000004 -1.24668746
|
||
21 -0.59788006 0.00000000 -0.00000005 -0.00000003 0.00022246
|
||
22 0.00000012 0.00000028 -1.78265677 -0.40529891 -0.00000018
|
||
23 0.00124859 0.15465988 -0.00000002 0.00000004 1.24668746
|
||
24 -0.00000004 -0.00000088 -0.40529891 1.78265677 -0.00000058
|
||
25 0.00000000 1.86445953 0.00000008 0.00000097 0.00000000
|
||
26 0.00000018 0.00000018 -1.22601754 -0.27874327 -0.00000001
|
||
27 -0.00000002 -0.00000025 -0.12465778 0.54829171 -0.00000003
|
||
28 0.00003158 0.50994688 0.00000002 0.00000020 -0.16032258
|
||
29 0.00000007 0.00000008 -0.54829171 -0.12465778 -0.00000001
|
||
30 0.01512181 0.00000000 -0.00000000 -0.00000000 0.00002861
|
||
31 0.00000010 0.00000012 -0.84861671 -0.19293867 -0.00000003
|
||
32 -0.00000006 -0.00000056 -0.27874327 1.22601754 -0.00000005
|
||
33 -0.00003158 0.50994688 0.00000001 0.00000021 0.16032258
|
||
34 -0.00000003 -0.00000039 -0.19293867 0.84861671 -0.00000010
|
||
35 0.00000000 1.54833524 0.00000005 0.00000065 0.00000000
|
||
36 0.00000000 -0.00255132 -0.00000000 -0.00000001 0.00000000
|
||
37 0.00000000 -1.06923419 -0.00000005 -0.00000063 0.00000000
|
||
38 0.00000000 -1.61799790 -0.00000005 -0.00000062 0.00000000
|
||
39 0.00000000 0.42586490 0.00000001 0.00000018 0.00000000
|
||
40 -0.00000013 -0.00000013 0.92335731 0.20993144 -0.00000002
|
||
41 0.00000004 0.00000042 0.20993144 -0.92335731 -0.00000005
|
||
42 0.00000000 -0.76679943 -0.00000002 -0.00000030 0.00000000
|
||
43 0.00000038 0.00000025 -1.83196891 -0.41651035 0.00000015
|
||
44 -0.00000012 -0.00000079 -0.41651035 1.83196891 0.00000047
|
||
45 0.00000000 3.06817283 0.00000010 0.00000122 0.00000000
|
||
46 -0.00000028 -0.00000040 2.62862614 0.59763569 -0.00000004
|
||
47 0.00000009 0.00000127 0.59763569 -2.62862614 -0.00000011
|
||
48 0.00000000 -2.02920179 -0.00000008 -0.00000103 0.00000000
|
||
49 0.00018832 0.05435438 -0.00000000 0.00000003 -0.05923668
|
||
50 0.09017407 0.00000000 0.00000001 0.00000001 0.00001057
|
||
51 0.00000001 0.00000002 -0.12299878 -0.02796459 -0.00000002
|
||
52 -0.00018832 0.05435438 0.00000001 0.00000002 0.05923668
|
||
53 -0.00000000 -0.00000006 -0.02796459 0.12299878 -0.00000007
|
||
54 0.00000000 0.11003643 0.00000000 0.00000005 0.00000000
|
||
55 -0.00124859 0.15465988 0.00000002 -0.00000004 1.24668746
|
||
56 -0.59788006 0.00000000 -0.00000005 -0.00000003 -0.00022246
|
||
57 0.00000012 0.00000028 -1.78265677 -0.40529891 0.00000018
|
||
58 0.00124859 0.15465988 -0.00000002 0.00000004 -1.24668746
|
||
59 -0.00000004 -0.00000088 -0.40529891 1.78265677 0.00000058
|
||
60 0.00000000 1.86445953 0.00000008 0.00000097 0.00000000
|
||
61 -0.00000018 -0.00000018 1.22601754 0.27874327 -0.00000001
|
||
62 0.00000002 0.00000025 0.12465778 -0.54829171 -0.00000003
|
||
63 -0.00003158 -0.50994688 -0.00000002 -0.00000020 -0.16032258
|
||
64 -0.00000007 -0.00000008 0.54829171 0.12465778 -0.00000001
|
||
65 -0.01512181 0.00000000 0.00000000 0.00000000 0.00002861
|
||
66 -0.00000010 -0.00000012 0.84861671 0.19293867 -0.00000003
|
||
67 0.00000006 0.00000056 0.27874327 -1.22601754 -0.00000005
|
||
68 0.00003158 -0.50994688 -0.00000001 -0.00000021 0.16032258
|
||
69 0.00000003 0.00000039 0.19293867 -0.84861671 -0.00000010
|
||
70 0.00000000 -1.54833524 -0.00000005 -0.00000065 0.00000000
|
||
21 22 23 24 25
|
||
1 0.00000000 -0.00000000 -0.00000003 -0.34260258 0.93838221
|
||
2 0.00000000 0.00000027 0.00000271 28.16341704 0.55908471
|
||
3 0.00000000 0.00000034 0.00000346 36.07014261 -3.56250800
|
||
4 0.00000000 0.00000001 0.00000012 0.30265725 0.20778200
|
||
5 0.00000005 0.09827897 0.02036487 0.00000000 0.00000001
|
||
6 -0.00000002 0.02036487 -0.09827897 0.00000000 -0.00000003
|
||
7 0.00000000 -0.00000001 -0.00000007 -0.89083223 0.28407939
|
||
8 -0.00000047 -0.85615927 -0.17740901 0.00000002 -0.00000008
|
||
9 0.00000015 -0.17740901 0.85615927 -0.00000006 0.00000027
|
||
10 0.00000000 0.00000016 0.00000160 17.54013169 -1.15303657
|
||
11 0.00000011 0.19541998 0.04049394 -0.00000001 -0.00000004
|
||
12 -0.00000004 0.04049394 -0.19541998 0.00000002 0.00000013
|
||
13 0.00000000 0.00000014 0.00000143 13.89423736 -0.85427469
|
||
14 0.00000915 0.00000001 -0.00000004 -0.20165992 0.05597459
|
||
15 0.06840062 -0.00000003 -0.00000002 0.00000000 0.00000000
|
||
16 -0.00000007 -0.12025690 -0.02491903 0.00000000 -0.00000000
|
||
17 -0.00000915 -0.00000002 0.00000001 -0.20165992 0.05597459
|
||
18 0.00000002 -0.02491903 0.12025690 -0.00000001 0.00000001
|
||
19 0.00000000 0.00000001 0.00000007 0.79624642 0.18780659
|
||
20 -0.00019265 -0.00000035 0.00000075 0.46780319 1.46251099
|
||
21 -1.43955068 0.00000074 0.00000041 0.00000000 0.00000000
|
||
22 0.00000058 1.01557054 0.21044141 -0.00000003 -0.00000005
|
||
23 0.00019265 0.00000037 -0.00000054 0.46780319 1.46251099
|
||
24 -0.00000018 0.21044141 -1.01557054 0.00000011 0.00000017
|
||
25 0.00000000 0.00000008 0.00000080 7.72952303 0.29301650
|
||
26 0.00000006 0.09784219 0.02027437 0.00000000 0.00000001
|
||
27 -0.00000001 0.00906697 -0.04375636 -0.00000000 -0.00000002
|
||
28 -0.00002478 -0.00000006 -0.00000000 -1.06738734 0.19537473
|
||
29 0.00000002 0.04375636 0.00906697 0.00000000 0.00000001
|
||
30 -0.18512457 0.00000010 0.00000006 0.00000000 0.00000000
|
||
31 0.00000010 0.17827504 0.03694126 -0.00000001 -0.00000000
|
||
32 -0.00000002 0.02027437 -0.09784219 -0.00000000 -0.00000004
|
||
33 0.00002478 0.00000004 -0.00000018 -1.06738734 0.19537473
|
||
34 -0.00000003 0.03694126 -0.17827504 0.00000002 0.00000000
|
||
35 0.00000000 -0.00000001 -0.00000011 -1.46191044 0.53110065
|
||
36 0.00000000 0.00000000 0.00000003 0.34260258 0.93838221
|
||
37 0.00000000 -0.00000027 -0.00000271 -28.16341704 0.55908471
|
||
38 0.00000000 -0.00000034 -0.00000346 -36.07014261 -3.56250799
|
||
39 0.00000000 -0.00000001 -0.00000012 -0.30265725 0.20778200
|
||
40 0.00000005 0.09827897 0.02036487 0.00000000 -0.00000001
|
||
41 -0.00000002 0.02036487 -0.09827897 0.00000000 0.00000003
|
||
42 0.00000000 -0.00000001 -0.00000007 -0.89083223 -0.28407939
|
||
43 -0.00000047 -0.85615927 -0.17740901 0.00000002 0.00000008
|
||
44 0.00000015 -0.17740901 0.85615927 -0.00000006 -0.00000027
|
||
45 0.00000000 0.00000016 0.00000160 17.54013169 1.15303657
|
||
46 0.00000011 0.19541998 0.04049394 -0.00000001 0.00000004
|
||
47 -0.00000004 0.04049394 -0.19541998 0.00000002 -0.00000013
|
||
48 0.00000000 0.00000014 0.00000143 13.89423736 0.85427469
|
||
49 -0.00000915 -0.00000001 0.00000004 0.20165992 0.05597459
|
||
50 -0.06840062 0.00000003 0.00000002 0.00000000 0.00000000
|
||
51 0.00000007 0.12025690 0.02491903 -0.00000000 -0.00000000
|
||
52 0.00000915 0.00000002 -0.00000001 0.20165992 0.05597459
|
||
53 -0.00000002 0.02491903 -0.12025690 0.00000001 0.00000001
|
||
54 0.00000000 -0.00000001 -0.00000007 -0.79624642 0.18780659
|
||
55 0.00019265 0.00000035 -0.00000075 -0.46780319 1.46251099
|
||
56 1.43955068 -0.00000074 -0.00000041 0.00000000 0.00000000
|
||
57 -0.00000058 -1.01557054 -0.21044141 0.00000003 -0.00000005
|
||
58 -0.00019265 -0.00000037 0.00000054 -0.46780319 1.46251099
|
||
59 0.00000018 -0.21044141 1.01557054 -0.00000011 0.00000017
|
||
60 0.00000000 -0.00000008 -0.00000080 -7.72952303 0.29301650
|
||
61 0.00000006 0.09784219 0.02027437 0.00000000 -0.00000001
|
||
62 -0.00000001 0.00906697 -0.04375636 -0.00000000 0.00000002
|
||
63 -0.00002478 -0.00000006 -0.00000000 -1.06738734 -0.19537473
|
||
64 0.00000002 0.04375636 0.00906697 0.00000000 -0.00000001
|
||
65 -0.18512457 0.00000010 0.00000006 0.00000000 0.00000000
|
||
66 0.00000010 0.17827504 0.03694126 -0.00000001 0.00000000
|
||
67 -0.00000002 0.02027437 -0.09784219 -0.00000000 0.00000004
|
||
68 0.00002478 0.00000004 -0.00000018 -1.06738734 -0.19537473
|
||
69 -0.00000003 0.03694126 -0.17827504 0.00000002 -0.00000000
|
||
70 0.00000000 -0.00000001 -0.00000011 -1.46191044 -0.53110065
|
||
26 27 28 29 30
|
||
1 -0.34037216 -0.00000092 -0.00000005 -0.84408349 0.00000001
|
||
2 0.87736170 0.00000651 0.00000033 6.22715012 -0.00000005
|
||
3 11.73477122 0.00000102 0.00000005 0.87387953 0.00000015
|
||
4 -1.81242987 0.00000012 0.00000001 0.11790946 -0.00000002
|
||
5 -0.00000003 0.78363214 3.03874280 -0.00000098 2.53713697
|
||
6 0.00000008 -3.03874280 0.78363214 0.00000315 -0.14349850
|
||
7 -0.11761430 0.00000329 0.00000017 3.21061130 0.00000001
|
||
8 0.00000007 -4.34328772 -16.84225755 0.00000545 -7.83701925
|
||
9 -0.00000022 16.84225755 -4.34328772 -0.00001743 0.44325573
|
||
10 1.63626681 -0.00001282 -0.00000065 -12.47505824 -0.00000005
|
||
11 -0.00000001 -0.32770428 -1.27076084 0.00000041 0.74682585
|
||
12 0.00000002 1.27076084 -0.32770428 -0.00000131 -0.04223989
|
||
13 1.99713175 -0.00000140 -0.00000007 -1.31813973 0.00000003
|
||
14 -0.12589314 -0.00000014 -0.00000001 -0.13574474 -0.00000000
|
||
15 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
16 -0.00000000 -0.09302697 -0.36073690 0.00000012 0.01930933
|
||
17 -0.12589314 -0.00000014 -0.00000001 -0.13574474 -0.00000000
|
||
18 0.00000000 0.36073690 -0.09302697 -0.00000038 -0.00109212
|
||
19 0.12338006 -0.00000018 -0.00000001 -0.16531903 -0.00000000
|
||
20 -1.84118861 0.00000041 0.00000002 0.42708223 -0.00000003
|
||
21 0.00000000 0.00000000 0.00000001 0.00000000 0.00000000
|
||
22 0.00000001 -1.23981960 -4.80773146 0.00000155 -0.06987650
|
||
23 -1.84118861 0.00000040 0.00000002 0.42708223 -0.00000002
|
||
24 -0.00000004 4.80773146 -1.23981960 -0.00000496 0.00395216
|
||
25 -1.02356511 -0.00000580 -0.00000029 -5.53816665 -0.00000003
|
||
26 -0.00000004 1.16604052 4.52163337 -0.00000146 3.82926585
|
||
27 0.00000005 -2.02213592 0.52146917 0.00000209 -0.09685766
|
||
28 -0.37542220 0.00000206 0.00000010 2.01538591 0.00000001
|
||
29 -0.00000002 0.52146917 2.02213592 -0.00000065 1.71249975
|
||
30 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000
|
||
31 -0.00000002 0.33345383 1.29305625 -0.00000042 1.68110866
|
||
32 0.00000012 -4.52163337 1.16604052 0.00000468 -0.21658031
|
||
33 -0.37542220 0.00000206 0.00000010 2.01538591 0.00000000
|
||
34 0.00000005 -1.29305625 0.33345383 0.00000134 -0.09508220
|
||
35 -0.40623539 0.00000370 0.00000019 3.63976146 0.00000001
|
||
36 0.34037216 -0.00000092 -0.00000005 -0.84408349 -0.00000001
|
||
37 -0.87736170 0.00000651 0.00000033 6.22715012 0.00000005
|
||
38 -11.73477122 0.00000102 0.00000005 0.87387953 -0.00000015
|
||
39 1.81242987 0.00000012 0.00000001 0.11790946 0.00000002
|
||
40 -0.00000003 -0.78363214 -3.03874280 0.00000098 2.53713697
|
||
41 0.00000008 3.03874280 -0.78363214 -0.00000315 -0.14349850
|
||
42 -0.11761430 -0.00000329 -0.00000017 -3.21061130 0.00000001
|
||
43 0.00000007 4.34328772 16.84225755 -0.00000545 -7.83701925
|
||
44 -0.00000022 -16.84225755 4.34328772 0.00001743 0.44325573
|
||
45 1.63626681 0.00001282 0.00000065 12.47505824 -0.00000005
|
||
46 -0.00000001 0.32770428 1.27076084 -0.00000041 0.74682585
|
||
47 0.00000002 -1.27076084 0.32770428 0.00000131 -0.04223989
|
||
48 1.99713175 0.00000140 0.00000007 1.31813973 0.00000003
|
||
49 0.12589314 -0.00000014 -0.00000001 -0.13574474 0.00000000
|
||
50 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000
|
||
51 0.00000000 -0.09302697 -0.36073690 0.00000012 -0.01930933
|
||
52 0.12589314 -0.00000014 -0.00000001 -0.13574474 0.00000000
|
||
53 -0.00000000 0.36073690 -0.09302697 -0.00000038 0.00109212
|
||
54 -0.12338006 -0.00000018 -0.00000001 -0.16531903 0.00000000
|
||
55 1.84118861 0.00000041 0.00000002 0.42708223 0.00000003
|
||
56 0.00000000 0.00000000 0.00000001 0.00000000 -0.00000000
|
||
57 -0.00000001 -1.23981960 -4.80773146 0.00000155 0.06987650
|
||
58 1.84118861 0.00000040 0.00000002 0.42708223 0.00000002
|
||
59 0.00000004 4.80773146 -1.23981960 -0.00000496 -0.00395216
|
||
60 1.02356511 -0.00000580 -0.00000029 -5.53816665 0.00000003
|
||
61 -0.00000004 -1.16604052 -4.52163337 0.00000146 3.82926585
|
||
62 0.00000005 2.02213592 -0.52146917 -0.00000209 -0.09685766
|
||
63 -0.37542220 -0.00000206 -0.00000010 -2.01538591 0.00000001
|
||
64 -0.00000002 -0.52146917 -2.02213592 0.00000065 1.71249975
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
66 -0.00000002 -0.33345383 -1.29305625 0.00000042 1.68110866
|
||
67 0.00000012 4.52163337 -1.16604052 -0.00000468 -0.21658031
|
||
68 -0.37542220 -0.00000206 -0.00000010 -2.01538591 0.00000000
|
||
69 0.00000005 1.29305625 -0.33345383 -0.00000134 -0.09508220
|
||
70 -0.40623539 -0.00000370 -0.00000019 -3.63976146 0.00000001
|
||
31 32 33 34 35
|
||
1 0.00000002 -0.50181204 0.00000004 0.00000000 -1.19953402
|
||
2 -0.00000014 -1.12878221 -0.00000009 -0.00000001 -46.12280883
|
||
3 0.00000041 1.70436278 0.00000008 0.00000001 -23.06486500
|
||
4 -0.00000006 -0.12865635 -0.00000003 -0.00000000 -0.26291879
|
||
5 -0.14349850 -0.00000013 1.00063638 5.11863032 0.00000000
|
||
6 -2.53713697 0.00000043 -5.11863032 1.00063638 -0.00000000
|
||
7 0.00000002 -3.79957169 -0.00000028 -0.00000003 1.62052045
|
||
8 0.44325573 0.00000050 -3.51424222 -17.97666670 0.00000000
|
||
9 7.83701925 -0.00000161 17.97666670 -3.51424222 -0.00000001
|
||
10 -0.00000013 12.81916391 0.00000092 0.00000010 -31.94597579
|
||
11 -0.04223989 -0.00000003 0.27702192 1.41707099 -0.00000000
|
||
12 -0.74682585 0.00000008 -1.41707099 0.27702192 0.00000000
|
||
13 0.00000008 -0.93357058 -0.00000007 -0.00000001 -10.23709711
|
||
14 -0.00000000 -0.03197744 0.00000000 -0.00000000 0.32924106
|
||
15 0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
16 -0.00109212 0.00000000 -0.00785973 -0.04020548 0.00000000
|
||
17 -0.00000001 -0.03197744 -0.00000001 0.00000000 0.32924106
|
||
18 -0.01930933 -0.00000001 0.04020548 -0.00785973 -0.00000001
|
||
19 -0.00000000 -0.16781494 -0.00000001 -0.00000000 -1.41125122
|
||
20 -0.00000006 -0.68276587 -0.00000005 -0.00000000 -1.28775016
|
||
21 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
22 0.00395216 0.00000006 -0.27140181 -1.38832205 -0.00000001
|
||
23 -0.00000007 -0.68276587 -0.00000004 -0.00000001 -1.28775016
|
||
24 0.06987650 -0.00000019 1.38832205 -0.27140181 0.00000002
|
||
25 -0.00000007 0.77230632 0.00000005 0.00000001 -10.56671131
|
||
26 -0.21658031 -0.00000019 1.42534975 7.29119845 0.00000000
|
||
27 -1.71249975 0.00000027 -3.26072307 0.63743579 -0.00000000
|
||
28 0.00000001 -2.43651757 -0.00000017 -0.00000002 1.80215021
|
||
29 -0.09685766 -0.00000009 0.63743579 3.26072307 0.00000000
|
||
30 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
31 -0.09508220 -0.00000008 0.64108729 3.27940190 -0.00000001
|
||
32 -3.82926585 0.00000061 -7.29119845 1.42534975 -0.00000001
|
||
33 0.00000002 -2.43651757 -0.00000017 -0.00000002 1.80215021
|
||
34 -1.68110866 0.00000027 -3.27940190 0.64108729 0.00000002
|
||
35 0.00000002 -5.72867559 -0.00000042 -0.00000005 2.64056280
|
||
36 -0.00000002 -0.50181204 0.00000004 0.00000000 1.19953401
|
||
37 0.00000014 -1.12878221 -0.00000009 -0.00000001 46.12280883
|
||
38 -0.00000041 1.70436278 0.00000008 0.00000001 23.06486500
|
||
39 0.00000006 -0.12865635 -0.00000003 -0.00000000 0.26291879
|
||
40 -0.14349850 0.00000013 -1.00063638 -5.11863032 0.00000000
|
||
41 -2.53713697 -0.00000043 5.11863032 -1.00063638 -0.00000000
|
||
42 0.00000002 3.79957169 0.00000028 0.00000003 1.62052045
|
||
43 0.44325573 -0.00000050 3.51424222 17.97666670 0.00000000
|
||
44 7.83701925 0.00000161 -17.97666670 3.51424222 -0.00000001
|
||
45 -0.00000013 -12.81916391 -0.00000092 -0.00000010 -31.94597579
|
||
46 -0.04223989 0.00000003 -0.27702192 -1.41707099 -0.00000000
|
||
47 -0.74682585 -0.00000008 1.41707099 -0.27702192 0.00000000
|
||
48 0.00000008 0.93357058 0.00000007 0.00000001 -10.23709711
|
||
49 0.00000000 -0.03197744 0.00000000 -0.00000000 -0.32924106
|
||
50 -0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
51 0.00109212 0.00000000 -0.00785973 -0.04020548 -0.00000000
|
||
52 0.00000001 -0.03197744 -0.00000001 0.00000000 -0.32924106
|
||
53 0.01930933 -0.00000001 0.04020548 -0.00785973 0.00000001
|
||
54 0.00000000 -0.16781494 -0.00000001 -0.00000000 1.41125122
|
||
55 0.00000006 -0.68276587 -0.00000005 -0.00000000 1.28775016
|
||
56 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
57 -0.00395216 0.00000006 -0.27140181 -1.38832205 0.00000001
|
||
58 0.00000007 -0.68276587 -0.00000004 -0.00000001 1.28775016
|
||
59 -0.06987650 -0.00000019 1.38832205 -0.27140181 -0.00000002
|
||
60 0.00000007 0.77230632 0.00000005 0.00000001 10.56671131
|
||
61 -0.21658031 0.00000019 -1.42534975 -7.29119845 0.00000000
|
||
62 -1.71249975 -0.00000027 3.26072307 -0.63743579 -0.00000000
|
||
63 0.00000001 2.43651757 0.00000017 0.00000002 1.80215021
|
||
64 -0.09685766 0.00000009 -0.63743579 -3.26072307 0.00000000
|
||
65 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.09508220 0.00000008 -0.64108729 -3.27940190 -0.00000001
|
||
67 -3.82926585 -0.00000061 7.29119845 -1.42534975 -0.00000001
|
||
68 0.00000002 2.43651757 0.00000017 0.00000002 1.80215021
|
||
69 -1.68110866 -0.00000027 3.27940190 -0.64108729 0.00000002
|
||
70 0.00000002 5.72867559 0.00000042 0.00000005 2.64056280
|
||
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 -0.00000001 -0.00000003 0.00000000
|
||
6 0.00000000 0.00000000 -0.00000003 0.00000001 0.00000000
|
||
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
8 0.00000000 0.00000000 0.00000009 0.00000029 -0.00000000
|
||
9 0.00000000 0.00000000 0.00000029 -0.00000009 0.00000000
|
||
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
11 0.00000000 0.00000000 0.00000001 0.00000004 0.00000000
|
||
12 0.00000000 0.00000000 0.00000004 -0.00000001 0.00000000
|
||
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
14 0.00000000 -0.00000000 0.11633859 -0.00025966 0.00000001
|
||
15 0.00000001 0.00000000 -0.00029982 -0.13433623 -0.00000003
|
||
16 0.00000000 0.00000000 0.00000001 0.00000002 0.00000000
|
||
17 -0.00000000 0.00000000 -0.11633859 0.00025966 -0.00000001
|
||
18 0.00000000 0.00000000 0.00000002 -0.00000001 0.00000000
|
||
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
20 -0.00000001 0.00000002 -0.14488405 0.00032337 -0.00000000
|
||
21 -0.00000003 -0.00000001 0.00037339 0.16729769 0.00000002
|
||
22 0.00000000 0.00000000 0.00000004 0.00000011 -0.00000000
|
||
23 0.00000001 -0.00000002 0.14488405 -0.00032337 0.00000000
|
||
24 0.00000000 0.00000000 0.00000011 -0.00000004 0.00000000
|
||
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
26 -0.47078694 -0.02003996 -0.00000001 -0.00000010 0.63882081
|
||
27 0.02688642 -0.63162696 -0.00000007 -0.00000000 0.46327969
|
||
28 -0.00000000 0.00000001 0.51311040 -0.00114521 0.00000000
|
||
29 0.63162696 0.02688642 -0.00000002 0.00000001 -0.85706805
|
||
30 -0.00000001 -0.00000000 -0.00132237 -0.59248885 -0.00000002
|
||
31 0.00000000 0.00000000 0.00000001 0.00000002 0.00000000
|
||
32 -0.02003996 0.47078694 -0.00000004 0.00000003 -0.34530829
|
||
33 0.00000000 -0.00000001 -0.51311040 0.00114521 -0.00000000
|
||
34 0.00000000 0.00000000 0.00000002 -0.00000001 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 0.00000001 0.00000003 0.00000000
|
||
41 0.00000000 0.00000000 0.00000003 -0.00000001 0.00000000
|
||
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
43 0.00000000 0.00000000 -0.00000009 -0.00000029 0.00000000
|
||
44 0.00000000 0.00000000 -0.00000029 0.00000009 0.00000000
|
||
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
46 0.00000000 0.00000000 -0.00000001 -0.00000004 0.00000000
|
||
47 0.00000000 0.00000000 -0.00000004 0.00000001 0.00000000
|
||
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
49 -0.00000000 0.00000000 0.11633859 -0.00025966 0.00000001
|
||
50 -0.00000001 -0.00000000 -0.00029982 -0.13433623 -0.00000003
|
||
51 0.00000000 0.00000000 0.00000001 0.00000002 0.00000000
|
||
52 0.00000000 -0.00000000 -0.11633859 0.00025966 -0.00000001
|
||
53 0.00000000 0.00000000 0.00000002 -0.00000001 0.00000000
|
||
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
55 0.00000001 -0.00000002 -0.14488405 0.00032337 -0.00000000
|
||
56 0.00000003 0.00000001 0.00037339 0.16729769 0.00000002
|
||
57 0.00000000 0.00000000 0.00000004 0.00000011 -0.00000000
|
||
58 -0.00000001 0.00000002 0.14488405 -0.00032337 0.00000000
|
||
59 0.00000000 0.00000000 0.00000011 -0.00000004 0.00000000
|
||
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
61 -0.47078694 -0.02003996 0.00000001 0.00000010 -0.63882081
|
||
62 0.02688642 -0.63162696 0.00000007 0.00000000 -0.46327969
|
||
63 -0.00000000 0.00000001 -0.51311040 0.00114521 -0.00000000
|
||
64 0.63162696 0.02688642 0.00000002 -0.00000001 0.85706805
|
||
65 -0.00000001 -0.00000000 0.00132237 0.59248885 0.00000002
|
||
66 0.00000000 0.00000000 -0.00000001 -0.00000002 0.00000000
|
||
67 -0.02003996 0.47078694 0.00000004 -0.00000003 0.34530829
|
||
68 0.00000000 -0.00000001 0.51311040 -0.00114521 0.00000000
|
||
69 0.00000000 0.00000000 -0.00000002 0.00000001 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 -5.09101532 -4.08081360
|
||
2 0.00000000 0.00000000 0.00000000 7.20847905 29.95039704
|
||
3 0.00000000 0.00000000 0.00000000 3.93156674 19.53266984
|
||
4 0.00000000 0.00000000 0.00000000 1.26059708 0.47264963
|
||
5 0.00000000 0.00000001 -0.00000002 0.00000025 -0.00000000
|
||
6 0.00000000 0.00000002 0.00000001 -0.00000080 0.00000000
|
||
7 0.00000000 0.00000000 0.00000000 2.67038878 -1.97861410
|
||
8 0.00000000 0.00000001 -0.00000002 -0.00000193 0.00000003
|
||
9 -0.00000000 0.00000002 0.00000001 0.00000616 -0.00000010
|
||
10 0.00000000 0.00000000 0.00000000 -9.03405721 24.94974318
|
||
11 0.00000000 -0.00000000 0.00000001 -0.00000019 -0.00000000
|
||
12 0.00000000 -0.00000001 -0.00000000 0.00000062 0.00000001
|
||
13 0.00000000 0.00000000 0.00000000 -0.89256065 5.90568261
|
||
14 -0.00000003 0.10819174 0.00002394 -0.25182247 -0.49074584
|
||
15 -0.00000001 -0.00002765 0.12492906 0.00000000 0.00000000
|
||
16 0.00000000 0.00000001 -0.00000005 -0.00000012 0.00000001
|
||
17 0.00000003 -0.10819174 -0.00002394 -0.25182247 -0.49074584
|
||
18 0.00000000 0.00000005 0.00000001 0.00000038 -0.00000004
|
||
19 0.00000000 0.00000000 0.00000000 -0.60389036 1.47944675
|
||
20 0.00000002 -1.10653851 -0.00024489 -0.32109549 -0.54238668
|
||
21 0.00000000 0.00028277 -1.27772061 0.00000000 0.00000000
|
||
22 0.00000000 -0.00000002 0.00000006 -0.00000062 -0.00000001
|
||
23 -0.00000002 1.10653851 0.00024489 -0.32109549 -0.54238668
|
||
24 -0.00000000 -0.00000006 -0.00000002 0.00000199 0.00000004
|
||
25 0.00000000 0.00000000 0.00000000 -4.87012669 5.59745047
|
||
26 0.34530829 0.00000001 -0.00000003 0.00000053 -0.00000001
|
||
27 -0.85706805 0.00000001 0.00000001 -0.00000076 0.00000001
|
||
28 -0.00000001 -1.09536936 -0.00024241 1.82038709 -3.23498271
|
||
29 -0.46327969 0.00000000 -0.00000002 0.00000024 -0.00000000
|
||
30 -0.00000000 0.00027992 -1.26482359 0.00000000 0.00000000
|
||
31 0.00000000 -0.00000002 0.00000005 -0.00000008 -0.00000002
|
||
32 0.63882081 0.00000004 0.00000001 -0.00000170 0.00000003
|
||
33 0.00000001 1.09536936 0.00024241 1.82038709 -3.23498271
|
||
34 0.00000000 -0.00000005 -0.00000002 0.00000027 0.00000005
|
||
35 0.00000000 0.00000000 0.00000000 1.26479297 -3.60672136
|
||
36 0.00000000 0.00000000 0.00000000 -5.09101532 4.08081359
|
||
37 0.00000000 0.00000000 0.00000000 7.20847906 -29.95039704
|
||
38 0.00000000 0.00000000 0.00000000 3.93156675 -19.53266984
|
||
39 0.00000000 0.00000000 0.00000000 1.26059708 -0.47264963
|
||
40 0.00000000 0.00000001 -0.00000002 -0.00000025 -0.00000000
|
||
41 0.00000000 0.00000002 0.00000001 0.00000080 0.00000000
|
||
42 0.00000000 0.00000000 0.00000000 -2.67038878 -1.97861411
|
||
43 0.00000000 0.00000001 -0.00000002 0.00000193 0.00000003
|
||
44 0.00000000 0.00000002 0.00000001 -0.00000616 -0.00000010
|
||
45 0.00000000 0.00000000 0.00000000 9.03405720 24.94974318
|
||
46 0.00000000 -0.00000000 0.00000001 0.00000019 -0.00000000
|
||
47 0.00000000 -0.00000001 -0.00000000 -0.00000062 0.00000001
|
||
48 0.00000000 0.00000000 0.00000000 0.89256065 5.90568261
|
||
49 -0.00000003 -0.10819174 -0.00002394 -0.25182247 0.49074584
|
||
50 -0.00000001 0.00002765 -0.12492906 0.00000000 0.00000000
|
||
51 0.00000000 -0.00000001 0.00000005 -0.00000012 -0.00000001
|
||
52 0.00000003 0.10819174 0.00002394 -0.25182247 0.49074584
|
||
53 0.00000000 -0.00000005 -0.00000001 0.00000038 0.00000004
|
||
54 0.00000000 0.00000000 0.00000000 -0.60389036 -1.47944675
|
||
55 0.00000002 1.10653851 0.00024489 -0.32109549 0.54238668
|
||
56 0.00000000 -0.00028277 1.27772061 0.00000000 0.00000000
|
||
57 0.00000000 0.00000002 -0.00000006 -0.00000062 0.00000001
|
||
58 -0.00000002 -1.10653851 -0.00024489 -0.32109549 0.54238668
|
||
59 -0.00000000 0.00000006 0.00000002 0.00000199 -0.00000004
|
||
60 0.00000000 0.00000000 0.00000000 -4.87012669 -5.59745047
|
||
61 -0.34530829 0.00000001 -0.00000003 -0.00000053 -0.00000001
|
||
62 0.85706805 0.00000001 0.00000001 0.00000076 0.00000001
|
||
63 0.00000001 -1.09536936 -0.00024241 -1.82038709 -3.23498271
|
||
64 0.46327969 0.00000000 -0.00000002 -0.00000024 -0.00000000
|
||
65 0.00000000 0.00027992 -1.26482359 0.00000000 0.00000000
|
||
66 0.00000000 -0.00000002 0.00000005 0.00000008 -0.00000002
|
||
67 -0.63882081 0.00000004 0.00000001 0.00000170 0.00000003
|
||
68 -0.00000001 1.09536936 0.00024241 -1.82038709 -3.23498271
|
||
69 0.00000000 -0.00000005 -0.00000002 -0.00000027 0.00000005
|
||
70 0.00000000 0.00000000 0.00000000 -1.26479296 -3.60672136
|
||
46 47 48 49 50
|
||
1 -0.00000264 0.00000033 -0.00000007 -0.00000020 0.00000000
|
||
2 0.00000365 -0.00000046 0.00000021 0.00000059 0.00000000
|
||
3 0.00000204 -0.00000026 0.00000022 0.00000062 0.00000000
|
||
4 0.00000066 -0.00000008 0.00000001 0.00000002 0.00000000
|
||
5 -0.30364673 1.68439420 -0.32498659 0.01115439 -0.00000002
|
||
6 1.68439420 0.30364673 0.01115439 0.32498659 -0.00000006
|
||
7 0.00000135 -0.00000017 -0.00000002 -0.00000005 0.00000000
|
||
8 2.29024463 -12.70448325 -0.14455495 0.00496151 0.00000006
|
||
9 -12.70448325 -2.29024463 0.00496151 0.14455495 0.00000018
|
||
10 -0.00000460 0.00000057 0.00000019 0.00000055 0.00000000
|
||
11 0.22600352 -1.25369051 0.09277075 -0.00318414 -0.00000001
|
||
12 -1.25369051 -0.22600352 -0.00318414 -0.09277075 -0.00000001
|
||
13 -0.00000043 0.00000005 0.00000005 0.00000014 0.00000000
|
||
14 -0.00000012 0.00000002 -0.00000000 -0.00000003 -0.71322518
|
||
15 0.00000000 -0.00000000 -0.00000001 -0.00000000 0.03561383
|
||
16 0.13577497 -0.75317318 -0.70232408 0.02410561 -0.00000000
|
||
17 -0.00000013 0.00000001 -0.00000001 -0.00000001 0.71322518
|
||
18 -0.75317318 -0.13577497 0.02410561 0.70232408 -0.00000000
|
||
19 -0.00000031 0.00000004 0.00000001 0.00000004 0.00000000
|
||
20 -0.00000018 0.00000002 -0.00000004 0.00000002 0.27682158
|
||
21 -0.00000000 0.00000000 0.00000008 0.00000002 -0.01382267
|
||
22 0.73128426 -4.05659226 0.93213028 -0.03199316 0.00000000
|
||
23 -0.00000017 0.00000002 0.00000000 -0.00000013 -0.27682158
|
||
24 -4.05659226 -0.73128426 -0.03199316 -0.93213028 0.00000001
|
||
25 -0.00000245 0.00000031 0.00000003 0.00000008 0.00000000
|
||
26 -0.63667710 3.53178584 -0.60597545 0.02079867 -0.00000004
|
||
27 1.57946264 0.28473065 0.00930145 0.27100046 -0.00000001
|
||
28 0.00000094 -0.00000011 -0.00000006 -0.00000004 0.26905339
|
||
29 -0.28473065 1.57946264 -0.27100046 0.00930145 -0.00000001
|
||
30 0.00000001 -0.00000001 0.00000008 0.00000002 -0.01343478
|
||
31 0.09312151 -0.51656517 0.94969898 -0.03259616 -0.00000002
|
||
32 3.53178584 0.63667710 0.02079867 0.60597545 -0.00000010
|
||
33 0.00000092 -0.00000012 -0.00000002 -0.00000017 -0.26905339
|
||
34 -0.51656517 -0.09312151 -0.03259616 -0.94969898 -0.00000004
|
||
35 0.00000067 -0.00000008 -0.00000004 -0.00000010 0.00000000
|
||
36 -0.00000264 0.00000033 0.00000007 0.00000020 0.00000000
|
||
37 0.00000365 -0.00000045 -0.00000021 -0.00000059 0.00000000
|
||
38 0.00000204 -0.00000025 -0.00000022 -0.00000062 0.00000000
|
||
39 0.00000066 -0.00000008 -0.00000001 -0.00000002 0.00000000
|
||
40 0.30364673 -1.68439420 -0.32498659 0.01115439 0.00000002
|
||
41 -1.68439420 -0.30364673 0.01115439 0.32498659 0.00000006
|
||
42 -0.00000135 0.00000017 -0.00000002 -0.00000005 0.00000000
|
||
43 -2.29024463 12.70448325 -0.14455495 0.00496151 -0.00000006
|
||
44 12.70448325 2.29024463 0.00496151 0.14455495 -0.00000018
|
||
45 0.00000460 -0.00000058 0.00000019 0.00000055 0.00000000
|
||
46 -0.22600352 1.25369051 0.09277075 -0.00318414 0.00000001
|
||
47 1.25369051 0.22600352 -0.00318414 -0.09277075 0.00000001
|
||
48 0.00000043 -0.00000005 0.00000005 0.00000014 0.00000000
|
||
49 -0.00000012 0.00000002 0.00000000 0.00000003 -0.71322518
|
||
50 0.00000000 -0.00000000 0.00000001 0.00000000 0.03561383
|
||
51 0.13577497 -0.75317318 0.70232408 -0.02410561 -0.00000000
|
||
52 -0.00000013 0.00000001 0.00000001 0.00000001 0.71322518
|
||
53 -0.75317318 -0.13577497 -0.02410561 -0.70232408 -0.00000000
|
||
54 -0.00000031 0.00000004 -0.00000001 -0.00000004 0.00000000
|
||
55 -0.00000018 0.00000002 0.00000004 -0.00000002 0.27682158
|
||
56 -0.00000000 0.00000000 -0.00000008 -0.00000002 -0.01382267
|
||
57 0.73128426 -4.05659226 -0.93213028 0.03199316 0.00000000
|
||
58 -0.00000017 0.00000002 -0.00000000 0.00000013 -0.27682158
|
||
59 -4.05659226 -0.73128426 0.03199316 0.93213028 0.00000001
|
||
60 -0.00000245 0.00000031 -0.00000003 -0.00000008 0.00000000
|
||
61 0.63667710 -3.53178584 -0.60597545 0.02079867 0.00000004
|
||
62 -1.57946264 -0.28473065 0.00930145 0.27100046 0.00000001
|
||
63 -0.00000094 0.00000011 -0.00000006 -0.00000004 -0.26905339
|
||
64 0.28473065 -1.57946264 -0.27100046 0.00930145 0.00000001
|
||
65 -0.00000001 0.00000001 0.00000008 0.00000002 0.01343478
|
||
66 -0.09312151 0.51656517 0.94969898 -0.03259616 0.00000002
|
||
67 -3.53178584 -0.63667710 0.02079867 0.60597545 0.00000010
|
||
68 -0.00000092 0.00000012 -0.00000002 -0.00000017 0.26905339
|
||
69 0.51656517 0.09312151 -0.03259616 -0.94969898 0.00000004
|
||
70 -0.00000067 0.00000008 -0.00000004 -0.00000010 0.00000000
|
||
51 52 53 54 55
|
||
1 0.00000000 -0.00000003 -0.00000004 5.93460592 3.53993378
|
||
2 0.00000000 0.00000008 0.00000013 -1.13334485 0.84438864
|
||
3 0.00000000 0.00000013 0.00000022 -3.95631216 -2.86914329
|
||
4 0.00000000 -0.00000000 -0.00000000 -1.63765764 -0.87299937
|
||
5 0.00000006 1.41090880 -0.33963615 -0.00000002 0.00000004
|
||
6 -0.00000002 -0.33963615 -1.41090880 0.00000008 -0.00000013
|
||
7 0.00000000 -0.00000000 -0.00000000 -0.53153023 2.32062354
|
||
8 -0.00000018 -5.06778512 1.21992509 0.00000012 -0.00000022
|
||
9 0.00000006 1.21992509 5.06778512 -0.00000039 0.00000069
|
||
10 0.00000000 0.00000006 0.00000010 2.67638552 -10.93732622
|
||
11 0.00000001 0.34024398 -0.08190406 0.00000000 0.00000001
|
||
12 -0.00000001 -0.08190406 -0.34024398 -0.00000001 -0.00000003
|
||
13 0.00000000 0.00000003 0.00000006 -0.81564698 0.08069997
|
||
14 -0.03084248 -0.00000000 -0.00000000 -0.45205203 -0.25407524
|
||
15 -0.82356150 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.00000000 -0.26780166 0.06446563 0.00000000 0.00000001
|
||
17 0.03084248 -0.00000000 -0.00000001 -0.45205203 -0.25407524
|
||
18 -0.00000000 0.06446563 0.26780166 -0.00000000 -0.00000002
|
||
19 0.00000000 -0.00000000 -0.00000000 0.40568505 0.42573612
|
||
20 0.01197078 -0.00000002 -0.00000002 0.67155522 0.72734005
|
||
21 0.31964603 0.00000001 0.00000000 0.00000000 0.00000000
|
||
22 -0.00000001 -0.23845217 0.05740058 0.00000002 -0.00000002
|
||
23 -0.01197078 -0.00000001 -0.00000003 0.67155522 0.72734005
|
||
24 0.00000000 0.05740058 0.23845217 -0.00000007 0.00000007
|
||
25 0.00000000 0.00000001 0.00000002 -0.15363867 -1.43416329
|
||
26 0.00000006 3.22208546 -0.77562541 -0.00000005 0.00000010
|
||
27 -0.00000002 -0.34687023 -1.44096042 0.00000006 -0.00000014
|
||
28 0.01163486 -0.00000002 -0.00000002 -0.58715055 2.47697650
|
||
29 0.00000006 1.44096042 -0.34687023 -0.00000002 0.00000004
|
||
30 0.31067609 0.00000001 0.00000000 0.00000000 0.00000000
|
||
31 0.00000004 0.41675370 -0.10032160 -0.00000001 0.00000004
|
||
32 -0.00000002 -0.77562541 -3.22208546 0.00000014 -0.00000032
|
||
33 -0.01163486 -0.00000002 -0.00000004 -0.58715055 2.47697650
|
||
34 -0.00000002 -0.10032160 -0.41675370 0.00000003 -0.00000012
|
||
35 0.00000000 -0.00000000 -0.00000000 -1.58696695 4.68353260
|
||
36 0.00000000 0.00000003 0.00000004 5.93460592 3.53993378
|
||
37 0.00000000 -0.00000008 -0.00000013 -1.13334485 0.84438864
|
||
38 0.00000000 -0.00000013 -0.00000022 -3.95631216 -2.86914329
|
||
39 0.00000000 0.00000000 0.00000000 -1.63765764 -0.87299937
|
||
40 -0.00000006 1.41090880 -0.33963615 0.00000002 -0.00000004
|
||
41 0.00000002 -0.33963615 -1.41090880 -0.00000008 0.00000013
|
||
42 0.00000000 -0.00000000 -0.00000000 0.53153023 -2.32062354
|
||
43 0.00000018 -5.06778512 1.21992509 -0.00000012 0.00000022
|
||
44 -0.00000006 1.21992509 5.06778512 0.00000039 -0.00000069
|
||
45 0.00000000 0.00000006 0.00000010 -2.67638552 10.93732623
|
||
46 -0.00000001 0.34024398 -0.08190406 -0.00000000 -0.00000001
|
||
47 0.00000001 -0.08190406 -0.34024398 0.00000001 0.00000003
|
||
48 0.00000000 0.00000003 0.00000006 0.81564698 -0.08069997
|
||
49 -0.03084248 0.00000000 0.00000000 -0.45205203 -0.25407524
|
||
50 -0.82356150 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
51 0.00000000 0.26780166 -0.06446563 0.00000000 0.00000001
|
||
52 0.03084248 0.00000000 0.00000001 -0.45205203 -0.25407524
|
||
53 -0.00000000 -0.06446563 -0.26780166 -0.00000000 -0.00000002
|
||
54 0.00000000 0.00000000 0.00000000 0.40568505 0.42573612
|
||
55 0.01197078 0.00000002 0.00000002 0.67155522 0.72734005
|
||
56 0.31964603 -0.00000001 -0.00000000 0.00000000 0.00000000
|
||
57 -0.00000001 0.23845217 -0.05740058 0.00000002 -0.00000002
|
||
58 -0.01197078 0.00000001 0.00000003 0.67155522 0.72734005
|
||
59 0.00000000 -0.05740058 -0.23845217 -0.00000007 0.00000007
|
||
60 0.00000000 -0.00000001 -0.00000002 -0.15363867 -1.43416329
|
||
61 -0.00000006 3.22208546 -0.77562541 0.00000005 -0.00000010
|
||
62 0.00000002 -0.34687023 -1.44096042 -0.00000006 0.00000014
|
||
63 -0.01163486 -0.00000002 -0.00000002 0.58715055 -2.47697650
|
||
64 -0.00000006 1.44096042 -0.34687023 0.00000002 -0.00000004
|
||
65 -0.31067609 0.00000001 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000004 0.41675370 -0.10032160 0.00000001 -0.00000004
|
||
67 0.00000002 -0.77562541 -3.22208546 -0.00000014 0.00000032
|
||
68 0.01163486 -0.00000002 -0.00000004 0.58715055 -2.47697650
|
||
69 0.00000002 -0.10032160 -0.41675370 -0.00000003 0.00000012
|
||
70 0.00000000 -0.00000000 -0.00000000 1.58696695 -4.68353260
|
||
56 57 58 59 60
|
||
1 2.53331667 0.00000010 0.00000002 0.00000002 -0.00000003
|
||
2 -51.07446552 0.00000009 0.00000001 -0.00000001 0.00000002
|
||
3 -12.79768655 -0.00000009 -0.00000001 0.00000007 -0.00000011
|
||
4 -1.17390903 -0.00000002 -0.00000000 -0.00000000 0.00000000
|
||
5 -0.00000001 -0.37107412 -2.51538488 -0.16228353 -0.04335241
|
||
6 0.00000002 2.51538488 -0.37107412 0.04335241 -0.16228353
|
||
7 4.74110670 0.00000014 0.00000002 0.00000003 -0.00000005
|
||
8 0.00000001 1.77847154 12.05565187 -3.29699580 -0.88075917
|
||
9 -0.00000004 -12.05565187 1.77847154 0.88075917 -3.29699580
|
||
10 -46.24104131 -0.00000067 -0.00000010 -0.00000015 0.00000023
|
||
11 -0.00000000 -0.10360060 -0.70227313 0.23611954 0.06307695
|
||
12 0.00000000 0.70227313 -0.10360060 -0.06307695 0.23611954
|
||
13 -5.62689412 0.00000002 0.00000000 0.00000003 -0.00000006
|
||
14 0.28000046 -0.00000002 -0.00000000 0.00000000 0.00000009
|
||
15 0.00000000 -0.00000000 -0.00000000 -0.00000010 0.00000000
|
||
16 0.00000000 -0.04750237 -0.32200234 0.19379459 0.05177027
|
||
17 0.28000046 -0.00000001 -0.00000000 -0.00000000 -0.00000009
|
||
18 -0.00000001 0.32200234 -0.04750237 -0.05177027 0.19379459
|
||
19 -3.32273082 0.00000001 0.00000000 0.00000000 -0.00000000
|
||
20 -2.35725199 0.00000003 0.00000000 -0.00000001 0.00000004
|
||
21 0.00000000 0.00000000 0.00000000 -0.00000003 0.00000000
|
||
22 -0.00000000 0.12021947 0.81492679 0.21906943 0.05852219
|
||
23 -2.35725199 0.00000003 0.00000001 -0.00000001 -0.00000001
|
||
24 0.00000000 -0.81492679 0.12021947 -0.05852219 0.21906943
|
||
25 -10.87500173 -0.00000008 -0.00000001 -0.00000000 0.00000000
|
||
26 -0.00000001 -0.84735407 -5.74392418 1.57547586 0.42087248
|
||
27 0.00000001 2.56876098 -0.37894826 -0.18821990 0.70457423
|
||
28 3.78878437 0.00000015 0.00000002 0.00000004 0.00000004
|
||
29 -0.00000000 -0.37894826 -2.56876098 0.70457423 0.18821990
|
||
30 0.00000000 -0.00000000 -0.00000000 -0.00000010 0.00000000
|
||
31 0.00000000 -0.35339744 -2.39556069 1.61043458 0.43021135
|
||
32 0.00000002 5.74392418 -0.84735407 -0.42087248 1.57547586
|
||
33 3.78878437 0.00000015 0.00000002 0.00000003 -0.00000014
|
||
34 -0.00000000 2.39556069 -0.35339744 -0.43021135 1.61043458
|
||
35 8.48530396 0.00000029 0.00000005 0.00000008 -0.00000012
|
||
36 -2.53331667 0.00000010 0.00000002 -0.00000002 0.00000003
|
||
37 51.07446552 0.00000009 0.00000001 0.00000001 -0.00000002
|
||
38 12.79768655 -0.00000009 -0.00000001 -0.00000007 0.00000011
|
||
39 1.17390903 -0.00000002 -0.00000000 0.00000000 -0.00000000
|
||
40 -0.00000001 0.37107412 2.51538488 -0.16228353 -0.04335241
|
||
41 0.00000002 -2.51538488 0.37107412 0.04335241 -0.16228353
|
||
42 4.74110670 -0.00000014 -0.00000002 0.00000003 -0.00000005
|
||
43 0.00000001 -1.77847154 -12.05565187 -3.29699580 -0.88075917
|
||
44 -0.00000004 12.05565187 -1.77847154 0.88075917 -3.29699580
|
||
45 -46.24104131 0.00000067 0.00000011 -0.00000015 0.00000023
|
||
46 -0.00000000 0.10360060 0.70227313 0.23611954 0.06307695
|
||
47 0.00000000 -0.70227313 0.10360060 -0.06307695 0.23611954
|
||
48 -5.62689412 -0.00000002 -0.00000000 0.00000003 -0.00000006
|
||
49 -0.28000046 -0.00000002 -0.00000000 -0.00000000 -0.00000009
|
||
50 0.00000000 -0.00000000 -0.00000000 0.00000010 -0.00000000
|
||
51 -0.00000000 -0.04750237 -0.32200234 -0.19379459 -0.05177027
|
||
52 -0.28000046 -0.00000001 -0.00000000 0.00000000 0.00000009
|
||
53 0.00000001 0.32200234 -0.04750237 0.05177027 -0.19379459
|
||
54 3.32273082 0.00000001 0.00000000 -0.00000000 0.00000000
|
||
55 2.35725199 0.00000003 0.00000000 0.00000001 -0.00000004
|
||
56 0.00000000 0.00000000 0.00000000 0.00000003 -0.00000000
|
||
57 0.00000000 0.12021947 0.81492679 -0.21906943 -0.05852219
|
||
58 2.35725199 0.00000003 0.00000000 0.00000001 0.00000001
|
||
59 -0.00000000 -0.81492679 0.12021947 0.05852219 -0.21906943
|
||
60 10.87500173 -0.00000008 -0.00000001 0.00000000 -0.00000000
|
||
61 -0.00000001 0.84735407 5.74392418 1.57547586 0.42087248
|
||
62 0.00000001 -2.56876098 0.37894826 -0.18821990 0.70457423
|
||
63 3.78878437 -0.00000015 -0.00000002 0.00000004 0.00000004
|
||
64 -0.00000000 0.37894826 2.56876098 0.70457423 0.18821990
|
||
65 0.00000000 0.00000000 0.00000000 -0.00000010 0.00000000
|
||
66 0.00000000 0.35339744 2.39556069 1.61043458 0.43021135
|
||
67 0.00000002 -5.74392418 0.84735407 -0.42087248 1.57547586
|
||
68 3.78878437 -0.00000015 -0.00000002 0.00000003 -0.00000014
|
||
69 -0.00000000 -2.39556069 0.35339744 -0.43021135 1.61043458
|
||
70 8.48530396 -0.00000029 -0.00000005 0.00000008 -0.00000012
|
||
61 62 63 64 65
|
||
1 0.00000000 0.00000000 -3.80847706 4.55810205 -0.87589909
|
||
2 0.00000000 0.00000000 -15.32469086 -7.67863124 83.70717803
|
||
3 0.00000000 0.00000000 -6.53356898 -3.94023582 17.86263220
|
||
4 0.00000000 0.00000000 0.69048366 -1.10221309 0.65095595
|
||
5 0.00000001 0.00000003 -0.00000000 0.00000001 -0.00000000
|
||
6 0.00000003 -0.00000001 0.00000000 -0.00000004 0.00000000
|
||
7 0.00000000 0.00000000 -0.47716565 -0.77561491 -9.95609042
|
||
8 0.00000008 0.00000025 -0.00000002 0.00000005 -0.00000001
|
||
9 0.00000025 -0.00000008 0.00000007 -0.00000015 0.00000002
|
||
10 0.00000000 0.00000000 -5.29376346 1.66767850 84.67682678
|
||
11 -0.00000001 -0.00000002 0.00000000 0.00000001 0.00000000
|
||
12 -0.00000002 0.00000001 -0.00000001 -0.00000003 -0.00000000
|
||
13 0.00000000 0.00000000 -3.79885232 0.45089668 8.11153281
|
||
14 1.03648328 0.00409536 0.72022202 1.17022827 -2.18038291
|
||
15 0.00472892 -1.19682780 0.00000000 0.00000000 0.00000000
|
||
16 -0.00000001 -0.00000002 0.00000000 0.00000003 0.00000000
|
||
17 -1.03648328 -0.00409536 0.72022202 1.17022827 -2.18038291
|
||
18 -0.00000002 0.00000001 -0.00000000 -0.00000008 -0.00000000
|
||
19 0.00000000 0.00000000 -0.62583652 2.53699642 3.82162126
|
||
20 0.27866673 0.00110107 -0.01501910 1.02773027 3.40412739
|
||
21 0.00127141 -0.32177662 0.00000000 0.00000000 0.00000000
|
||
22 -0.00000001 -0.00000002 0.00000000 0.00000002 0.00000000
|
||
23 -0.27866673 -0.00110107 -0.01501910 1.02773027 3.40412739
|
||
24 -0.00000002 0.00000001 -0.00000000 -0.00000007 -0.00000000
|
||
25 0.00000000 0.00000000 -3.14226758 2.81067938 17.54561602
|
||
26 -0.00000003 -0.00000011 0.00000001 -0.00000001 0.00000000
|
||
27 -0.00000005 0.00000002 -0.00000001 0.00000001 -0.00000001
|
||
28 0.97300616 0.00384455 -0.38266452 -0.28385475 -9.87194757
|
||
29 -0.00000002 -0.00000005 0.00000000 -0.00000000 0.00000000
|
||
30 0.00443931 -1.12353073 0.00000000 0.00000000 0.00000000
|
||
31 -0.00000004 -0.00000014 0.00000001 0.00000002 0.00000000
|
||
32 -0.00000011 0.00000004 -0.00000003 0.00000002 -0.00000001
|
||
33 -0.97300616 -0.00384455 -0.38266452 -0.28385475 -9.87194757
|
||
34 -0.00000014 0.00000004 -0.00000003 -0.00000005 -0.00000001
|
||
35 0.00000000 0.00000000 -2.50796366 1.09087266 -18.73873775
|
||
36 0.00000000 0.00000000 3.80847706 4.55810205 0.87589909
|
||
37 0.00000000 0.00000000 15.32469086 -7.67863124 -83.70717803
|
||
38 0.00000000 0.00000000 6.53356898 -3.94023582 -17.86263220
|
||
39 0.00000000 0.00000000 -0.69048366 -1.10221309 -0.65095595
|
||
40 0.00000001 0.00000003 -0.00000000 -0.00000001 -0.00000000
|
||
41 0.00000003 -0.00000001 0.00000000 0.00000004 0.00000000
|
||
42 0.00000000 0.00000000 -0.47716565 0.77561491 -9.95609042
|
||
43 0.00000008 0.00000025 -0.00000002 -0.00000005 -0.00000001
|
||
44 0.00000025 -0.00000008 0.00000007 0.00000015 0.00000002
|
||
45 0.00000000 0.00000000 -5.29376346 -1.66767850 84.67682678
|
||
46 -0.00000001 -0.00000002 0.00000000 -0.00000001 0.00000000
|
||
47 -0.00000002 0.00000001 -0.00000001 0.00000003 -0.00000000
|
||
48 0.00000000 0.00000000 -3.79885232 -0.45089668 8.11153281
|
||
49 -1.03648328 -0.00409536 -0.72022202 1.17022827 2.18038291
|
||
50 -0.00472892 1.19682780 0.00000000 0.00000000 0.00000000
|
||
51 0.00000001 0.00000002 -0.00000000 0.00000003 -0.00000000
|
||
52 1.03648328 0.00409536 -0.72022202 1.17022827 2.18038291
|
||
53 0.00000002 -0.00000001 0.00000000 -0.00000008 0.00000000
|
||
54 0.00000000 0.00000000 0.62583652 2.53699642 -3.82162126
|
||
55 -0.27866673 -0.00110107 0.01501910 1.02773027 -3.40412739
|
||
56 -0.00127141 0.32177662 0.00000000 0.00000000 0.00000000
|
||
57 0.00000001 0.00000002 -0.00000000 0.00000002 -0.00000000
|
||
58 0.27866673 0.00110107 0.01501910 1.02773027 -3.40412739
|
||
59 0.00000002 -0.00000001 0.00000000 -0.00000007 0.00000000
|
||
60 0.00000000 0.00000000 3.14226758 2.81067938 -17.54561602
|
||
61 -0.00000003 -0.00000011 0.00000001 0.00000001 0.00000000
|
||
62 -0.00000005 0.00000002 -0.00000001 -0.00000001 -0.00000001
|
||
63 0.97300616 0.00384455 -0.38266452 0.28385475 -9.87194757
|
||
64 -0.00000002 -0.00000005 0.00000000 0.00000000 0.00000000
|
||
65 0.00443931 -1.12353073 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000004 -0.00000014 0.00000001 -0.00000002 0.00000000
|
||
67 -0.00000011 0.00000004 -0.00000003 -0.00000002 -0.00000001
|
||
68 -0.97300616 -0.00384455 -0.38266452 0.28385475 -9.87194757
|
||
69 -0.00000014 0.00000004 -0.00000003 0.00000005 -0.00000001
|
||
70 0.00000000 0.00000000 -2.50796366 -1.09087266 -18.73873775
|
||
66 67 68 69 70
|
||
1 0.00000015 0.00000004 -9.21799205 60.69965792 65.73683669
|
||
2 -0.00000025 -0.00000007 -61.56102143 -26.19917821 -29.92585266
|
||
3 -0.00000013 -0.00000003 5.50414218 -33.45223602 -40.02148587
|
||
4 -0.00000004 -0.00000001 0.91965982 -17.56883091 -18.05567075
|
||
5 -0.06312960 -1.59370010 -0.00000000 -0.00000000 0.00000000
|
||
6 1.59370010 -0.06312960 0.00000000 0.00000000 0.00000000
|
||
7 -0.00000003 -0.00000001 19.70500935 0.09039540 2.27425989
|
||
8 -0.12357930 -3.11974671 0.00000000 0.00000001 -0.00000000
|
||
9 3.11974671 -0.12357930 -0.00000000 -0.00000002 0.00000000
|
||
10 0.00000006 0.00000002 -93.69392287 0.26871199 -1.52554445
|
||
11 -0.03651096 -0.92171538 -0.00000000 -0.00000000 0.00000000
|
||
12 0.92171538 -0.03651096 0.00000000 0.00000000 -0.00000000
|
||
13 0.00000001 0.00000000 -3.35752077 -0.79220629 -0.71406480
|
||
14 0.00000004 0.00000001 -0.38645149 3.60537283 3.34149942
|
||
15 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.10663690 -2.69203755 0.00000000 -0.00000000 0.00000000
|
||
17 0.00000004 0.00000001 -0.38645149 3.60537283 3.34149942
|
||
18 2.69203755 -0.10663690 0.00000000 0.00000000 0.00000000
|
||
19 0.00000008 0.00000002 -1.19523609 2.52587365 5.17967924
|
||
20 0.00000003 0.00000001 -7.69901061 2.77766852 2.95891655
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 -0.08237282 -2.07949321 0.00000000 0.00000000 0.00000000
|
||
23 0.00000003 0.00000001 -7.69901061 2.77766852 2.95891655
|
||
24 2.07949321 -0.08237282 0.00000000 -0.00000000 0.00000000
|
||
25 0.00000009 0.00000003 -19.65076052 1.31758072 2.62243179
|
||
26 -0.00186083 -0.04697643 -0.00000000 -0.00000000 0.00000000
|
||
27 0.02100850 -0.00083219 0.00000000 0.00000000 0.00000000
|
||
28 -0.00000001 -0.00000000 13.06912675 -0.01108115 -0.15763379
|
||
29 -0.00083219 -0.02100850 -0.00000000 -0.00000000 0.00000000
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.07662704 -1.93444176 -0.00000000 -0.00000000 0.00000000
|
||
32 0.04697643 -0.00186083 0.00000000 0.00000001 0.00000000
|
||
33 -0.00000001 -0.00000000 13.06912675 -0.01108115 -0.15763379
|
||
34 1.93444176 -0.07662704 0.00000000 0.00000000 -0.00000000
|
||
35 0.00000004 0.00000001 27.36888041 -1.61020408 0.94313494
|
||
36 0.00000015 0.00000004 9.21799205 60.69965792 -65.73683669
|
||
37 -0.00000025 -0.00000007 61.56102143 -26.19917821 29.92585266
|
||
38 -0.00000013 -0.00000003 -5.50414218 -33.45223602 40.02148587
|
||
39 -0.00000004 -0.00000001 -0.91965982 -17.56883091 18.05567075
|
||
40 0.06312960 1.59370010 -0.00000000 0.00000000 0.00000000
|
||
41 -1.59370010 0.06312960 0.00000000 -0.00000000 0.00000000
|
||
42 0.00000003 0.00000001 19.70500935 -0.09039540 2.27425989
|
||
43 0.12357930 3.11974671 0.00000000 -0.00000001 -0.00000000
|
||
44 -3.11974671 0.12357930 -0.00000000 0.00000002 0.00000000
|
||
45 -0.00000006 -0.00000002 -93.69392287 -0.26871199 -1.52554445
|
||
46 0.03651096 0.92171538 -0.00000000 0.00000000 0.00000000
|
||
47 -0.92171538 0.03651096 0.00000000 -0.00000000 -0.00000000
|
||
48 -0.00000001 -0.00000000 -3.35752077 0.79220629 -0.71406480
|
||
49 0.00000004 0.00000001 0.38645149 3.60537283 -3.34149942
|
||
50 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.10663690 -2.69203755 0.00000000 -0.00000000 0.00000000
|
||
52 0.00000004 0.00000001 0.38645149 3.60537283 -3.34149942
|
||
53 2.69203755 -0.10663690 0.00000000 0.00000000 0.00000000
|
||
54 0.00000008 0.00000002 1.19523609 2.52587365 -5.17967924
|
||
55 0.00000003 0.00000001 7.69901061 2.77766852 -2.95891655
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 -0.08237282 -2.07949321 0.00000000 0.00000000 0.00000000
|
||
58 0.00000003 0.00000001 7.69901061 2.77766852 -2.95891655
|
||
59 2.07949321 -0.08237282 -0.00000000 -0.00000000 0.00000000
|
||
60 0.00000009 0.00000003 19.65076052 1.31758072 -2.62243179
|
||
61 0.00186083 0.04697643 -0.00000000 0.00000000 0.00000000
|
||
62 -0.02100850 0.00083219 0.00000000 -0.00000000 0.00000000
|
||
63 0.00000001 0.00000000 13.06912675 0.01108115 -0.15763379
|
||
64 0.00083219 0.02100850 -0.00000000 0.00000000 0.00000000
|
||
65 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.07662704 1.93444176 -0.00000000 0.00000000 0.00000000
|
||
67 -0.04697643 0.00186083 0.00000000 -0.00000001 0.00000000
|
||
68 0.00000001 0.00000000 13.06912675 0.01108115 -0.15763379
|
||
69 -1.93444176 0.07662704 0.00000000 -0.00000000 -0.00000000
|
||
70 -0.00000004 -0.00000001 27.36888041 1.61020408 0.94313494
|
||
|
||
---------------------------------------
|
||
UHF spin-up orbital energies
|
||
---------------------------------------
|
||
1
|
||
1 -1.02189995
|
||
2 -0.17698166
|
||
3 0.12569954
|
||
4 0.35026446
|
||
5 0.35026446
|
||
6 0.37320192
|
||
7 0.66242667
|
||
8 0.69038489
|
||
9 0.69038489
|
||
10 0.88348611
|
||
11 1.01409646
|
||
12 1.26393042
|
||
13 1.51741205
|
||
14 1.51741205
|
||
15 1.79261964
|
||
16 1.79261964
|
||
17 1.97885473
|
||
18 2.09035827
|
||
19 2.09035827
|
||
20 2.43707216
|
||
21 2.43707216
|
||
22 2.46971593
|
||
23 2.46971593
|
||
24 2.61894169
|
||
25 2.66648765
|
||
26 3.06684096
|
||
27 3.37679667
|
||
28 3.37679667
|
||
29 3.38692983
|
||
30 3.97232008
|
||
31 3.97232008
|
||
32 4.53291658
|
||
33 5.06548006
|
||
34 5.06548006
|
||
35 5.15841271
|
||
36 5.47568656
|
||
37 5.47568656
|
||
38 6.36162535
|
||
39 6.36162535
|
||
40 6.75127202
|
||
41 6.75127202
|
||
42 7.04007983
|
||
43 7.04007983
|
||
44 7.11597787
|
||
45 7.13799062
|
||
46 7.16492427
|
||
47 7.16492427
|
||
48 7.45070803
|
||
49 7.45070803
|
||
50 7.66026355
|
||
51 7.66026355
|
||
52 8.54637646
|
||
53 8.54637646
|
||
54 8.55852643
|
||
55 9.23913791
|
||
56 9.41517039
|
||
57 9.73941049
|
||
58 9.73941049
|
||
59 9.77742225
|
||
60 9.77742225
|
||
61 10.03413845
|
||
62 10.03413845
|
||
63 10.41330287
|
||
64 13.21135208
|
||
65 13.43937479
|
||
66 13.99105093
|
||
67 13.99105093
|
||
68 17.30219662
|
||
69 26.80574236
|
||
70 30.31434944
|
||
|
||
---------------------------------------
|
||
UHF spin-down orbital energies
|
||
---------------------------------------
|
||
1
|
||
1 -0.19397621
|
||
2 0.16805798
|
||
3 0.20141892
|
||
4 0.41762073
|
||
5 0.41762073
|
||
6 0.52869357
|
||
7 0.74860267
|
||
8 0.74860267
|
||
9 0.76109788
|
||
10 0.95720299
|
||
11 1.04522580
|
||
12 1.38352951
|
||
13 1.60028594
|
||
14 1.60028594
|
||
15 1.83479308
|
||
16 1.83479308
|
||
17 2.06370388
|
||
18 2.14482758
|
||
19 2.14482758
|
||
20 2.46966354
|
||
21 2.46966354
|
||
22 2.51674586
|
||
23 2.51674586
|
||
24 2.66185564
|
||
25 2.74005657
|
||
26 3.15112053
|
||
27 3.41147248
|
||
28 3.41147248
|
||
29 3.42740426
|
||
30 4.03413638
|
||
31 4.03413638
|
||
32 4.59688161
|
||
33 5.10693607
|
||
34 5.10693607
|
||
35 5.20577198
|
||
36 5.50919410
|
||
37 5.50919410
|
||
38 6.40646513
|
||
39 6.40646513
|
||
40 6.77785031
|
||
41 6.77785031
|
||
42 7.07122646
|
||
43 7.07122646
|
||
44 7.16257281
|
||
45 7.18185167
|
||
46 7.19608206
|
||
47 7.19608206
|
||
48 7.49273135
|
||
49 7.49273135
|
||
50 7.70565009
|
||
51 7.70565009
|
||
52 8.59970125
|
||
53 8.59970125
|
||
54 8.62777645
|
||
55 9.28662999
|
||
56 9.46110126
|
||
57 9.78354043
|
||
58 9.78354043
|
||
59 9.82263846
|
||
60 9.82263846
|
||
61 10.07225007
|
||
62 10.07225007
|
||
63 10.46147997
|
||
64 13.25919113
|
||
65 13.47387698
|
||
66 14.02902869
|
||
67 14.02902869
|
||
68 17.33158589
|
||
69 26.83204901
|
||
70 30.33951727
|
||
|
||
Total CPU time for UHF = 2.202 seconds
|
||
|
||
|
||
AO to MO transformation... Please be patient
|
||
|
||
Total CPU time for AO to MO transformation = 15.135 seconds
|
||
|
||
|
||
************************************************
|
||
| One-shot G0W0 calculation |
|
||
| *** Unrestricted version *** |
|
||
************************************************
|
||
|
||
Tamm-Dancoff approximation activated!
|
||
|
||
|
||
-------------------------------------------------------------
|
||
RPA@UHF calculation: spin-conserved manifold
|
||
-------------------------------------------------------------
|
||
| State | Excitation energy (au) | Excitation energy (eV) |
|
||
-------------------------------------------------------------
|
||
| 1 | 0.334270 | 9.095943 |
|
||
| 2 | 0.545739 | 14.850328 |
|
||
| 3 | 0.545739 | 14.850328 |
|
||
| 4 | 0.605757 | 16.483495 |
|
||
| 5 | 0.905902 | 24.650850 |
|
||
| 6 | 0.910529 | 24.776761 |
|
||
| 7 | 0.910529 | 24.776761 |
|
||
| 8 | 1.068827 | 29.084267 |
|
||
| 9 | 1.170405 | 31.848351 |
|
||
| 10 | 1.216105 | 33.091905 |
|
||
| 11 | 1.419767 | 38.633821 |
|
||
| 12 | 1.419767 | 38.633821 |
|
||
| 13 | 1.441839 | 39.234438 |
|
||
| 14 | 1.480062 | 40.274540 |
|
||
| 15 | 1.703115 | 46.344121 |
|
||
| 16 | 1.703115 | 46.344121 |
|
||
| 17 | 1.707299 | 46.457964 |
|
||
| 18 | 1.723476 | 46.898177 |
|
||
| 19 | 1.723476 | 46.898177 |
|
||
| 20 | 1.955031 | 53.199094 |
|
||
-------------------------------------------------------------
|
||
|
||
*** Quasiparticle energies obtained by linearization ***
|
||
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
Unrestricted one-shot G0W0 calculation (eV)
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
| | e_HF | Sig_c | Z | e_QP |
|
||
| #| up dw | up dw | up dw | up dw |
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
| 1| -27.807314 -5.278362| 1.704237 -2.302273| 0.671720 0.935528| -26.662545 -7.432201|
|
||
| 2| -4.815916 4.573090| -0.278187 -0.243604| 0.970789 0.684561| -5.085977 4.406329|
|
||
| 3| 3.420459 5.480888| -0.157387 -0.795737| 0.988370 0.947377| 3.264902 4.727025|
|
||
| 4| 9.531181 11.364039| -0.738390 -1.035340| 0.970831 0.952656| 8.814330 10.377715|
|
||
| 5| 9.531181 11.364039| -0.738390 -1.035340| 0.970831 0.952656| 8.814330 10.377715|
|
||
| 6| 10.155341 14.386485| -0.519631 -2.040818| 0.940857 0.410981| 9.666444 13.547748|
|
||
| 7| 18.025548 20.370516| -0.760487 -3.754884| 0.870787 0.055515| 17.363326 20.162065|
|
||
| 8| 18.786330 20.370516| 2.667426 -3.754884| 0.068821 0.055515| 18.969904 20.162065|
|
||
| 9| 18.786330 20.710528| 2.667426 -1.305562| 0.068821 0.848948| 18.969904 19.602174|
|
||
| 10| 24.040882 26.046820| -0.689724 -2.336560| 0.921170 0.292347| 23.405528 25.363733|
|
||
| 11| 27.594970 28.442043| 0.569662 -0.968414| 0.311466 0.712615| 27.772400 27.751937|
|
||
| 12| 34.393298 37.647756| -1.068749 -1.296466| 0.859602 0.724549| 33.474600 36.708403|
|
||
| 13| 41.290885 43.545998| -4.103905 -1.623350| 0.076531 0.143134| 40.976810 43.313643|
|
||
| 14| 41.290885 43.545998| -4.103905 -1.623350| 0.076531 0.143134| 40.976810 43.313643|
|
||
| 15| 48.779665 49.927263| 3.856388 -15.122750| 0.111800 0.014992| 49.210811 49.700543|
|
||
| 16| 48.779665 49.927263| 3.856388 -15.122750| 0.111800 0.014992| 49.210811 49.700543|
|
||
| 17| 53.847380 56.156243| -1.307175 -1.352139| 0.808701 0.715920| 52.790265 55.188220|
|
||
| 18| 56.881546 58.363731| -1.319087 -1.346447| 0.822661 0.827426| 55.796384 57.249646|
|
||
| 19| 56.881546 58.363731| -1.319087 -1.346447| 0.822661 0.827426| 55.796384 57.249646|
|
||
| 20| 66.316111 67.202968| -0.951534 -0.955667| 0.906217 0.903300| 65.453815 66.339714|
|
||
| 21| 66.316111 67.202968| -0.951534 -0.955667| 0.906217 0.903300| 65.453815 66.339714|
|
||
| 22| 67.204393 68.484143| -0.892619 -0.835069| 0.728183 0.661679| 66.554403 67.931595|
|
||
| 23| 67.204393 68.484143| -0.892619 -0.835069| 0.728183 0.661679| 66.554403 67.931595|
|
||
| 24| 71.265033 72.432781| -1.614761 -1.452587| 0.830542 0.773530| 69.923907 71.309162|
|
||
| 25| 72.558825 74.560737| -1.241382 -1.565411| 0.467479 0.554071| 71.978505 73.693388|
|
||
| 26| 83.452993 85.746357| -0.803496 -0.768459| 0.327245 0.271459| 83.190053 85.537752|
|
||
| 27| 91.887318 92.830895| 4.592709 -6.811678| 0.058909 0.055760| 92.157868 92.451077|
|
||
| 28| 91.887318 92.830895| 4.592709 -6.811678| 0.058909 0.055760| 92.157868 92.451077|
|
||
| 29| 92.163055 93.264420| 0.987515 -0.977350| 0.070978 0.216559| 92.233146 93.052767|
|
||
| 30| 108.092335 109.774442| -1.291761 -1.423282| 0.818577 0.798611| 107.034929 108.637794|
|
||
| 31| 108.092335 109.774442| -1.291761 -1.423282| 0.818577 0.798611| 107.034929 108.637794|
|
||
| 32| 123.346943 125.087520| 0.525435 2.759420| 0.183774 0.041366| 123.443504 125.201667|
|
||
| 33| 137.838733 138.966809| -1.920087 -1.462025| 0.285140 0.449067| 137.291240 138.310261|
|
||
| 34| 137.838733 138.966809| -1.920087 -1.462025| 0.285140 0.449067| 137.291240 138.310261|
|
||
| 35| 140.367560 141.656271| -1.144684 -1.094607| 0.702590 0.676772| 139.563316 140.915472|
|
||
| 36| 149.001021 149.912807| -1.071581 -1.070804| 0.800465 0.799268| 148.143257 149.056947|
|
||
| 37| 149.001021 149.912807| -1.071581 -1.070804| 0.800465 0.799268| 148.143257 149.056947|
|
||
| 38| 173.108643 174.328796| -1.808061 -1.813812| 0.775389 0.773634| 171.706692 172.925570|
|
||
| 39| 173.108643 174.328796| -1.808061 -1.813812| 0.775389 0.773634| 171.706692 172.925570|
|
||
| 40| 183.711469 184.434701| -1.673163 -1.635227| 0.817956 0.823569| 182.342895 183.087980|
|
||
| 41| 183.711469 184.434701| -1.673163 -1.635227| 0.817956 0.823569| 182.342895 183.087980|
|
||
| 42| 191.570330 192.417873| -2.203691 -2.125297| 0.765852 0.809262| 189.882629 190.697950|
|
||
| 43| 191.570330 192.417873| -2.203691 -2.125297| 0.765852 0.809262| 189.882629 190.697950|
|
||
| 44| 193.635621 194.903534| -2.593356 -2.661917| 0.491292 0.398254| 192.361525 193.843414|
|
||
| 45| 194.234618 195.428138| -0.625141 -0.498019| 0.481426 0.168866| 193.933659 195.344039|
|
||
| 46| 194.967520 195.815367| -1.961517 -1.856589| 0.696416 0.779571| 193.601488 194.368025|
|
||
| 47| 194.967520 195.815367| -1.961517 -1.856589| 0.696416 0.779571| 193.601488 194.368025|
|
||
| 48| 202.744092 203.887605| 1.398931 0.448136| 0.180987 0.112241| 202.997281 203.937904|
|
||
| 49| 202.744092 203.887605| 1.398931 0.448136| 0.180987 0.112241| 202.997281 203.937904|
|
||
| 50| 208.446389 209.681419| -2.529937 -2.582059| 0.747655 0.726611| 206.554869 207.805266|
|
||
| 51| 208.446389 209.681419| -2.529937 -2.582059| 0.747655 0.726611| 206.554869 207.805266|
|
||
| 52| 232.558749 234.009790| -2.104792 -2.136894| 0.287703 0.411129| 231.953194 233.131252|
|
||
| 53| 232.558749 234.009790| -2.104792 -2.136894| 0.287703 0.411129| 231.953194 233.131252|
|
||
| 54| 232.889366 234.773756| -3.636004 2.375270| 0.229724 0.041913| 232.054087 234.873311|
|
||
| 55| 251.409748 252.702074| -1.727667 -1.900169| 0.416600 0.429674| 250.690002 251.885621|
|
||
| 56| 256.199836 257.449678| -2.720331 -2.633176| 0.447023 0.513054| 254.983785 256.098718|
|
||
| 57| 265.022859 266.223695| -5.163602 -5.720766| 0.096746 0.076157| 264.523300 265.788020|
|
||
| 58| 265.022859 266.223695| -5.163602 -5.720766| 0.096746 0.076157| 264.523300 265.788020|
|
||
| 59| 266.057211 267.287607| -0.003815 0.122724| 0.253101 0.203917| 266.056246 267.312632|
|
||
| 60| 266.057211 267.287607| -0.003815 0.122724| 0.253101 0.203917| 266.056246 267.312632|
|
||
| 61| 273.042815 274.079885| 4.312648 8.147446| 0.058976 0.025144| 273.297157 274.284745|
|
||
| 62| 273.042815 274.079885| 4.312648 8.147446| 0.058976 0.025144| 273.297157 274.284745|
|
||
| 63| 283.360404 284.671370| -2.049746 -2.432518| 0.453678 0.411584| 282.430480 283.670184|
|
||
| 64| 359.499201 360.800968| -2.529496 -2.634535| 0.724076 0.694462| 357.667655 358.971383|
|
||
| 65| 365.704015 366.642868| -0.744967 -0.678733| 0.802736 0.787211| 365.106004 366.108562|
|
||
| 66| 380.715888 381.749315| -1.403516 -2.022617| 0.355808 0.376897| 380.216505 380.986996|
|
||
| 67| 380.715888 381.749315| -1.403516 -2.022617| 0.355808 0.376897| 380.216505 380.986996|
|
||
| 68| 470.816751 471.616474| -1.755368 -1.501037| 0.542834 0.551897| 469.863878 470.788056|
|
||
| 69| 729.421403 730.137243| -2.258587 -2.231524| 0.804568 0.862042| 727.604217 728.213576|
|
||
| 70| 824.895464 825.580316| -2.785311 -2.788589| 0.771800 0.774229| 822.745762 823.421309|
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
UG0W0 HOMO energy: 0.000000 eV
|
||
UG0W0 LUMO energy: -7.432201 eV
|
||
UG0W0 HOMO-LUMO gap : -7.432201 eV
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
RPA@UG0W0 total energy : -0.711259 au
|
||
RPA@UG0W0 correlation energy: -0.030070 au
|
||
GM@UG0W0 total energy : -0.737995 au
|
||
GM@UG0W0 correlation energy: -0.056805 au
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
|
||
|
||
-------------------------------------------------------------
|
||
BSE@UGW calculation: spin-flip manifold
|
||
-------------------------------------------------------------
|
||
| State | Excitation energy (au) | Excitation energy (eV) |
|
||
-------------------------------------------------------------
|
||
| 1 | -0.455346 | -12.390592 |
|
||
| 2 | 0.025763 | 0.701054 |
|
||
| 3 | 0.094159 | 2.562185 |
|
||
| 4 | 0.103466 | 2.815452 |
|
||
| 5 | 0.252741 | 6.877429 |
|
||
| 6 | 0.252741 | 6.877429 |
|
||
| 7 | 0.378949 | 10.311718 |
|
||
| 8 | 0.575270 | 15.653897 |
|
||
| 9 | 0.613679 | 16.699057 |
|
||
| 10 | 0.613679 | 16.699057 |
|
||
| 11 | 0.812286 | 22.103420 |
|
||
| 12 | 0.826175 | 22.481374 |
|
||
| 13 | 0.845283 | 23.001321 |
|
||
| 14 | 0.907708 | 24.700003 |
|
||
| 15 | 0.941723 | 25.625595 |
|
||
| 16 | 0.941723 | 25.625595 |
|
||
| 17 | 1.096212 | 29.829457 |
|
||
| 18 | 1.194838 | 32.513211 |
|
||
| 19 | 1.345007 | 36.599496 |
|
||
| 20 | 1.366104 | 37.173580 |
|
||
-------------------------------------------------------------
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 1: -12.390592 eV f = 0.0000 <S**2> = 0.0339
|
||
-------------------------------------------------------------
|
||
2A -> 1B = 0.995875
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 2: 0.701054 eV f = 0.0000 <S**2> = 1.9955
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.715940
|
||
1A -> 3B = -0.130786
|
||
2A -> 2B = 0.642078
|
||
2A -> 6B = -0.226356
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 3: 2.562185 eV f = 0.0000 <S**2> = 0.0716
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.644222
|
||
1A -> 3B = -0.141184
|
||
2A -> 2B = -0.745550
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 4: 2.815452 eV f = 0.0000 <S**2> = 0.9778
|
||
-------------------------------------------------------------
|
||
2A -> 3B = -0.993675
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 5: 6.877429 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
2A -> 4B = -0.998885
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 6: 6.877429 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
2A -> 5B = -0.998885
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 7: 10.311718 eV f = 0.0000 <S**2> = 0.9393
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.149531
|
||
2A -> 2B = 0.174347
|
||
2A -> 6B = 0.970703
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 8: 15.653897 eV f = 0.0000 <S**2> = 0.9827
|
||
-------------------------------------------------------------
|
||
1A -> 2B = -0.109691
|
||
2A -> 9B = 0.988476
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 9: 16.699057 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
2A -> 7B = 0.992669
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 10: 16.699057 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
2A -> 8B = 0.992669
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 11: 22.103420 eV f = 0.0000 <S**2> = 0.6132
|
||
-------------------------------------------------------------
|
||
1A -> 2B = -0.567488
|
||
1A -> 6B = 0.240152
|
||
2A -> 10B = 0.776074
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 12: 22.481374 eV f = 0.0000 <S**2> = 0.3965
|
||
-------------------------------------------------------------
|
||
1A -> 2B = 0.718738
|
||
1A -> 6B = -0.281675
|
||
2A -> 10B = 0.626080
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 13: 23.001321 eV f = 0.0000 <S**2> = 1.0008
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.209006
|
||
1A -> 3B = 0.960017
|
||
1A -> 10B = 0.141056
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 14: 24.700003 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
2A -> 11B = 0.995115
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 15: 25.625595 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 4B = -0.988790
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 16: 25.625595 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 5B = 0.988790
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 17: 29.829457 eV f = 0.0000 <S**2> = 0.9989
|
||
-------------------------------------------------------------
|
||
1A -> 2B = 0.385200
|
||
1A -> 6B = 0.907191
|
||
1A -> 12B = 0.153524
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 18: 32.513211 eV f = 0.0000 <S**2> = 0.9949
|
||
-------------------------------------------------------------
|
||
2A -> 12B = 0.987334
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 19: 36.599496 eV f = 0.0000 <S**2> = 0.9988
|
||
-------------------------------------------------------------
|
||
1A -> 9B = 0.985839
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 20: 37.173580 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 7B = 0.990977
|
||
|
||
Thomas-Reiche-Kuhn sum rule = 0.000000
|
||
|
||
|
||
-------------------------------------------------------------------------------
|
||
Tr@BSE@UG0W0 correlation energy (spin-conserved) = 0.0000000000
|
||
Tr@BSE@UG0W0 correlation energy (spin-flip) = 0.0000000000
|
||
Tr@BSE@UG0W0 correlation energy = 0.0000000000
|
||
Tr@BSE@UG0W0 total energy = -0.6811894343
|
||
-------------------------------------------------------------------------------
|
||
|
||
Total CPU time for G0W0 = 0.504 seconds
|
||
|
||
Total CPU time for QuAcK = 19.029 seconds
|
||
|