2670 lines
195 KiB
Plaintext
2670 lines
195 KiB
Plaintext
210 significant shell pairs computed in 0.000102 seconds
|
||
0
|
||
Computed Electron repulsion integrals Integrals in parallel in 3.639318 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 2.2676713505
|
||
|
||
------------------
|
||
Nuclear repulsion energy = 0.4409810089
|
||
------------------
|
||
|
||
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 = 1.159 seconds
|
||
|
||
|
||
Lowdin orthogonalization
|
||
|
||
|
||
************************************************
|
||
* Unrestricted Hartree-Fock calculation *
|
||
************************************************
|
||
|
||
|
||
----------------------------------------------------------
|
||
| # | E(UHF) | Ex(UHF) | Conv |
|
||
----------------------------------------------------------
|
||
| 1 | -0.8994690300 | -0.7194880319 | 1.000000 |
|
||
| 2 | -0.9200712467 | -0.6782678453 | 0.018394 |
|
||
| 3 | -0.9223765452 | -0.6642614974 | 0.005096 |
|
||
| 4 | -0.9227169504 | -0.6594027259 | 0.002720 |
|
||
| 5 | -0.9227814971 | -0.6576690634 | 0.001419 |
|
||
| 6 | -0.9227959047 | -0.6570325767 | 0.000733 |
|
||
| 7 | -0.9227994009 | -0.6567926925 | 0.000377 |
|
||
| 8 | -0.9228002827 | -0.6567001888 | 0.000194 |
|
||
| 9 | -0.9228005093 | -0.6566638211 | 0.000099 |
|
||
| 10 | -0.9228005680 | -0.6566492939 | 0.000051 |
|
||
| 11 | -0.9228005833 | -0.6566434162 | 0.000026 |
|
||
| 12 | -0.9228005873 | -0.6566410138 | 0.000013 |
|
||
| 13 | -0.9228005883 | -0.6566400242 | 0.000007 |
|
||
| 14 | -0.9228005886 | -0.6566396140 | 0.000004 |
|
||
| 15 | -0.9228005886 | -0.6566394433 | 0.000002 |
|
||
| 16 | -0.9228005887 | -0.6566393719 | 0.000001 |
|
||
| 17 | -0.9228005887 | -0.6566393420 | 0.000000 |
|
||
| 18 | -0.9228005887 | -0.6566393295 | 0.000000 |
|
||
| 19 | -0.9228005887 | -0.6566393242 | 0.000000 |
|
||
| 20 | -0.9228005887 | -0.6566393220 | 0.000000 |
|
||
----------------------------------------------------------
|
||
|
||
-------------------------------------------------
|
||
Summary
|
||
-------------------------------------------------
|
||
One-electron energy: -1.7036513692 au
|
||
One-electron a energy: -1.7036513692 au
|
||
One-electron b energy: 0.0000000000 au
|
||
Kinetic energy: 1.1432425838 au
|
||
Kinetic a energy: 1.1432425838 au
|
||
Kinetic b energy: 0.0000000000 au
|
||
Potential energy: -2.8468939531 au
|
||
Potential a energy: -2.8468939531 au
|
||
Potential b energy: 0.0000000000 au
|
||
-------------------------------------------------
|
||
Two-electron energy: 0.3398697717 au
|
||
Two-electron aa energy: 0.3398697717 au
|
||
Two-electron ab energy: 0.0000000000 au
|
||
Two-electron bb energy: 0.0000000000 au
|
||
Hartree energy: 0.9965090937 au
|
||
Hartree aa energy: 0.9965090937 au
|
||
Hartree ab energy: 0.0000000000 au
|
||
Hartree bb energy: 0.0000000000 au
|
||
Exchange energy: -0.6566393220 au
|
||
Exchange a energy: -0.6566393220 au
|
||
Exchange b energy: 0.0000000000 au
|
||
-------------------------------------------------
|
||
Electronic energy: -1.3637815976 au
|
||
Nuclear repulsion: 0.4409810089 au
|
||
UHF energy: -0.9228005887 au
|
||
-------------------------------------------------
|
||
UHF HOMO a energy: -9.079505 eV
|
||
UHF LUMO a energy: 5.491827 eV
|
||
UHF HOMOa-LUMOa gap: 14.571332 eV
|
||
-------------------------------------------------
|
||
UHF HOMO b energy: 0.000000 eV
|
||
UHF LUMO b energy: -0.733291 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 0.75392823 -0.73953686 -0.08794341 0.09218038 0.00000019
|
||
2 -0.00133416 -0.00958539 -0.16894754 -0.19188794 -0.00000009
|
||
3 -0.07102558 -0.06097501 1.61849947 1.79355029 0.00000075
|
||
4 -0.12801208 -0.34519272 -1.12538349 -2.73089718 -0.00000092
|
||
5 0.00000001 -0.00000008 0.00000001 0.00000015 -0.44420219
|
||
6 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00781423
|
||
7 -0.00558067 0.00256666 0.02717163 -0.11931612 -0.00000005
|
||
8 -0.00000004 0.00000029 -0.00000004 -0.00000052 1.59011681
|
||
9 0.00000000 -0.00000000 0.00000000 0.00000001 -0.02797270
|
||
10 0.03743385 0.00997131 -0.08083192 0.44057632 0.00000020
|
||
11 0.00000007 -0.00000021 0.00000002 0.00000030 -0.86170432
|
||
12 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.01515876
|
||
13 -0.00474004 0.01777109 0.05115543 -0.27622106 -0.00000015
|
||
14 0.00047178 -0.00054372 -0.01571772 -0.01285934 -0.00000001
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00384331
|
||
17 0.00047178 -0.00054372 -0.01571772 -0.01285934 -0.00000000
|
||
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00006761
|
||
19 0.00149570 0.00004700 -0.01449046 -0.01291422 -0.00000000
|
||
20 0.00210194 -0.00318262 -0.18532732 -0.17706050 -0.00000008
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.00000000 -0.00000000 0.00000000 0.00000000 0.00502458
|
||
23 0.00210194 -0.00318262 -0.18532732 -0.17706050 -0.00000008
|
||
24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00008839
|
||
25 0.00624865 -0.00368101 -0.16917631 -0.21508407 -0.00000010
|
||
26 0.00000002 -0.00000012 0.00000002 0.00000021 -0.64335543
|
||
27 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00506141
|
||
28 -0.00507856 -0.00007192 0.01355640 -0.07655185 -0.00000003
|
||
29 0.00000001 -0.00000005 0.00000001 0.00000010 -0.28771730
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.00000001 -0.00000006 0.00000001 0.00000010 -0.29371846
|
||
32 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.01131765
|
||
33 -0.00507856 -0.00007192 0.01355640 -0.07655185 -0.00000003
|
||
34 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00516698
|
||
35 -0.01047029 -0.00136529 0.03916169 -0.19334201 -0.00000009
|
||
36 0.75392823 0.73953686 -0.08794341 -0.09218038 -0.00000019
|
||
37 -0.00133416 0.00958539 -0.16894754 0.19188794 0.00000009
|
||
38 -0.07102558 0.06097501 1.61849947 -1.79355029 -0.00000075
|
||
39 -0.12801208 0.34519272 -1.12538349 2.73089718 0.00000092
|
||
40 -0.00000001 -0.00000008 -0.00000001 0.00000015 -0.44420219
|
||
41 0.00000000 0.00000000 0.00000000 -0.00000000 0.00781423
|
||
42 0.00558067 0.00256666 -0.02717163 -0.11931612 -0.00000005
|
||
43 0.00000004 0.00000029 0.00000004 -0.00000052 1.59011681
|
||
44 -0.00000000 -0.00000000 -0.00000000 0.00000001 -0.02797270
|
||
45 -0.03743385 0.00997131 0.08083192 0.44057632 0.00000020
|
||
46 -0.00000007 -0.00000021 -0.00000002 0.00000030 -0.86170432
|
||
47 0.00000000 0.00000000 0.00000000 -0.00000000 0.01515876
|
||
48 0.00474004 0.01777109 -0.05115543 -0.27622106 -0.00000015
|
||
49 0.00047178 0.00054372 -0.01571772 0.01285934 0.00000001
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00384331
|
||
52 0.00047178 0.00054372 -0.01571772 0.01285934 0.00000000
|
||
53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00006761
|
||
54 0.00149570 -0.00004700 -0.01449046 0.01291422 0.00000000
|
||
55 0.00210194 0.00318262 -0.18532732 0.17706050 0.00000008
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00502458
|
||
58 0.00210194 0.00318262 -0.18532732 0.17706050 0.00000008
|
||
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00008839
|
||
60 0.00624865 0.00368101 -0.16917631 0.21508407 0.00000010
|
||
61 -0.00000002 -0.00000012 -0.00000002 0.00000021 -0.64335543
|
||
62 0.00000000 0.00000000 0.00000000 -0.00000000 0.00506141
|
||
63 0.00507856 -0.00007192 -0.01355640 -0.07655185 -0.00000003
|
||
64 -0.00000001 -0.00000005 -0.00000001 0.00000010 -0.28771730
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000001 -0.00000006 -0.00000001 0.00000010 -0.29371846
|
||
67 0.00000000 0.00000000 0.00000000 -0.00000000 0.01131765
|
||
68 0.00507856 -0.00007192 -0.01355640 -0.07655185 -0.00000003
|
||
69 0.00000000 0.00000000 0.00000000 -0.00000000 0.00516698
|
||
70 0.01047029 -0.00136529 -0.03916169 -0.19334201 -0.00000009
|
||
6 7 8 9 10
|
||
1 -0.00000000 -0.12447587 0.00000001 0.00000000 0.55257959
|
||
2 0.00000000 -0.05711526 -0.00000001 0.00000000 -0.06679153
|
||
3 -0.00000000 1.02943150 0.00000019 0.00000000 2.65525360
|
||
4 0.00000000 -0.41175952 -0.00000008 -0.00000000 1.19391485
|
||
5 0.00781423 0.00000008 -0.60111259 -0.01230634 -0.00000004
|
||
6 0.44420219 -0.00000000 0.01230634 -0.60111259 0.00000000
|
||
7 0.00000000 -0.55541390 -0.00000009 -0.00000000 0.58777625
|
||
8 -0.02797270 -0.00000029 2.18772465 0.04478841 0.00000013
|
||
9 -1.59011681 0.00000000 -0.04478841 2.18772465 -0.00000000
|
||
10 -0.00000000 1.96698314 0.00000033 0.00000000 -2.20328800
|
||
11 0.01515876 0.00000021 -1.48491579 -0.03040009 -0.00000004
|
||
12 0.86170432 -0.00000000 0.03040009 -1.48491579 0.00000000
|
||
13 0.00000000 -1.16686873 -0.00000018 -0.00000000 3.63570613
|
||
14 0.00000000 -0.00535757 -0.00000000 0.00000000 0.01613858
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.00006761 -0.00000000 0.00625950 0.00012815 0.00000000
|
||
17 0.00000000 -0.00535757 -0.00000000 0.00000000 0.01613858
|
||
18 0.00384331 0.00000000 -0.00012815 0.00625950 0.00000000
|
||
19 0.00000000 -0.00981275 -0.00000000 0.00000000 -0.02531558
|
||
20 0.00000000 -0.06090151 -0.00000002 -0.00000000 -0.06180142
|
||
21 -0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
22 -0.00008839 0.00000001 -0.02145132 -0.00043916 0.00000000
|
||
23 0.00000000 -0.06090151 -0.00000001 0.00000000 -0.06180142
|
||
24 -0.00502458 -0.00000000 0.00043916 -0.02145132 0.00000000
|
||
25 0.00000000 -0.08657846 -0.00000002 -0.00000000 0.38363411
|
||
26 0.01131765 0.00000012 -0.87032140 -0.01781774 -0.00000005
|
||
27 0.28771730 -0.00000000 0.00796834 -0.38921956 0.00000000
|
||
28 0.00000000 -0.35595146 -0.00000006 -0.00000000 0.37108169
|
||
29 0.00506141 0.00000005 -0.38921956 -0.00796834 -0.00000002
|
||
30 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
31 0.00516698 0.00000005 -0.38792901 -0.00794192 -0.00000002
|
||
32 0.64335543 -0.00000000 0.01781774 -0.87032140 0.00000000
|
||
33 0.00000000 -0.35595146 -0.00000006 -0.00000000 0.37108169
|
||
34 0.29371846 -0.00000000 0.00794192 -0.38792901 0.00000000
|
||
35 0.00000000 -0.79115344 -0.00000013 -0.00000000 0.93548417
|
||
36 0.00000000 -0.12447587 0.00000001 0.00000000 -0.55257959
|
||
37 -0.00000000 -0.05711526 -0.00000001 0.00000000 0.06679153
|
||
38 0.00000000 1.02943150 0.00000019 0.00000000 -2.65525360
|
||
39 -0.00000000 -0.41175952 -0.00000008 -0.00000000 -1.19391485
|
||
40 0.00781423 -0.00000008 0.60111259 0.01230634 -0.00000004
|
||
41 0.44420219 0.00000000 -0.01230634 0.60111259 0.00000000
|
||
42 0.00000000 0.55541390 0.00000009 0.00000000 0.58777625
|
||
43 -0.02797270 0.00000029 -2.18772465 -0.04478841 0.00000013
|
||
44 -1.59011681 -0.00000000 0.04478841 -2.18772465 -0.00000000
|
||
45 -0.00000000 -1.96698314 -0.00000033 -0.00000000 -2.20328800
|
||
46 0.01515876 -0.00000021 1.48491579 0.03040009 -0.00000004
|
||
47 0.86170432 0.00000000 -0.03040009 1.48491579 0.00000000
|
||
48 0.00000000 1.16686873 0.00000018 0.00000000 3.63570613
|
||
49 0.00000000 -0.00535757 -0.00000000 0.00000000 -0.01613858
|
||
50 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.00006761 -0.00000000 0.00625950 0.00012815 0.00000000
|
||
52 0.00000000 -0.00535757 -0.00000000 0.00000000 -0.01613858
|
||
53 -0.00384331 0.00000000 -0.00012815 0.00625950 0.00000000
|
||
54 0.00000000 -0.00981275 -0.00000000 0.00000000 0.02531558
|
||
55 -0.00000000 -0.06090151 -0.00000002 -0.00000000 0.06180142
|
||
56 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
57 0.00008839 0.00000001 -0.02145132 -0.00043916 -0.00000000
|
||
58 -0.00000000 -0.06090151 -0.00000001 0.00000000 0.06180142
|
||
59 0.00502458 -0.00000000 0.00043916 -0.02145132 0.00000000
|
||
60 -0.00000000 -0.08657846 -0.00000002 -0.00000000 -0.38363411
|
||
61 0.01131765 -0.00000012 0.87032140 0.01781774 -0.00000005
|
||
62 0.28771730 0.00000000 -0.00796834 0.38921956 0.00000000
|
||
63 0.00000000 0.35595146 0.00000006 0.00000000 0.37108169
|
||
64 0.00506141 -0.00000005 0.38921956 0.00796834 -0.00000002
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.00516698 -0.00000005 0.38792901 0.00794192 -0.00000002
|
||
67 0.64335543 0.00000000 -0.01781774 0.87032140 0.00000000
|
||
68 0.00000000 0.35595146 0.00000006 0.00000000 0.37108169
|
||
69 0.29371846 0.00000000 -0.00794192 0.38792901 0.00000000
|
||
70 0.00000000 0.79115344 0.00000013 0.00000000 0.93548417
|
||
11 12 13 14 15
|
||
1 -1.91612022 1.82066114 -0.00000003 0.00000000 0.49087910
|
||
2 -0.97168336 1.31502321 -0.00000000 0.00000000 0.22643013
|
||
3 4.44095528 -7.67207768 0.00000001 -0.00000000 -1.18922808
|
||
4 -0.34818596 0.89958937 -0.00000002 0.00000000 0.12024981
|
||
5 0.00000001 -0.00000002 -1.39915296 0.05169093 0.00000003
|
||
6 -0.00000000 0.00000000 0.05169093 1.39915296 -0.00000000
|
||
7 0.22986060 -0.01804654 -0.00000002 0.00000000 1.46249778
|
||
8 -0.00000004 0.00000007 5.31039461 -0.19618958 -0.00000011
|
||
9 0.00000000 -0.00000000 -0.19618958 -5.31039461 0.00000000
|
||
10 -0.87653978 0.08872487 0.00000007 -0.00000000 -5.52705445
|
||
11 0.00000001 -0.00000002 -0.99627422 0.03680680 0.00000002
|
||
12 -0.00000000 0.00000000 0.03680680 0.99627422 -0.00000000
|
||
13 0.25131601 -1.86176371 -0.00000005 0.00000000 1.28421791
|
||
14 -0.04197459 0.02383852 -0.00000000 0.00000000 0.00523657
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.00000000 0.00000000 -0.02805650 0.00103653 0.00000000
|
||
17 -0.04197459 0.02383852 -0.00000000 0.00000000 0.00523657
|
||
18 0.00000000 0.00000000 0.00103653 0.02805650 0.00000000
|
||
19 -0.04101719 0.05438041 -0.00000000 0.00000000 0.01492117
|
||
20 -0.69598980 0.82128648 -0.00000002 0.00000000 0.11507016
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 -0.00000000 0.00000000 0.18370855 -0.00678701 0.00000001
|
||
23 -0.69598980 0.82128648 -0.00000001 0.00000000 0.11507016
|
||
24 0.00000000 0.00000000 -0.00678701 -0.18370855 -0.00000000
|
||
25 -0.66402696 0.59159705 -0.00000002 0.00000000 0.17190594
|
||
26 0.00000002 -0.00000003 -2.06307434 0.07621914 0.00000004
|
||
27 -0.00000000 0.00000000 0.03408623 0.92263489 -0.00000000
|
||
28 0.14039941 -0.00684955 -0.00000001 0.00000000 0.95626384
|
||
29 0.00000001 -0.00000001 -0.92263489 0.03408623 0.00000002
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.00000001 -0.00000001 -0.94520689 0.03492014 0.00000002
|
||
32 -0.00000000 0.00000000 0.07621914 2.06307434 -0.00000000
|
||
33 0.14039941 -0.00684955 -0.00000001 0.00000000 0.95626384
|
||
34 -0.00000000 0.00000000 0.03492014 0.94520689 -0.00000000
|
||
35 0.34351672 -0.01381777 -0.00000003 0.00000000 2.13207320
|
||
36 -1.91612022 -1.82066114 0.00000003 -0.00000000 0.49087910
|
||
37 -0.97168336 -1.31502321 0.00000000 0.00000000 0.22643013
|
||
38 4.44095528 7.67207768 -0.00000001 0.00000000 -1.18922808
|
||
39 -0.34818596 -0.89958937 0.00000002 -0.00000000 0.12024981
|
||
40 -0.00000001 -0.00000002 -1.39915296 0.05169093 -0.00000003
|
||
41 0.00000000 0.00000000 0.05169093 1.39915296 0.00000000
|
||
42 -0.22986060 -0.01804654 -0.00000002 0.00000000 -1.46249778
|
||
43 0.00000004 0.00000007 5.31039461 -0.19618958 0.00000011
|
||
44 -0.00000000 -0.00000000 -0.19618958 -5.31039461 -0.00000000
|
||
45 0.87653978 0.08872487 0.00000007 -0.00000000 5.52705445
|
||
46 -0.00000001 -0.00000002 -0.99627422 0.03680680 -0.00000002
|
||
47 0.00000000 0.00000000 0.03680680 0.99627422 0.00000000
|
||
48 -0.25131601 -1.86176371 -0.00000005 0.00000000 -1.28421791
|
||
49 -0.04197459 -0.02383852 0.00000000 0.00000000 0.00523657
|
||
50 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
51 0.00000000 -0.00000000 0.02805650 -0.00103653 0.00000000
|
||
52 -0.04197459 -0.02383852 0.00000000 0.00000000 0.00523657
|
||
53 0.00000000 0.00000000 -0.00103653 -0.02805650 0.00000000
|
||
54 -0.04101719 -0.05438041 0.00000000 0.00000000 0.01492117
|
||
55 -0.69598980 -0.82128648 0.00000002 -0.00000000 0.11507016
|
||
56 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
57 -0.00000000 -0.00000000 -0.18370855 0.00678701 0.00000001
|
||
58 -0.69598980 -0.82128648 0.00000001 -0.00000000 0.11507016
|
||
59 0.00000000 0.00000000 0.00678701 0.18370855 -0.00000000
|
||
60 -0.66402696 -0.59159705 0.00000002 -0.00000000 0.17190594
|
||
61 -0.00000002 -0.00000003 -2.06307434 0.07621914 -0.00000004
|
||
62 0.00000000 0.00000000 0.03408623 0.92263489 0.00000000
|
||
63 -0.14039941 -0.00684955 -0.00000001 0.00000000 -0.95626384
|
||
64 -0.00000001 -0.00000001 -0.92263489 0.03408623 -0.00000002
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000001 -0.00000001 -0.94520689 0.03492014 -0.00000002
|
||
67 0.00000000 0.00000000 0.07621914 2.06307434 0.00000000
|
||
68 -0.14039941 -0.00684955 -0.00000001 0.00000000 -0.95626384
|
||
69 0.00000000 0.00000000 0.03492014 0.94520689 0.00000000
|
||
70 -0.34351672 -0.01381777 -0.00000003 0.00000000 -2.13207320
|
||
16 17 18 19 20
|
||
1 0.00000000 0.00000000 -0.00000000 0.00000001 0.00000001
|
||
2 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000001
|
||
3 0.00000000 0.00000000 0.00000000 -0.00000003 -0.00000002
|
||
4 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000004
|
||
5 0.00000003 0.00000000 -0.14284985 1.66734137 0.66776686
|
||
6 0.00000000 -0.00000003 1.66734137 0.14284985 0.07916932
|
||
7 0.00000000 0.00000000 0.00000000 -0.00000003 0.00000006
|
||
8 -0.00000012 -0.00000000 0.54650107 -6.37875231 -2.52025620
|
||
9 -0.00000000 0.00000012 -6.37875231 -0.54650107 -0.29879736
|
||
10 0.00000000 0.00000000 -0.00000001 0.00000011 -0.00000021
|
||
11 0.00000002 0.00000000 -0.13076947 1.52633930 0.35036012
|
||
12 0.00000000 -0.00000002 1.52633930 0.13076947 0.04153811
|
||
13 0.00000000 0.00000000 0.00000000 -0.00000003 0.00000006
|
||
14 -0.08469128 0.00014907 -0.00000000 0.00000000 -0.00000000
|
||
15 0.00017213 0.09779306 0.00000000 0.00000000 -0.00000000
|
||
16 -0.00000000 0.00000000 0.00144970 -0.01692084 -0.08280669
|
||
17 0.08469128 -0.00014907 0.00000000 -0.00000000 0.00000000
|
||
18 0.00000000 0.00000000 -0.01692084 -0.00144970 -0.00981742
|
||
19 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
20 0.60404685 -0.00106323 -0.00000000 0.00000001 0.00000004
|
||
21 -0.00122771 -0.69749322 -0.00000001 -0.00000000 0.00000000
|
||
22 0.00000000 0.00000000 -0.00937302 0.10940178 0.63224584
|
||
23 -0.60404685 0.00106323 -0.00000000 0.00000003 -0.00000002
|
||
24 0.00000000 -0.00000000 0.10940178 0.00937302 0.07495801
|
||
25 0.00000000 0.00000000 -0.00000000 0.00000001 0.00000001
|
||
26 0.00000004 0.00000000 -0.20972501 2.44790712 0.99941779
|
||
27 0.00000000 -0.00000002 1.09473735 0.09379187 0.05299003
|
||
28 0.00474626 -0.00000835 0.00000000 -0.00000002 0.00000003
|
||
29 0.00000002 0.00000000 -0.09379187 1.09473735 0.44695322
|
||
30 -0.00000965 -0.00548051 -0.00000000 -0.00000000 -0.00000000
|
||
31 0.00000002 0.00000000 -0.09394722 1.09655053 0.40597923
|
||
32 0.00000000 -0.00000005 2.44790712 0.20972501 0.11848930
|
||
33 -0.00474626 0.00000835 0.00000000 -0.00000002 0.00000004
|
||
34 0.00000000 -0.00000002 1.09655053 0.09394722 0.04813222
|
||
35 0.00000000 0.00000000 0.00000000 -0.00000004 0.00000009
|
||
36 0.00000000 0.00000000 -0.00000000 0.00000001 -0.00000001
|
||
37 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000001
|
||
38 0.00000000 0.00000000 0.00000000 -0.00000003 0.00000002
|
||
39 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000004
|
||
40 -0.00000003 -0.00000000 0.14284985 -1.66734137 0.66776686
|
||
41 -0.00000000 0.00000003 -1.66734137 -0.14284985 0.07916932
|
||
42 0.00000000 0.00000000 -0.00000000 0.00000003 0.00000006
|
||
43 0.00000012 0.00000000 -0.54650107 6.37875231 -2.52025620
|
||
44 0.00000000 -0.00000012 6.37875231 0.54650107 -0.29879736
|
||
45 0.00000000 0.00000000 0.00000001 -0.00000011 -0.00000021
|
||
46 -0.00000002 -0.00000000 0.13076947 -1.52633930 0.35036012
|
||
47 -0.00000000 0.00000002 -1.52633930 -0.13076947 0.04153811
|
||
48 0.00000000 0.00000000 -0.00000000 0.00000003 0.00000006
|
||
49 -0.08469128 0.00014907 -0.00000000 0.00000000 0.00000000
|
||
50 0.00017213 0.09779306 0.00000000 0.00000000 0.00000000
|
||
51 -0.00000000 0.00000000 0.00144970 -0.01692084 0.08280669
|
||
52 0.08469128 -0.00014907 0.00000000 -0.00000000 -0.00000000
|
||
53 0.00000000 0.00000000 -0.01692084 -0.00144970 0.00981742
|
||
54 0.00000000 0.00000000 -0.00000000 0.00000000 -0.00000000
|
||
55 0.60404685 -0.00106323 -0.00000000 0.00000001 -0.00000004
|
||
56 -0.00122771 -0.69749322 -0.00000001 -0.00000000 -0.00000000
|
||
57 0.00000000 0.00000000 -0.00937302 0.10940178 -0.63224584
|
||
58 -0.60404685 0.00106323 -0.00000000 0.00000003 0.00000002
|
||
59 0.00000000 -0.00000000 0.10940178 0.00937302 -0.07495801
|
||
60 0.00000000 0.00000000 -0.00000000 0.00000001 -0.00000001
|
||
61 -0.00000004 -0.00000000 0.20972501 -2.44790712 0.99941779
|
||
62 -0.00000000 0.00000002 -1.09473735 -0.09379187 0.05299003
|
||
63 -0.00474626 0.00000835 -0.00000000 0.00000002 0.00000003
|
||
64 -0.00000002 -0.00000000 0.09379187 -1.09473735 0.44695322
|
||
65 0.00000965 0.00548051 0.00000000 0.00000000 -0.00000000
|
||
66 -0.00000002 -0.00000000 0.09394722 -1.09655053 0.40597923
|
||
67 -0.00000000 0.00000005 -2.44790712 -0.20972501 0.11848930
|
||
68 0.00474626 -0.00000835 -0.00000000 0.00000002 0.00000004
|
||
69 -0.00000000 0.00000002 -1.09655053 -0.09394722 0.04813222
|
||
70 0.00000000 0.00000000 -0.00000000 0.00000004 0.00000009
|
||
21 22 23 24 25
|
||
1 -0.00000000 0.00000000 0.00000000 0.02792765 -0.64709718
|
||
2 0.00000000 0.00000000 0.00000000 -0.08040765 -0.55060455
|
||
3 0.00000000 0.00000000 0.00000000 2.13891201 2.06471385
|
||
4 -0.00000000 0.00000000 0.00000000 0.94264239 -0.02984551
|
||
5 -0.07916932 -0.00000003 0.00000000 -0.00000002 -0.00000000
|
||
6 0.66776686 -0.00000000 -0.00000003 0.00000000 0.00000000
|
||
7 -0.00000001 0.00000000 0.00000000 1.16292438 0.68088706
|
||
8 0.29879736 0.00000011 -0.00000000 0.00000009 -0.00000000
|
||
9 -2.52025620 0.00000000 0.00000011 -0.00000000 0.00000000
|
||
10 0.00000003 0.00000000 0.00000000 -4.57383860 -2.53095224
|
||
11 -0.04153811 -0.00000002 0.00000000 -0.00000001 0.00000003
|
||
12 0.35036012 -0.00000000 -0.00000002 0.00000000 -0.00000000
|
||
13 -0.00000001 0.00000000 0.00000000 3.31990643 0.82418049
|
||
14 0.00000000 -0.09276722 0.00017088 0.04076412 0.02305101
|
||
15 -0.00000000 -0.00019732 -0.10711836 0.00000000 0.00000000
|
||
16 0.00981742 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
17 -0.00000000 0.09276722 -0.00017088 0.04076412 0.02305101
|
||
18 -0.08280669 0.00000000 0.00000000 0.00000000 0.00000000
|
||
19 0.00000000 0.00000000 0.00000000 -0.05716726 -0.14031285
|
||
20 -0.00000000 0.73189450 -0.00134819 -0.08291596 -1.07720933
|
||
21 0.00000003 0.00155676 0.84511897 0.00000000 0.00000000
|
||
22 -0.07495801 -0.00000003 0.00000000 -0.00000001 0.00000006
|
||
23 0.00000000 -0.73189450 0.00134819 -0.08291596 -1.07720933
|
||
24 0.63224584 -0.00000000 -0.00000003 0.00000000 -0.00000000
|
||
25 -0.00000000 0.00000000 0.00000000 1.34317211 0.35692077
|
||
26 -0.11848930 -0.00000005 0.00000000 -0.00000003 0.00000000
|
||
27 0.44695322 -0.00000000 -0.00000002 0.00000000 0.00000000
|
||
28 -0.00000000 -0.00899164 0.00001656 0.74535062 0.45404339
|
||
29 -0.05299003 -0.00000002 0.00000000 -0.00000001 0.00000000
|
||
30 -0.00000000 -0.00001913 -0.01038266 0.00000000 0.00000000
|
||
31 -0.04813222 -0.00000002 0.00000000 -0.00000002 -0.00000000
|
||
32 0.99941779 -0.00000000 -0.00000004 0.00000000 0.00000000
|
||
33 -0.00000000 0.00899164 -0.00001656 0.74535062 0.45404339
|
||
34 0.40597923 -0.00000000 -0.00000002 0.00000000 0.00000000
|
||
35 -0.00000001 0.00000000 0.00000000 1.94270515 0.91941916
|
||
36 0.00000000 0.00000000 0.00000000 -0.02792765 -0.64709718
|
||
37 -0.00000000 0.00000000 0.00000000 0.08040765 -0.55060455
|
||
38 -0.00000000 0.00000000 0.00000000 -2.13891201 2.06471385
|
||
39 0.00000000 0.00000000 0.00000000 -0.94264239 -0.02984551
|
||
40 -0.07916932 -0.00000003 0.00000000 -0.00000002 0.00000000
|
||
41 0.66776686 -0.00000000 -0.00000003 0.00000000 0.00000000
|
||
42 -0.00000001 0.00000000 0.00000000 1.16292438 -0.68088706
|
||
43 0.29879736 0.00000011 -0.00000000 0.00000009 0.00000000
|
||
44 -2.52025620 0.00000000 0.00000011 -0.00000000 0.00000000
|
||
45 0.00000003 0.00000000 0.00000000 -4.57383860 2.53095224
|
||
46 -0.04153811 -0.00000002 0.00000000 -0.00000001 -0.00000003
|
||
47 0.35036012 -0.00000000 -0.00000002 0.00000000 0.00000000
|
||
48 -0.00000001 0.00000000 0.00000000 3.31990643 -0.82418049
|
||
49 -0.00000000 0.09276722 -0.00017088 -0.04076412 0.02305101
|
||
50 0.00000000 0.00019732 0.10711836 0.00000000 0.00000000
|
||
51 -0.00981742 -0.00000000 0.00000000 -0.00000000 -0.00000001
|
||
52 0.00000000 -0.09276722 0.00017088 -0.04076412 0.02305101
|
||
53 0.08280669 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
54 0.00000000 0.00000000 0.00000000 0.05716726 -0.14031285
|
||
55 0.00000000 -0.73189450 0.00134819 0.08291596 -1.07720933
|
||
56 -0.00000003 -0.00155676 -0.84511897 0.00000000 0.00000000
|
||
57 0.07495801 0.00000003 -0.00000000 0.00000001 0.00000006
|
||
58 -0.00000000 0.73189450 -0.00134819 0.08291596 -1.07720933
|
||
59 -0.63224584 0.00000000 0.00000003 -0.00000000 -0.00000000
|
||
60 0.00000000 0.00000000 0.00000000 -1.34317211 0.35692077
|
||
61 -0.11848930 -0.00000005 0.00000000 -0.00000003 -0.00000000
|
||
62 0.44695322 -0.00000000 -0.00000002 0.00000000 0.00000000
|
||
63 -0.00000000 -0.00899164 0.00001656 0.74535062 -0.45404339
|
||
64 -0.05299003 -0.00000002 0.00000000 -0.00000001 -0.00000000
|
||
65 -0.00000000 -0.00001913 -0.01038266 0.00000000 0.00000000
|
||
66 -0.04813222 -0.00000002 0.00000000 -0.00000002 0.00000000
|
||
67 0.99941779 -0.00000000 -0.00000004 0.00000000 0.00000000
|
||
68 -0.00000000 0.00899164 -0.00001656 0.74535062 -0.45404339
|
||
69 0.40597923 -0.00000000 -0.00000002 0.00000000 0.00000000
|
||
70 -0.00000001 0.00000000 0.00000000 1.94270515 -0.91941916
|
||
26 27 28 29 30
|
||
1 0.00000003 0.00000008 -1.04117989 0.94725313 -0.46140280
|
||
2 0.00000000 0.00000000 0.30833805 0.19841891 -0.78747150
|
||
3 -0.00000011 -0.00000028 3.65533064 -6.87509825 -1.23800956
|
||
4 0.00000001 0.00000002 -0.27015867 0.60519988 -0.30690626
|
||
5 -0.10210727 -0.27827183 -0.00000002 -0.00000000 -0.00000006
|
||
6 0.27827183 -0.10210727 0.00000000 0.00000000 0.00000000
|
||
7 -0.00000000 -0.00000001 -0.36335779 0.27056839 1.48146200
|
||
8 0.38118849 1.03884881 0.00000004 0.00000003 0.00000018
|
||
9 -1.03884881 0.38118849 -0.00000000 -0.00000000 -0.00000000
|
||
10 0.00000001 0.00000004 1.34518123 -1.02669359 -6.70064077
|
||
11 0.16861881 0.45953499 0.00000004 -0.00000001 -0.00000002
|
||
12 -0.45953499 0.16861881 -0.00000000 0.00000000 0.00000000
|
||
13 -0.00000001 -0.00000002 -0.32029906 -1.85532447 -2.18316935
|
||
14 0.00000000 0.00000000 -0.09909457 0.03865843 -0.06899181
|
||
15 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.04687658 -0.12775223 -0.00000001 0.00000000 0.00000000
|
||
17 0.00000000 0.00000000 -0.09909457 0.03865843 -0.06899181
|
||
18 0.12775223 -0.04687658 0.00000000 0.00000000 0.00000000
|
||
19 0.00000000 0.00000001 -0.04869468 0.13964928 0.14716036
|
||
20 0.00000004 0.00000011 -1.10589902 1.61440053 -0.09152003
|
||
21 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.44972773 1.22563806 0.00000008 -0.00000000 -0.00000000
|
||
23 0.00000004 0.00000010 -1.10589902 1.61440053 -0.09152003
|
||
24 -1.22563806 0.44972773 -0.00000000 0.00000000 0.00000000
|
||
25 0.00000002 0.00000006 -1.39608830 0.28714503 -3.67397298
|
||
26 -0.14799504 -0.40332925 -0.00000002 -0.00000001 -0.00000009
|
||
27 0.18037432 -0.06618539 0.00000000 0.00000000 0.00000000
|
||
28 -0.00000000 -0.00000001 -0.26717554 0.17565938 0.87709593
|
||
29 -0.06618539 -0.18037432 -0.00000001 -0.00000000 -0.00000004
|
||
30 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.06026548 -0.16424085 -0.00000001 0.00000000 -0.00000004
|
||
32 0.40332925 -0.14799504 0.00000000 0.00000000 0.00000000
|
||
33 -0.00000000 -0.00000000 -0.26717554 0.17565938 0.87709593
|
||
34 0.16424085 -0.06026548 0.00000000 0.00000000 0.00000000
|
||
35 -0.00000000 -0.00000001 -0.46854587 0.35848845 1.78955365
|
||
36 0.00000003 0.00000008 -1.04117989 -0.94725313 0.46140280
|
||
37 0.00000000 0.00000000 0.30833805 -0.19841891 0.78747150
|
||
38 -0.00000011 -0.00000028 3.65533064 6.87509825 1.23800956
|
||
39 0.00000001 0.00000002 -0.27015867 -0.60519988 0.30690626
|
||
40 0.10210727 0.27827183 0.00000002 -0.00000000 -0.00000006
|
||
41 -0.27827183 0.10210727 -0.00000000 0.00000000 0.00000000
|
||
42 0.00000000 0.00000001 0.36335779 0.27056839 1.48146200
|
||
43 -0.38118849 -1.03884881 -0.00000004 0.00000003 0.00000018
|
||
44 1.03884881 -0.38118849 0.00000000 -0.00000000 -0.00000000
|
||
45 -0.00000001 -0.00000004 -1.34518123 -1.02669359 -6.70064077
|
||
46 -0.16861881 -0.45953499 -0.00000004 -0.00000001 -0.00000002
|
||
47 0.45953499 -0.16861881 0.00000000 0.00000000 0.00000000
|
||
48 0.00000001 0.00000002 0.32029906 -1.85532447 -2.18316935
|
||
49 0.00000000 0.00000000 -0.09909457 -0.03865843 0.06899181
|
||
50 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.04687658 -0.12775223 -0.00000001 -0.00000000 -0.00000000
|
||
52 0.00000000 0.00000000 -0.09909457 -0.03865843 0.06899181
|
||
53 0.12775223 -0.04687658 0.00000000 0.00000000 0.00000000
|
||
54 0.00000000 0.00000001 -0.04869468 -0.13964928 -0.14716036
|
||
55 0.00000004 0.00000011 -1.10589902 -1.61440053 0.09152003
|
||
56 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.44972773 1.22563806 0.00000008 0.00000000 0.00000000
|
||
58 0.00000004 0.00000010 -1.10589902 -1.61440053 0.09152003
|
||
59 -1.22563806 0.44972773 -0.00000000 0.00000000 0.00000000
|
||
60 0.00000002 0.00000006 -1.39608830 -0.28714503 3.67397298
|
||
61 0.14799504 0.40332925 0.00000002 -0.00000001 -0.00000009
|
||
62 -0.18037432 0.06618539 -0.00000000 0.00000000 0.00000000
|
||
63 0.00000000 0.00000001 0.26717554 0.17565938 0.87709593
|
||
64 0.06618539 0.18037432 0.00000001 -0.00000000 -0.00000004
|
||
65 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.06026548 0.16424085 0.00000001 0.00000000 -0.00000004
|
||
67 -0.40332925 0.14799504 -0.00000000 0.00000000 0.00000000
|
||
68 0.00000000 0.00000000 0.26717554 0.17565938 0.87709593
|
||
69 -0.16424085 0.06026548 0.00000000 0.00000000 0.00000000
|
||
70 0.00000000 0.00000001 0.46854587 0.35848845 1.78955365
|
||
31 32 33 34 35
|
||
1 0.45897070 -0.00000000 -0.00000004 -0.00000000 -0.00000007
|
||
2 -0.43560600 0.00000000 0.00000004 0.00000000 0.00000003
|
||
3 0.04774820 0.00000000 0.00000003 0.00000000 0.00000001
|
||
4 -0.20225541 0.00000000 0.00000002 0.00000000 0.00000002
|
||
5 -0.00000017 -0.03257908 -2.83554888 -0.14091452 -3.22585449
|
||
6 0.00000000 2.83554888 -0.03257908 3.22585449 -0.14091452
|
||
7 -3.07574627 -0.00000000 -0.00000007 0.00000001 0.00000017
|
||
8 0.00000054 0.10105061 8.79502804 0.44485848 10.18382469
|
||
9 -0.00000001 -8.79502804 0.10105061 -10.18382469 0.44485848
|
||
10 9.42723345 0.00000001 0.00000027 -0.00000003 -0.00000051
|
||
11 -0.00000006 -0.00952005 -0.82858573 -0.05145404 -1.17790023
|
||
12 0.00000000 0.82858573 -0.00952005 1.17790023 -0.05145404
|
||
13 -0.97376832 0.00000000 0.00000003 0.00000000 0.00000005
|
||
14 0.05317070 0.00000000 0.00000001 0.00000000 0.00000000
|
||
15 0.00000000 -0.00000000 0.00000000 -0.00000001 0.00000000
|
||
16 0.00000000 -0.00028949 -0.02519620 -0.00034849 -0.00797778
|
||
17 0.05317070 0.00000000 -0.00000000 -0.00000000 -0.00000000
|
||
18 0.00000000 0.02519620 -0.00028949 0.00797778 -0.00034849
|
||
19 -0.13194097 -0.00000000 -0.00000000 0.00000000 0.00000001
|
||
20 -0.09300411 0.00000000 0.00000001 0.00000000 0.00000001
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.00000001 -0.00028163 -0.02451167 0.00605156 0.13853391
|
||
23 -0.09300411 0.00000000 0.00000001 0.00000000 0.00000001
|
||
24 -0.00000000 0.02451167 -0.00028163 -0.13853391 0.00605156
|
||
25 0.22442101 0.00000000 0.00000009 -0.00000000 -0.00000001
|
||
26 -0.00000026 -0.04849605 -4.22089565 -0.20908235 -4.78637171
|
||
27 0.00000000 1.88764192 -0.02168809 2.14053050 -0.09350447
|
||
28 -1.98193404 -0.00000000 -0.00000004 0.00000001 0.00000011
|
||
29 -0.00000011 -0.02168809 -1.88764192 -0.09350447 -2.14053050
|
||
30 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
31 -0.00000012 -0.02270445 -1.97610149 -0.09297996 -2.12852325
|
||
32 0.00000000 4.22089565 -0.04849605 4.78637171 -0.20908235
|
||
33 -1.98193404 -0.00000000 -0.00000004 0.00000001 0.00000011
|
||
34 0.00000000 1.97610149 -0.02270445 2.12852325 -0.09297996
|
||
35 -4.63311336 -0.00000000 -0.00000009 0.00000001 0.00000025
|
||
36 0.45897070 0.00000000 0.00000004 -0.00000000 -0.00000007
|
||
37 -0.43560600 -0.00000000 -0.00000004 0.00000000 0.00000003
|
||
38 0.04774820 -0.00000000 -0.00000003 0.00000000 0.00000001
|
||
39 -0.20225541 -0.00000000 -0.00000002 0.00000000 0.00000002
|
||
40 0.00000017 -0.03257908 -2.83554888 0.14091452 3.22585449
|
||
41 -0.00000000 2.83554888 -0.03257908 -3.22585449 0.14091452
|
||
42 3.07574627 -0.00000000 -0.00000007 -0.00000001 -0.00000017
|
||
43 -0.00000054 0.10105061 8.79502804 -0.44485848 -10.18382469
|
||
44 0.00000001 -8.79502804 0.10105061 10.18382469 -0.44485848
|
||
45 -9.42723345 0.00000001 0.00000027 0.00000003 0.00000051
|
||
46 0.00000006 -0.00952005 -0.82858573 0.05145404 1.17790023
|
||
47 -0.00000000 0.82858573 -0.00952005 -1.17790023 0.05145404
|
||
48 0.97376832 0.00000000 0.00000003 -0.00000000 -0.00000005
|
||
49 0.05317070 0.00000000 -0.00000001 0.00000000 0.00000000
|
||
50 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
51 0.00000000 0.00028949 0.02519620 -0.00034849 -0.00797778
|
||
52 0.05317070 -0.00000000 0.00000000 -0.00000000 -0.00000000
|
||
53 0.00000000 -0.02519620 0.00028949 0.00797778 -0.00034849
|
||
54 -0.13194097 0.00000000 0.00000000 0.00000000 0.00000001
|
||
55 -0.09300411 -0.00000000 -0.00000001 0.00000000 0.00000001
|
||
56 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.00000001 0.00028163 0.02451167 0.00605156 0.13853391
|
||
58 -0.09300411 -0.00000000 -0.00000001 0.00000000 0.00000001
|
||
59 -0.00000000 -0.02451167 0.00028163 -0.13853391 0.00605156
|
||
60 0.22442101 -0.00000000 -0.00000009 -0.00000000 -0.00000001
|
||
61 0.00000026 -0.04849605 -4.22089565 0.20908235 4.78637171
|
||
62 -0.00000000 1.88764192 -0.02168809 -2.14053050 0.09350447
|
||
63 1.98193404 -0.00000000 -0.00000004 -0.00000001 -0.00000011
|
||
64 0.00000011 -0.02168809 -1.88764192 0.09350447 2.14053050
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.00000012 -0.02270445 -1.97610149 0.09297996 2.12852325
|
||
67 -0.00000000 4.22089565 -0.04849605 -4.78637171 0.20908235
|
||
68 1.98193404 -0.00000000 -0.00000004 -0.00000001 -0.00000011
|
||
69 -0.00000000 1.97610149 -0.02270445 -2.12852325 0.09297996
|
||
70 4.63311336 -0.00000000 -0.00000009 -0.00000001 -0.00000025
|
||
36 37 38 39 40
|
||
1 -0.69700500 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
2 1.14326440 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
3 0.08301157 0.00000000 0.00000000 -0.00000002 0.00000005
|
||
4 -0.28804271 0.00000000 0.00000000 -0.00000000 0.00000001
|
||
5 0.00000002 -0.00000000 0.00000000 0.04665634 -0.12476112
|
||
6 -0.00000000 0.00000000 -0.00000000 -0.12476112 -0.04665634
|
||
7 -5.24060614 0.00000000 0.00000000 -0.00000001 0.00000002
|
||
8 -0.00000006 0.00000002 -0.00000000 -0.07769491 0.20775964
|
||
9 0.00000000 0.00000000 0.00000002 0.20775964 0.07769491
|
||
10 18.23477439 0.00000000 0.00000000 0.00000003 -0.00000008
|
||
11 0.00000001 -0.00000001 0.00000000 -0.01307946 0.03497506
|
||
12 -0.00000000 -0.00000000 -0.00000001 0.03497506 0.01307946
|
||
13 -1.18781780 0.00000000 0.00000000 -0.00000002 0.00000004
|
||
14 -0.01946704 -0.01377070 0.00005388 -0.00000000 0.00000001
|
||
15 0.00000000 -0.00006222 -0.01590104 0.00000000 0.00000000
|
||
16 0.00000001 0.00000000 0.00000000 -0.06049128 0.16175637
|
||
17 -0.01946704 0.01377070 -0.00005388 0.00000000 -0.00000000
|
||
18 0.00000000 0.00000000 0.00000000 0.16175637 0.06049128
|
||
19 -0.01716231 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
20 0.14857157 0.07808361 -0.00030552 0.00000000 -0.00000001
|
||
21 0.00000000 0.00035279 0.09016319 -0.00000000 -0.00000000
|
||
22 0.00000000 -0.00000001 0.00000000 0.04655189 -0.12448180
|
||
23 0.14857157 -0.07808361 0.00030552 0.00000000 -0.00000001
|
||
24 0.00000000 -0.00000000 -0.00000001 -0.12448180 -0.04655189
|
||
25 2.12931316 0.00000000 0.00000000 -0.00000001 0.00000002
|
||
26 0.00000002 -0.00000001 0.00000000 0.18893237 -0.50521353
|
||
27 -0.00000000 0.00000000 -0.00000001 -0.22593836 -0.08449313
|
||
28 -3.28795304 -0.57004352 0.00223044 -0.00000001 0.00000002
|
||
29 0.00000001 0.00000001 0.00000000 0.08449313 -0.22593836
|
||
30 0.00000000 -0.00257549 -0.65822956 0.00000000 0.00000000
|
||
31 0.00000002 -0.00000000 0.00000000 -0.20925427 0.55955519
|
||
32 -0.00000000 -0.00000000 -0.00000000 -0.50521353 -0.18893237
|
||
33 -3.28795304 0.57004352 -0.00223044 -0.00000001 0.00000001
|
||
34 -0.00000000 0.00000000 -0.00000000 0.55955519 0.20925427
|
||
35 -7.78722446 0.00000000 0.00000000 -0.00000002 0.00000004
|
||
36 0.69700500 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
37 -1.14326440 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
38 -0.08301157 0.00000000 0.00000000 0.00000002 -0.00000005
|
||
39 0.28804271 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
40 0.00000002 0.00000000 0.00000000 0.04665634 -0.12476112
|
||
41 -0.00000000 0.00000000 0.00000000 -0.12476112 -0.04665634
|
||
42 -5.24060614 0.00000000 0.00000000 -0.00000001 0.00000002
|
||
43 -0.00000006 -0.00000002 0.00000000 -0.07769491 0.20775964
|
||
44 0.00000000 -0.00000000 -0.00000002 0.20775964 0.07769491
|
||
45 18.23477439 0.00000000 0.00000000 0.00000003 -0.00000008
|
||
46 0.00000001 0.00000001 -0.00000000 -0.01307946 0.03497506
|
||
47 -0.00000000 0.00000000 0.00000001 0.03497506 0.01307946
|
||
48 -1.18781780 0.00000000 0.00000000 -0.00000002 0.00000004
|
||
49 0.01946704 -0.01377070 0.00005388 0.00000000 -0.00000001
|
||
50 0.00000000 -0.00006222 -0.01590104 -0.00000000 -0.00000000
|
||
51 -0.00000001 0.00000000 0.00000000 0.06049128 -0.16175637
|
||
52 0.01946704 0.01377070 -0.00005388 0.00000000 0.00000000
|
||
53 0.00000000 0.00000000 0.00000000 -0.16175637 -0.06049128
|
||
54 0.01716231 0.00000000 0.00000000 -0.00000000 0.00000001
|
||
55 -0.14857157 0.07808361 -0.00030552 -0.00000000 0.00000001
|
||
56 0.00000000 0.00035279 0.09016319 0.00000000 0.00000000
|
||
57 -0.00000000 -0.00000001 0.00000000 -0.04655189 0.12448180
|
||
58 -0.14857157 -0.07808361 0.00030552 -0.00000000 0.00000001
|
||
59 0.00000000 -0.00000000 -0.00000001 0.12448180 0.04655189
|
||
60 -2.12931316 0.00000000 0.00000000 0.00000001 -0.00000002
|
||
61 0.00000002 0.00000001 0.00000000 0.18893237 -0.50521353
|
||
62 -0.00000000 0.00000000 0.00000001 -0.22593836 -0.08449313
|
||
63 -3.28795304 0.57004352 -0.00223044 -0.00000001 0.00000002
|
||
64 0.00000001 -0.00000001 -0.00000000 0.08449313 -0.22593836
|
||
65 0.00000000 0.00257549 0.65822956 0.00000000 0.00000000
|
||
66 0.00000002 0.00000000 0.00000000 -0.20925427 0.55955519
|
||
67 -0.00000000 0.00000000 0.00000000 -0.50521353 -0.18893237
|
||
68 -3.28795304 -0.57004352 0.00223044 -0.00000001 0.00000001
|
||
69 -0.00000000 0.00000000 0.00000000 0.55955519 0.20925427
|
||
70 -7.78722446 0.00000000 0.00000000 -0.00000002 0.00000004
|
||
41 42 43 44 45
|
||
1 0.00000000 0.00000000 0.00000000 0.00000000 -2.01219172
|
||
2 0.00000000 0.00000000 0.00000000 0.00000000 0.32594056
|
||
3 0.00000000 0.00000000 0.00000000 0.00000000 1.40148011
|
||
4 0.00000000 0.00000000 0.00000000 0.00000000 0.48993405
|
||
5 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
7 0.00000000 0.00000000 0.00000000 0.00000000 -1.49704939
|
||
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
9 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
10 0.00000000 0.00000000 0.00000000 0.00000000 4.47843595
|
||
11 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.41997720
|
||
14 0.00000000 -0.00000001 -0.00000001 0.00000000 -0.16640417
|
||
15 -0.00000001 0.00000000 -0.00000000 0.00000001 0.00000000
|
||
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
17 0.00000000 0.00000001 0.00000001 0.00000000 -0.16640417
|
||
18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
19 0.00000000 0.00000000 0.00000000 0.00000000 0.39154227
|
||
20 0.00000000 0.00000001 0.00000001 0.00000000 -0.02162971
|
||
21 0.00000001 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
22 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000002
|
||
23 0.00000000 -0.00000001 -0.00000001 0.00000000 -0.02162971
|
||
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.14330918
|
||
26 0.00586578 0.55144212 0.56687825 -0.00090324 -0.00000000
|
||
27 0.73983724 -0.00786977 -0.00121183 -0.76054698 0.00000000
|
||
28 0.00000000 0.00000000 -0.00000001 0.00000000 -1.34266133
|
||
29 -0.00786977 -0.73983724 -0.76054698 0.00121183 -0.00000000
|
||
30 0.00000000 0.00000000 -0.00000000 0.00000001 0.00000000
|
||
31 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
32 -0.55144212 0.00586578 0.00090324 0.56687825 0.00000000
|
||
33 0.00000000 -0.00000000 0.00000001 0.00000000 -1.34266133
|
||
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
35 0.00000000 0.00000000 0.00000000 0.00000000 -1.64664736
|
||
36 0.00000000 0.00000000 0.00000000 0.00000000 -2.01219172
|
||
37 0.00000000 0.00000000 0.00000000 0.00000000 0.32594056
|
||
38 0.00000000 0.00000000 0.00000000 0.00000000 1.40148011
|
||
39 0.00000000 0.00000000 0.00000000 0.00000000 0.48993405
|
||
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
42 0.00000000 0.00000000 0.00000000 0.00000000 1.49704939
|
||
43 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
45 0.00000000 0.00000000 0.00000000 0.00000000 -4.47843595
|
||
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
47 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
48 0.00000000 0.00000000 0.00000000 0.00000000 0.41997720
|
||
49 0.00000000 0.00000001 -0.00000001 0.00000000 -0.16640417
|
||
50 0.00000001 0.00000000 -0.00000000 0.00000001 0.00000000
|
||
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
52 0.00000000 -0.00000001 0.00000001 0.00000000 -0.16640417
|
||
53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
54 0.00000000 0.00000000 0.00000000 0.00000000 0.39154227
|
||
55 0.00000000 -0.00000001 0.00000001 0.00000000 -0.02162971
|
||
56 -0.00000001 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000002
|
||
58 0.00000000 0.00000001 -0.00000001 0.00000000 -0.02162971
|
||
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.14330918
|
||
61 0.00586578 0.55144212 -0.56687825 0.00090324 0.00000000
|
||
62 0.73983724 -0.00786977 0.00121183 0.76054698 0.00000000
|
||
63 0.00000000 0.00000000 0.00000001 0.00000000 1.34266133
|
||
64 -0.00786977 -0.73983724 0.76054698 -0.00121183 0.00000000
|
||
65 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
67 -0.55144212 0.00586578 -0.00090324 -0.56687825 0.00000000
|
||
68 0.00000000 -0.00000000 -0.00000001 0.00000000 1.34266133
|
||
69 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
70 0.00000000 0.00000000 0.00000000 0.00000000 1.64664736
|
||
46 47 48 49 50
|
||
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
5 -0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
6 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000002
|
||
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
8 0.00000001 -0.00000000 0.00000000 -0.00000001 0.00000000
|
||
9 0.00000000 0.00000001 -0.00000001 0.00000000 -0.00000007
|
||
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
11 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
12 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000001
|
||
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
14 -0.06572620 -0.00013658 0.00632500 0.74346934 0.00510202
|
||
15 0.00015771 -0.07589408 0.85848445 -0.00730348 0.87734611
|
||
16 0.00000001 -0.00000000 0.00000000 0.00000001 -0.00000000
|
||
17 0.06572620 0.00013658 -0.00632500 -0.74346934 -0.00510202
|
||
18 0.00000000 0.00000001 0.00000001 0.00000000 0.00000003
|
||
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
20 -0.08930562 -0.00018558 -0.00283181 -0.33286405 -0.00294873
|
||
21 0.00021429 -0.10312125 -0.38435830 0.00326990 -0.50706537
|
||
22 -0.00000001 0.00000000 0.00000000 0.00000001 0.00000000
|
||
23 0.08930562 0.00018558 0.00283181 0.33286405 0.00294873
|
||
24 0.00000000 -0.00000001 0.00000001 0.00000000 -0.00000002
|
||
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
26 -0.00000001 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
27 0.00000000 -0.00000000 0.00000001 -0.00000000 0.00000003
|
||
28 -0.67476121 -0.00140220 0.00008357 0.00982363 -0.00070776
|
||
29 -0.00000000 0.00000000 -0.00000000 -0.00000001 -0.00000000
|
||
30 0.00161912 -0.77914713 0.01134335 -0.00009650 -0.12170728
|
||
31 -0.00000000 0.00000000 -0.00000000 0.00000003 0.00000000
|
||
32 0.00000000 -0.00000001 -0.00000001 0.00000000 0.00000004
|
||
33 0.67476121 0.00140220 -0.00008357 -0.00982363 0.00070776
|
||
34 0.00000000 -0.00000000 0.00000003 0.00000000 0.00000001
|
||
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
40 -0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000000
|
||
41 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000002
|
||
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
43 0.00000001 -0.00000000 0.00000000 0.00000001 0.00000000
|
||
44 0.00000000 0.00000001 0.00000001 0.00000000 -0.00000007
|
||
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
46 -0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
47 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000001
|
||
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
49 0.06572620 0.00013658 0.00632500 0.74346934 -0.00510202
|
||
50 -0.00015771 0.07589408 0.85848445 -0.00730348 -0.87734611
|
||
51 -0.00000001 0.00000000 0.00000000 0.00000001 0.00000000
|
||
52 -0.06572620 -0.00013658 -0.00632500 -0.74346934 0.00510202
|
||
53 -0.00000000 -0.00000001 0.00000001 0.00000000 -0.00000003
|
||
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
55 0.08930562 0.00018558 -0.00283181 -0.33286405 0.00294873
|
||
56 -0.00021429 0.10312125 -0.38435830 0.00326990 0.50706537
|
||
57 0.00000001 0.00000000 0.00000000 0.00000001 -0.00000000
|
||
58 -0.08930562 -0.00018558 0.00283181 0.33286405 -0.00294873
|
||
59 0.00000000 0.00000001 0.00000001 0.00000000 0.00000002
|
||
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
61 -0.00000001 0.00000000 -0.00000000 -0.00000000 -0.00000000
|
||
62 0.00000000 -0.00000000 -0.00000001 0.00000000 0.00000003
|
||
63 -0.67476121 -0.00140220 -0.00008357 -0.00982363 -0.00070776
|
||
64 -0.00000000 0.00000000 0.00000000 0.00000001 -0.00000000
|
||
65 0.00161912 -0.77914713 -0.01134335 0.00009650 -0.12170728
|
||
66 -0.00000000 0.00000000 0.00000000 -0.00000003 0.00000000
|
||
67 0.00000000 -0.00000001 0.00000001 -0.00000000 0.00000004
|
||
68 0.67476121 0.00140220 0.00008357 0.00982363 0.00070776
|
||
69 0.00000000 -0.00000000 -0.00000003 -0.00000000 0.00000001
|
||
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 52 53 54 55
|
||
1 0.00000000 0.00000000 -0.00000000 0.00000002 0.00000010
|
||
2 0.00000000 -0.00000003 0.00000002 -0.00000000 -0.00000001
|
||
3 0.00000000 -0.00000005 0.00000003 -0.00000001 -0.00000008
|
||
4 0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000003
|
||
5 -0.00000002 0.00455453 -0.00305085 0.11491631 0.85359440
|
||
6 -0.00000000 0.00305085 0.00455453 -0.85359440 0.11491631
|
||
7 0.00000000 0.00000005 -0.00000004 0.00000000 0.00000001
|
||
8 0.00000007 0.00367253 -0.00246004 -0.44369360 -3.29574090
|
||
9 0.00000000 0.00246004 0.00367253 3.29574090 -0.44369360
|
||
10 0.00000000 -0.00000019 0.00000013 -0.00000000 -0.00000001
|
||
11 -0.00000001 -0.00299918 0.00200900 0.02185674 0.16235110
|
||
12 0.00000000 -0.00200900 -0.00299918 -0.16235110 0.02185674
|
||
13 0.00000000 -0.00000004 0.00000003 -0.00000000 -0.00000001
|
||
14 -0.75980402 0.00000002 -0.00000001 0.00000000 0.00000000
|
||
15 0.00589131 0.00000002 0.00000003 -0.00000002 0.00000000
|
||
16 -0.00000003 -0.72516852 0.48575427 -0.04220290 -0.31348167
|
||
17 0.75980402 -0.00000003 0.00000002 -0.00000000 -0.00000003
|
||
18 -0.00000000 -0.48575427 -0.72516852 0.31348167 -0.04220290
|
||
19 0.00000000 0.00000001 -0.00000001 0.00000000 0.00000002
|
||
20 0.43913149 -0.00000001 0.00000001 0.00000000 0.00000001
|
||
21 -0.00340490 -0.00000001 -0.00000002 0.00000001 -0.00000000
|
||
22 0.00000002 0.34026719 -0.22792804 -0.06497145 -0.48260568
|
||
23 -0.43913149 0.00000002 -0.00000001 0.00000000 0.00000003
|
||
24 0.00000000 0.22792804 0.34026719 0.48260568 -0.06497145
|
||
25 0.00000000 -0.00000009 0.00000006 -0.00000000 -0.00000001
|
||
26 -0.00000005 -0.13518893 0.09055633 0.26974048 2.00362306
|
||
27 0.00000000 -0.04049802 -0.06045833 -0.89604747 0.12063161
|
||
28 0.10540160 0.00000003 -0.00000002 0.00000000 0.00000001
|
||
29 -0.00000002 -0.06045833 0.04049802 0.12063161 0.89604747
|
||
30 -0.00081725 -0.00000001 -0.00000001 0.00000000 -0.00000000
|
||
31 -0.00000001 0.13607919 -0.09115267 -0.04592028 -0.34109429
|
||
32 -0.00000000 -0.09055633 -0.13518893 -2.00362306 0.26974048
|
||
33 -0.10540160 0.00000005 -0.00000003 0.00000000 0.00000001
|
||
34 0.00000000 0.09115267 0.13607919 0.34109429 -0.04592028
|
||
35 0.00000000 0.00000004 -0.00000002 0.00000000 0.00000000
|
||
36 0.00000000 -0.00000000 0.00000000 0.00000002 0.00000010
|
||
37 0.00000000 0.00000003 -0.00000002 -0.00000000 -0.00000001
|
||
38 0.00000000 0.00000005 -0.00000003 -0.00000001 -0.00000008
|
||
39 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000003
|
||
40 -0.00000002 0.00455453 -0.00305085 -0.11491631 -0.85359440
|
||
41 -0.00000000 0.00305085 0.00455453 0.85359440 -0.11491631
|
||
42 0.00000000 0.00000005 -0.00000004 -0.00000000 -0.00000001
|
||
43 0.00000007 0.00367253 -0.00246004 0.44369360 3.29574090
|
||
44 0.00000000 0.00246004 0.00367253 -3.29574090 0.44369360
|
||
45 0.00000000 -0.00000019 0.00000013 0.00000000 0.00000001
|
||
46 -0.00000001 -0.00299918 0.00200900 -0.02185674 -0.16235110
|
||
47 0.00000000 -0.00200900 -0.00299918 0.16235110 -0.02185674
|
||
48 0.00000000 -0.00000004 0.00000003 0.00000000 0.00000001
|
||
49 0.75980402 -0.00000002 0.00000001 0.00000000 0.00000000
|
||
50 -0.00589131 -0.00000002 -0.00000003 -0.00000002 0.00000000
|
||
51 0.00000003 0.72516852 -0.48575427 -0.04220290 -0.31348167
|
||
52 -0.75980402 0.00000003 -0.00000002 -0.00000000 -0.00000003
|
||
53 0.00000000 0.48575427 0.72516852 0.31348167 -0.04220290
|
||
54 0.00000000 -0.00000001 0.00000001 0.00000000 0.00000002
|
||
55 -0.43913149 0.00000001 -0.00000001 0.00000000 0.00000001
|
||
56 0.00340490 0.00000001 0.00000002 0.00000001 -0.00000000
|
||
57 -0.00000002 -0.34026719 0.22792804 -0.06497145 -0.48260568
|
||
58 0.43913149 -0.00000002 0.00000001 0.00000000 0.00000003
|
||
59 -0.00000000 -0.22792804 -0.34026719 0.48260568 -0.06497145
|
||
60 0.00000000 0.00000009 -0.00000006 -0.00000000 -0.00000001
|
||
61 -0.00000005 -0.13518893 0.09055633 -0.26974048 -2.00362306
|
||
62 0.00000000 -0.04049802 -0.06045833 0.89604747 -0.12063161
|
||
63 0.10540160 0.00000003 -0.00000002 -0.00000000 -0.00000001
|
||
64 -0.00000002 -0.06045833 0.04049802 -0.12063161 -0.89604747
|
||
65 -0.00081725 -0.00000001 -0.00000001 -0.00000000 0.00000000
|
||
66 -0.00000001 0.13607919 -0.09115267 0.04592028 0.34109429
|
||
67 -0.00000000 -0.09055633 -0.13518893 2.00362306 -0.26974048
|
||
68 -0.10540160 0.00000005 -0.00000003 -0.00000000 -0.00000001
|
||
69 0.00000000 0.09115267 0.13607919 -0.34109429 0.04592028
|
||
70 0.00000000 0.00000004 -0.00000002 -0.00000000 -0.00000000
|
||
56 57 58 59 60
|
||
1 0.00000002 -0.00000003 -0.52574071 4.47803703 3.44576412
|
||
2 -0.00000000 0.00000000 1.30088708 -0.50421277 -2.05038447
|
||
3 -0.00000002 0.00000002 2.92259718 -3.36900152 -3.19922419
|
||
4 -0.00000000 0.00000001 0.27868687 -1.16297575 -0.71112291
|
||
5 0.20876966 -0.28678890 0.00000001 -0.00000003 0.00000005
|
||
6 0.28678890 0.20876966 -0.00000000 0.00000000 -0.00000000
|
||
7 0.00000002 -0.00000003 -2.31722789 0.86968955 4.05429396
|
||
8 -0.72869649 1.00101745 -0.00000005 0.00000010 -0.00000037
|
||
9 -1.00101745 -0.72869649 0.00000000 -0.00000000 0.00000001
|
||
10 -0.00000007 0.00000009 7.73930984 -3.27752338 -17.26000063
|
||
11 -0.18313754 0.25157782 0.00000000 -0.00000000 0.00000002
|
||
12 -0.25157782 -0.18313754 0.00000000 0.00000000 -0.00000000
|
||
13 0.00000000 -0.00000001 2.11133627 -0.05950663 -0.31687939
|
||
14 0.00000000 -0.00000000 0.29314255 -0.53131581 -0.17024737
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.50629512 -0.69550252 -0.00000002 0.00000000 0.00000000
|
||
17 0.00000000 -0.00000000 0.29314255 -0.53131581 -0.17024737
|
||
18 0.69550252 0.50629512 0.00000000 0.00000000 0.00000000
|
||
19 -0.00000000 0.00000000 -0.89539142 0.69151015 0.00874300
|
||
20 0.00000000 -0.00000000 -0.43456177 0.73777541 0.26021387
|
||
21 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 -0.64045186 0.87979495 0.00000001 0.00000002 0.00000000
|
||
23 0.00000000 -0.00000000 -0.43456177 0.73777541 0.26021387
|
||
24 -0.87979495 -0.64045186 -0.00000000 -0.00000000 0.00000000
|
||
25 -0.00000000 0.00000000 3.41657748 -0.43237909 -3.03317076
|
||
26 0.47172270 -0.64801006 0.00000003 -0.00000006 0.00000021
|
||
27 0.28979891 0.21096081 -0.00000000 0.00000000 -0.00000000
|
||
28 0.00000002 -0.00000003 -1.39279816 1.13403835 3.70069666
|
||
29 0.21096081 -0.28979891 0.00000001 -0.00000002 0.00000010
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.20708231 0.28447098 0.00000001 0.00000000 0.00000009
|
||
32 0.64801006 0.47172270 -0.00000000 0.00000000 -0.00000000
|
||
33 0.00000002 -0.00000002 -1.39279816 1.13403835 3.70069666
|
||
34 -0.28447098 -0.20708231 -0.00000000 0.00000000 -0.00000000
|
||
35 0.00000003 -0.00000004 -1.62712941 1.42020548 6.38405485
|
||
36 0.00000002 -0.00000003 0.52574071 4.47803703 -3.44576412
|
||
37 -0.00000000 0.00000000 -1.30088708 -0.50421277 2.05038447
|
||
38 -0.00000002 0.00000002 -2.92259718 -3.36900152 3.19922419
|
||
39 -0.00000000 0.00000001 -0.27868687 -1.16297575 0.71112291
|
||
40 -0.20876966 0.28678890 0.00000001 0.00000003 0.00000005
|
||
41 -0.28678890 -0.20876966 -0.00000000 -0.00000000 -0.00000000
|
||
42 -0.00000002 0.00000003 -2.31722789 -0.86968955 4.05429396
|
||
43 0.72869649 -1.00101745 -0.00000005 -0.00000010 -0.00000037
|
||
44 1.00101745 0.72869649 0.00000000 0.00000000 0.00000001
|
||
45 0.00000007 -0.00000009 7.73930984 3.27752338 -17.26000063
|
||
46 0.18313754 -0.25157782 0.00000000 0.00000000 0.00000002
|
||
47 0.25157782 0.18313754 0.00000000 0.00000000 -0.00000000
|
||
48 -0.00000000 0.00000001 2.11133627 0.05950663 -0.31687939
|
||
49 0.00000000 -0.00000000 -0.29314255 -0.53131581 0.17024737
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 0.50629512 -0.69550252 0.00000002 0.00000000 -0.00000000
|
||
52 0.00000000 -0.00000000 -0.29314255 -0.53131581 0.17024737
|
||
53 0.69550252 0.50629512 -0.00000000 0.00000000 0.00000000
|
||
54 -0.00000000 0.00000000 0.89539142 0.69151015 -0.00874300
|
||
55 0.00000000 -0.00000000 0.43456177 0.73777541 -0.26021387
|
||
56 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 -0.64045186 0.87979495 -0.00000001 0.00000002 0.00000000
|
||
58 0.00000000 -0.00000000 0.43456177 0.73777541 -0.26021387
|
||
59 -0.87979495 -0.64045186 0.00000000 -0.00000000 0.00000000
|
||
60 -0.00000000 0.00000000 -3.41657748 -0.43237909 3.03317076
|
||
61 -0.47172270 0.64801006 0.00000003 0.00000006 0.00000021
|
||
62 -0.28979891 -0.21096081 -0.00000000 -0.00000000 -0.00000000
|
||
63 -0.00000002 0.00000003 -1.39279816 -1.13403835 3.70069666
|
||
64 -0.21096081 0.28979891 0.00000001 0.00000002 0.00000010
|
||
65 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.20708231 -0.28447098 0.00000001 -0.00000000 0.00000009
|
||
67 -0.64801006 -0.47172270 -0.00000000 -0.00000000 -0.00000000
|
||
68 -0.00000002 0.00000002 -1.39279816 -1.13403835 3.70069666
|
||
69 0.28447098 0.20708231 -0.00000000 0.00000000 -0.00000000
|
||
70 -0.00000003 0.00000004 -1.62712941 -1.42020548 6.38405485
|
||
61 62 63 64 65
|
||
1 -8.35025833 0.00000008 -0.00000113 -6.23644025 0.00000001
|
||
2 0.47302500 -0.00000001 0.00000016 1.56496355 -0.00000000
|
||
3 5.92066549 -0.00000006 0.00000082 3.90319121 -0.00000001
|
||
4 2.05706686 -0.00000002 0.00000027 1.71988331 -0.00000000
|
||
5 -0.00000010 -0.05417024 0.91287088 0.00000003 0.01201320
|
||
6 0.00000000 0.91287088 0.05417024 -0.00000000 -1.04290666
|
||
7 2.81586753 -0.00000001 0.00000008 1.18275244 -0.00000000
|
||
8 0.00000069 0.36670023 -6.17959206 -0.00000018 -0.07696385
|
||
9 -0.00000001 -6.17959206 -0.36670023 0.00000000 6.68149205
|
||
10 -10.76273574 0.00000001 -0.00000018 -6.04062679 0.00000000
|
||
11 -0.00000005 -0.02497015 0.42079417 0.00000002 0.00691603
|
||
12 0.00000000 0.42079417 0.02497015 -0.00000000 -0.60040383
|
||
13 -0.07995961 0.00000000 -0.00000001 0.40303559 0.00000000
|
||
14 0.54046902 -0.00000001 0.00000007 0.29735506 -0.00000000
|
||
15 0.00000000 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
16 0.00000001 0.00118027 -0.01988970 -0.00000000 0.00034609
|
||
17 0.54046902 -0.00000001 0.00000008 0.29735506 -0.00000000
|
||
18 0.00000000 -0.01988970 -0.00118027 0.00000000 -0.03004564
|
||
19 0.23126600 -0.00000000 0.00000003 0.34262810 -0.00000000
|
||
20 -0.74017594 0.00000001 -0.00000009 -0.34267039 0.00000000
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
22 -0.00000000 -0.00145288 0.02448376 0.00000000 0.00061678
|
||
23 -0.74017594 0.00000001 -0.00000009 -0.34267039 0.00000000
|
||
24 0.00000000 0.02448376 0.00145288 0.00000000 -0.05354478
|
||
25 -3.14631914 0.00000001 -0.00000018 -0.57017934 0.00000000
|
||
26 -0.00000040 -0.20916741 3.52486617 0.00000010 0.04188021
|
||
27 0.00000000 1.57636808 0.09354251 -0.00000000 -1.62596253
|
||
28 2.12597927 -0.00000000 0.00000002 1.66889256 -0.00000000
|
||
29 -0.00000018 -0.09354251 1.57636808 0.00000004 0.01872940
|
||
30 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.00000017 -0.09016003 1.51936693 0.00000005 0.02083637
|
||
32 0.00000001 3.52486617 0.20916741 -0.00000000 -3.63576274
|
||
33 2.12597927 -0.00000000 0.00000002 1.66889256 -0.00000000
|
||
34 0.00000000 1.51936693 0.09016003 -0.00000000 -1.80887622
|
||
35 3.32275133 0.00000000 -0.00000002 3.08455297 -0.00000000
|
||
36 8.35025833 -0.00000008 0.00000113 -6.23644025 0.00000001
|
||
37 -0.47302500 0.00000001 -0.00000016 1.56496355 -0.00000000
|
||
38 -5.92066549 0.00000006 -0.00000082 3.90319121 -0.00000001
|
||
39 -2.05706686 0.00000002 -0.00000027 1.71988331 -0.00000000
|
||
40 -0.00000010 -0.05417024 0.91287088 -0.00000003 -0.01201320
|
||
41 0.00000000 0.91287088 0.05417024 0.00000000 1.04290666
|
||
42 2.81586753 -0.00000001 0.00000008 -1.18275244 0.00000000
|
||
43 0.00000069 0.36670023 -6.17959206 0.00000018 0.07696385
|
||
44 -0.00000001 -6.17959206 -0.36670023 -0.00000000 -6.68149205
|
||
45 -10.76273574 0.00000001 -0.00000018 6.04062679 -0.00000000
|
||
46 -0.00000005 -0.02497015 0.42079417 -0.00000002 -0.00691603
|
||
47 0.00000000 0.42079417 0.02497015 0.00000000 0.60040383
|
||
48 -0.07995961 0.00000000 -0.00000001 -0.40303559 0.00000000
|
||
49 -0.54046902 0.00000001 -0.00000007 0.29735506 -0.00000000
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.00000001 -0.00118027 0.01988970 -0.00000000 0.00034609
|
||
52 -0.54046902 0.00000001 -0.00000008 0.29735506 -0.00000000
|
||
53 0.00000000 0.01988970 0.00118027 0.00000000 -0.03004564
|
||
54 -0.23126600 0.00000000 -0.00000003 0.34262810 -0.00000000
|
||
55 0.74017594 -0.00000001 0.00000009 -0.34267039 0.00000000
|
||
56 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000
|
||
57 0.00000000 0.00145288 -0.02448376 0.00000000 0.00061678
|
||
58 0.74017594 -0.00000001 0.00000009 -0.34267039 0.00000000
|
||
59 0.00000000 -0.02448376 -0.00145288 0.00000000 -0.05354478
|
||
60 3.14631914 -0.00000001 0.00000018 -0.57017934 0.00000000
|
||
61 -0.00000040 -0.20916741 3.52486617 -0.00000010 -0.04188021
|
||
62 0.00000000 1.57636808 0.09354251 0.00000000 1.62596253
|
||
63 2.12597927 -0.00000000 0.00000002 -1.66889256 0.00000000
|
||
64 -0.00000018 -0.09354251 1.57636808 -0.00000004 -0.01872940
|
||
65 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000
|
||
66 -0.00000017 -0.09016003 1.51936693 -0.00000005 -0.02083637
|
||
67 0.00000001 3.52486617 0.20916741 0.00000000 3.63576274
|
||
68 2.12597927 -0.00000000 0.00000002 -1.66889256 0.00000000
|
||
69 0.00000000 1.51936693 0.09016003 0.00000000 1.80887622
|
||
70 3.32275133 0.00000000 -0.00000002 -3.08455297 0.00000000
|
||
66 67 68 69 70
|
||
1 0.00000034 6.86970009 -0.09877815 -54.68155705 -58.57709708
|
||
2 -0.00000010 -1.85720245 0.24962406 26.72245495 27.89563870
|
||
3 -0.00000022 -4.32213056 0.71609823 31.96307621 35.93388457
|
||
4 -0.00000009 -1.85233933 0.31725240 15.50374537 16.25401143
|
||
5 1.04290666 -0.00000002 0.00000000 0.00000000 0.00000000
|
||
6 0.01201320 0.00000000 0.00000000 0.00000000 0.00000000
|
||
7 -0.00000003 0.08291942 -1.52779779 0.11180438 0.64514288
|
||
8 -6.68149205 0.00000014 -0.00000000 -0.00000001 -0.00000001
|
||
9 -0.07696385 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
10 0.00000011 -2.47587773 4.10102476 -0.26696060 -2.67841551
|
||
11 0.60040383 -0.00000001 0.00000000 0.00000000 0.00000000
|
||
12 0.00691603 0.00000000 0.00000000 0.00000000 0.00000000
|
||
13 -0.00000000 0.39548378 1.35036810 -0.04881448 0.98111929
|
||
14 -0.00000001 -0.06696266 0.15841229 -3.53170745 -3.74188730
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.03004564 -0.00000000 -0.00000000 0.00000000 0.00000000
|
||
17 -0.00000000 -0.06696266 0.15841229 -3.53170745 -3.74188730
|
||
18 0.00034609 0.00000000 0.00000000 0.00000000 0.00000000
|
||
19 -0.00000002 -0.76537439 0.85694950 -3.57631799 -3.50236273
|
||
20 0.00000002 0.20838465 0.16021604 -3.27341859 -3.65339278
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.05354478 -0.00000000 0.00000000 -0.00000000 0.00000000
|
||
23 0.00000002 0.20838465 0.16021604 -3.27341859 -3.65339278
|
||
24 0.00061678 0.00000000 0.00000000 0.00000000 0.00000000
|
||
25 0.00000004 0.87263039 2.96634343 -3.35282193 -3.33087748
|
||
26 3.63576274 -0.00000007 0.00000000 0.00000000 0.00000000
|
||
27 0.01872940 0.00000000 0.00000000 0.00000000 0.00000000
|
||
28 -0.00000004 0.41288118 -0.71566173 0.16970090 0.45095065
|
||
29 1.62596253 -0.00000003 0.00000000 0.00000000 0.00000000
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 1.80887622 -0.00000004 0.00000000 0.00000000 0.00000000
|
||
32 0.04188021 0.00000000 0.00000000 0.00000000 0.00000000
|
||
33 -0.00000004 0.41288118 -0.71566173 0.16970090 0.45095065
|
||
34 0.02083637 0.00000000 0.00000000 0.00000000 0.00000000
|
||
35 -0.00000005 1.67928410 0.75521093 0.06534173 1.67547109
|
||
36 0.00000034 6.86970009 0.09877815 -54.68155705 58.57709707
|
||
37 -0.00000010 -1.85720245 -0.24962406 26.72245495 -27.89563870
|
||
38 -0.00000022 -4.32213056 -0.71609823 31.96307621 -35.93388457
|
||
39 -0.00000009 -1.85233933 -0.31725240 15.50374537 -16.25401143
|
||
40 -1.04290666 0.00000002 0.00000000 -0.00000000 0.00000000
|
||
41 -0.01201320 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
42 0.00000003 -0.08291942 -1.52779779 -0.11180438 0.64514288
|
||
43 6.68149205 -0.00000014 -0.00000000 0.00000001 -0.00000001
|
||
44 0.07696385 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
45 -0.00000011 2.47587773 4.10102476 0.26696060 -2.67841551
|
||
46 -0.60040383 0.00000001 0.00000000 -0.00000000 0.00000000
|
||
47 -0.00691603 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
48 0.00000000 -0.39548378 1.35036810 0.04881448 0.98111929
|
||
49 -0.00000001 -0.06696266 -0.15841229 -3.53170745 3.74188730
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 0.03004564 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
52 -0.00000000 -0.06696266 -0.15841229 -3.53170745 3.74188730
|
||
53 0.00034609 0.00000000 0.00000000 0.00000000 0.00000000
|
||
54 -0.00000002 -0.76537439 -0.85694950 -3.57631799 3.50236273
|
||
55 0.00000002 0.20838465 -0.16021604 -3.27341859 3.65339278
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.05354478 -0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
58 0.00000002 0.20838465 -0.16021604 -3.27341859 3.65339278
|
||
59 0.00061678 0.00000000 0.00000000 0.00000000 0.00000000
|
||
60 0.00000004 0.87263039 -2.96634343 -3.35282193 3.33087748
|
||
61 -3.63576274 0.00000007 0.00000000 -0.00000000 0.00000000
|
||
62 -0.01872940 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
63 0.00000004 -0.41288118 -0.71566173 -0.16970090 0.45095065
|
||
64 -1.62596253 0.00000003 0.00000000 -0.00000000 0.00000000
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -1.80887622 0.00000004 0.00000000 -0.00000000 0.00000000
|
||
67 -0.04188021 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
68 0.00000004 -0.41288118 -0.71566173 -0.16970090 0.45095065
|
||
69 -0.02083637 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
70 0.00000005 -1.67928410 0.75521093 -0.06534173 1.67547109
|
||
|
||
-----------------------------------------
|
||
UHF spin-down orbital coefficients
|
||
-----------------------------------------
|
||
1 2 3 4 5
|
||
1 0.57567279 -0.45177573 -0.01363695 0.20301186 -0.00000001
|
||
2 -0.01640450 -0.06490357 -0.24877925 -0.29763958 0.00000001
|
||
3 -0.35277683 0.72963298 1.89753630 2.10308166 -0.00000009
|
||
4 0.27124942 -1.80726212 -1.13357982 -2.22230117 0.00000010
|
||
5 -0.00000002 0.00000003 0.00000002 -0.00000096 -0.00385362
|
||
6 0.00000000 -0.00000000 -0.00000000 0.00000001 0.49528334
|
||
7 0.00841331 -0.05522143 0.01611922 -0.15091899 0.00000001
|
||
8 0.00000005 -0.00000012 -0.00000008 0.00000347 0.01396884
|
||
9 -0.00000000 0.00000000 0.00000000 -0.00000005 -1.79533569
|
||
10 -0.01966000 0.21530039 -0.04348702 0.55287893 -0.00000003
|
||
11 -0.00000006 0.00000007 0.00000002 -0.00000178 -0.00701729
|
||
12 0.00000000 -0.00000000 -0.00000000 0.00000003 0.90189252
|
||
13 0.03162180 -0.15032059 0.02055850 -0.37011452 0.00000002
|
||
14 0.00429198 -0.00707869 -0.01710196 -0.01316847 0.00000000
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.00000000 0.00000000 -0.00000000 -0.00000001 -0.00002928
|
||
17 0.00429198 -0.00707869 -0.01710196 -0.01316847 0.00000000
|
||
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00376262
|
||
19 0.00462537 -0.00636613 -0.01591252 -0.01281751 0.00000000
|
||
20 0.03101767 -0.07974654 -0.22044638 -0.21308707 0.00000001
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
22 -0.00000000 -0.00000001 0.00000000 0.00000002 0.00003992
|
||
23 0.03101767 -0.07974654 -0.22044638 -0.21308707 0.00000001
|
||
24 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00513111
|
||
25 0.03196539 -0.10008608 -0.20405231 -0.26200878 0.00000001
|
||
26 -0.00000002 0.00000005 0.00000003 -0.00000140 -0.00560183
|
||
27 0.00000000 -0.00000000 -0.00000000 0.00000001 0.32198097
|
||
28 0.00490391 -0.03664457 0.00586437 -0.09594221 0.00000000
|
||
29 -0.00000001 0.00000002 0.00000001 -0.00000062 -0.00250521
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.00000001 0.00000002 0.00000001 -0.00000064 -0.00255311
|
||
32 0.00000000 -0.00000000 -0.00000000 0.00000002 0.71997134
|
||
33 0.00490391 -0.03664457 0.00586437 -0.09594221 0.00000000
|
||
34 0.00000000 -0.00000000 -0.00000000 0.00000001 0.32813706
|
||
35 0.00991546 -0.09331232 0.02375315 -0.24195440 0.00000001
|
||
36 0.57567279 0.45177573 -0.01363695 -0.20301186 0.00000001
|
||
37 -0.01640450 0.06490357 -0.24877925 0.29763958 -0.00000001
|
||
38 -0.35277683 -0.72963298 1.89753630 -2.10308166 0.00000009
|
||
39 0.27124942 1.80726212 -1.13357982 2.22230117 -0.00000010
|
||
40 0.00000002 0.00000003 -0.00000002 -0.00000096 -0.00385362
|
||
41 -0.00000000 -0.00000000 0.00000000 0.00000001 0.49528334
|
||
42 -0.00841331 -0.05522143 -0.01611922 -0.15091899 0.00000001
|
||
43 -0.00000005 -0.00000012 0.00000008 0.00000347 0.01396884
|
||
44 0.00000000 0.00000000 -0.00000000 -0.00000005 -1.79533569
|
||
45 0.01966000 0.21530039 0.04348702 0.55287893 -0.00000003
|
||
46 0.00000006 0.00000007 -0.00000002 -0.00000178 -0.00701729
|
||
47 -0.00000000 -0.00000000 0.00000000 0.00000003 0.90189252
|
||
48 -0.03162180 -0.15032059 -0.02055850 -0.37011452 0.00000002
|
||
49 0.00429198 0.00707869 -0.01710196 0.01316847 -0.00000000
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
51 0.00000000 -0.00000000 -0.00000000 0.00000001 0.00002928
|
||
52 0.00429198 0.00707869 -0.01710196 0.01316847 -0.00000000
|
||
53 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00376262
|
||
54 0.00462537 0.00636613 -0.01591252 0.01281751 -0.00000000
|
||
55 0.03101767 0.07974654 -0.22044638 0.21308707 -0.00000001
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
57 -0.00000000 0.00000001 0.00000000 -0.00000002 -0.00003992
|
||
58 0.03101767 0.07974654 -0.22044638 0.21308707 -0.00000001
|
||
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00513111
|
||
60 0.03196539 0.10008608 -0.20405231 0.26200878 -0.00000001
|
||
61 0.00000002 0.00000005 -0.00000003 -0.00000140 -0.00560183
|
||
62 -0.00000000 -0.00000000 0.00000000 0.00000001 0.32198097
|
||
63 -0.00490391 -0.03664457 -0.00586437 -0.09594221 0.00000000
|
||
64 0.00000001 0.00000002 -0.00000001 -0.00000062 -0.00250521
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.00000001 0.00000002 -0.00000001 -0.00000064 -0.00255311
|
||
67 -0.00000000 -0.00000000 0.00000000 0.00000002 0.71997134
|
||
68 -0.00490391 -0.03664457 -0.00586437 -0.09594221 0.00000000
|
||
69 -0.00000000 -0.00000000 0.00000000 0.00000001 0.32813706
|
||
70 -0.00991546 -0.09331232 -0.02375315 -0.24195440 0.00000001
|
||
6 7 8 9 10
|
||
1 0.00000047 0.12648711 -0.00000000 0.00000005 0.26815186
|
||
2 -0.00000056 0.05603445 -0.00000000 0.00000004 -0.29966725
|
||
3 0.00000396 -1.00300226 0.00000000 -0.00000098 4.05776854
|
||
4 -0.00000430 0.36361648 -0.00000000 0.00000039 0.91276367
|
||
5 0.49528334 0.00000073 0.01184917 -0.64646294 0.00000002
|
||
6 0.00385362 -0.00000001 0.64646294 0.01184917 -0.00000000
|
||
7 -0.00000031 0.62790837 -0.00000000 0.00000072 0.59625616
|
||
8 -1.79533569 -0.00000267 -0.04346953 2.37159596 -0.00000008
|
||
9 -0.01396884 0.00000004 -2.37159596 -0.04346953 0.00000000
|
||
10 0.00000112 -2.25431525 0.00000001 -0.00000259 -2.24876379
|
||
11 0.90189252 0.00000171 0.02813494 -1.53497657 0.00000003
|
||
12 0.00701729 -0.00000003 1.53497657 0.02813494 -0.00000000
|
||
13 -0.00000083 1.23927059 -0.00000000 0.00000140 3.95250377
|
||
14 -0.00000002 0.00504265 0.00000000 0.00000000 0.01261713
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.00376262 -0.00000001 -0.00012852 0.00701151 0.00000000
|
||
17 -0.00000003 0.00504265 0.00000000 0.00000001 0.01261713
|
||
18 0.00002928 0.00000000 -0.00701151 -0.00012852 0.00000000
|
||
19 -0.00000002 0.00931680 0.00000000 0.00000001 -0.03513525
|
||
20 -0.00000042 0.05430277 -0.00000000 0.00000006 -0.20400301
|
||
21 0.00000000 0.00000000 -0.00000002 -0.00000000 0.00000000
|
||
22 -0.00513111 0.00000001 0.00053727 -0.02931216 -0.00000001
|
||
23 -0.00000040 0.05430277 0.00000000 0.00000003 -0.20400301
|
||
24 -0.00003992 -0.00000000 0.02931216 0.00053727 0.00000000
|
||
25 -0.00000051 0.08928285 -0.00000000 0.00000007 0.30683169
|
||
26 0.71997134 0.00000106 0.01718938 -0.93781212 0.00000003
|
||
27 0.00250521 -0.00000001 0.41940233 0.00768732 -0.00000000
|
||
28 -0.00000019 0.40377915 -0.00000000 0.00000046 0.37625439
|
||
29 0.32198097 0.00000047 0.00768732 -0.41940233 0.00000001
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.32813706 0.00000047 0.00766785 -0.41833988 0.00000002
|
||
32 0.00560183 -0.00000002 0.93781212 0.01718938 -0.00000000
|
||
33 -0.00000019 0.40377915 -0.00000000 0.00000047 0.37625439
|
||
34 0.00255311 -0.00000001 0.41833988 0.00766785 -0.00000000
|
||
35 -0.00000049 0.89784197 -0.00000000 0.00000103 0.94982747
|
||
36 -0.00000047 0.12648711 -0.00000000 0.00000005 -0.26815186
|
||
37 0.00000056 0.05603445 -0.00000000 0.00000004 0.29966725
|
||
38 -0.00000396 -1.00300226 0.00000000 -0.00000098 -4.05776854
|
||
39 0.00000430 0.36361648 -0.00000000 0.00000039 -0.91276367
|
||
40 0.49528334 -0.00000073 -0.01184917 0.64646294 0.00000002
|
||
41 0.00385362 0.00000001 -0.64646294 -0.01184917 -0.00000000
|
||
42 -0.00000031 -0.62790837 0.00000000 -0.00000072 0.59625616
|
||
43 -1.79533569 0.00000267 0.04346953 -2.37159596 -0.00000008
|
||
44 -0.01396884 -0.00000004 2.37159596 0.04346953 0.00000000
|
||
45 0.00000112 2.25431525 -0.00000001 0.00000259 -2.24876379
|
||
46 0.90189252 -0.00000171 -0.02813494 1.53497657 0.00000003
|
||
47 0.00701729 0.00000003 -1.53497657 -0.02813494 -0.00000000
|
||
48 -0.00000083 -1.23927059 0.00000000 -0.00000140 3.95250377
|
||
49 0.00000002 0.00504265 0.00000000 0.00000000 -0.01261713
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.00376262 -0.00000001 -0.00012852 0.00701151 -0.00000000
|
||
52 0.00000003 0.00504265 0.00000000 0.00000001 -0.01261713
|
||
53 -0.00002928 0.00000000 -0.00701151 -0.00012852 0.00000000
|
||
54 0.00000002 0.00931680 0.00000000 0.00000001 0.03513525
|
||
55 0.00000042 0.05430277 -0.00000000 0.00000006 0.20400301
|
||
56 0.00000000 0.00000000 -0.00000002 -0.00000000 0.00000000
|
||
57 0.00513111 0.00000001 0.00053727 -0.02931216 0.00000001
|
||
58 0.00000040 0.05430277 0.00000000 0.00000003 0.20400301
|
||
59 0.00003992 -0.00000000 0.02931216 0.00053727 -0.00000000
|
||
60 0.00000051 0.08928285 -0.00000000 0.00000007 -0.30683169
|
||
61 0.71997134 -0.00000106 -0.01718938 0.93781212 0.00000003
|
||
62 0.00250521 0.00000001 -0.41940233 -0.00768732 -0.00000000
|
||
63 -0.00000019 -0.40377915 0.00000000 -0.00000046 0.37625439
|
||
64 0.32198097 -0.00000047 -0.00768732 0.41940233 0.00000001
|
||
65 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
66 0.32813706 -0.00000047 -0.00766785 0.41833988 0.00000002
|
||
67 0.00560183 0.00000002 -0.93781212 -0.01718938 -0.00000000
|
||
68 -0.00000019 -0.40377915 0.00000000 -0.00000047 0.37625439
|
||
69 0.00255311 0.00000001 -0.41833988 -0.00766785 -0.00000000
|
||
70 -0.00000049 -0.89784197 0.00000000 -0.00000103 0.94982747
|
||
11 12 13 14 15
|
||
1 1.97563928 1.96158991 -0.00000001 0.00000012 0.52268657
|
||
2 0.95672042 1.27214285 -0.00000000 0.00000005 0.23451877
|
||
3 -4.41105092 -7.04723655 0.00000001 -0.00000017 -1.24502773
|
||
4 0.27945185 0.91811991 -0.00000000 0.00000003 0.11216369
|
||
5 -0.00000003 0.00000004 0.04065629 -1.41384520 0.00000018
|
||
6 0.00000000 -0.00000000 -1.41384520 -0.04065629 -0.00000000
|
||
7 -0.25132652 0.08993954 -0.00000000 0.00000003 1.48499574
|
||
8 0.00000009 -0.00000019 -0.15348367 5.33748009 -0.00000070
|
||
9 -0.00000000 0.00000000 5.33748009 0.15348367 0.00000001
|
||
10 0.95685477 -0.31913743 0.00000000 -0.00000010 -5.57721370
|
||
11 -0.00000004 0.00000003 0.02786456 -0.96900563 0.00000018
|
||
12 0.00000000 -0.00000000 -0.96900563 -0.02786456 -0.00000000
|
||
13 -0.26629951 -1.24998357 -0.00000000 0.00000005 1.23803839
|
||
14 0.04387262 0.02775403 0.00000000 0.00000000 0.00722097
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.00000000 0.00000000 0.00085519 -0.02973965 -0.00000000
|
||
17 0.04387262 0.02775403 0.00000000 0.00000000 0.00722097
|
||
18 0.00000000 0.00000000 -0.02973965 -0.00085519 0.00000000
|
||
19 0.04265965 0.05121691 0.00000000 0.00000000 0.01645628
|
||
20 0.72119345 0.82443678 -0.00000000 -0.00000001 0.13569478
|
||
21 0.00000000 0.00000000 -0.00000002 -0.00000000 0.00000000
|
||
22 0.00000001 -0.00000001 -0.00542880 0.18878963 0.00000003
|
||
23 0.72119345 0.82443678 -0.00000000 0.00000003 0.13569478
|
||
24 0.00000000 0.00000000 0.18878963 0.00542880 -0.00000000
|
||
25 0.68125608 0.66537340 -0.00000000 0.00000004 0.20394110
|
||
26 -0.00000004 0.00000007 0.05987137 -2.08206039 0.00000027
|
||
27 0.00000000 -0.00000000 -0.93112571 -0.02677529 -0.00000000
|
||
28 -0.15404263 0.06157358 -0.00000000 0.00000002 0.96999616
|
||
29 -0.00000002 0.00000003 0.02677529 -0.93112571 0.00000012
|
||
30 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
31 -0.00000002 0.00000003 0.02747081 -0.95531259 0.00000012
|
||
32 0.00000000 -0.00000000 -2.08206039 -0.05987137 -0.00000000
|
||
33 -0.15404263 0.06157358 -0.00000000 0.00000002 0.96999616
|
||
34 0.00000000 -0.00000000 -0.95531259 -0.02747081 -0.00000000
|
||
35 -0.37545543 0.15802934 -0.00000000 0.00000004 2.16179819
|
||
36 1.97563928 -1.96158991 0.00000001 -0.00000012 0.52268657
|
||
37 0.95672042 -1.27214285 0.00000000 -0.00000005 0.23451877
|
||
38 -4.41105092 7.04723655 -0.00000001 0.00000017 -1.24502773
|
||
39 0.27945185 -0.91811991 0.00000000 -0.00000003 0.11216369
|
||
40 0.00000003 0.00000004 0.04065629 -1.41384520 -0.00000018
|
||
41 -0.00000000 -0.00000000 -1.41384520 -0.04065629 0.00000000
|
||
42 0.25132652 0.08993954 -0.00000000 0.00000003 -1.48499574
|
||
43 -0.00000009 -0.00000019 -0.15348367 5.33748009 0.00000070
|
||
44 0.00000000 0.00000000 5.33748009 0.15348367 -0.00000001
|
||
45 -0.95685477 -0.31913743 0.00000000 -0.00000010 5.57721370
|
||
46 0.00000004 0.00000003 0.02786456 -0.96900563 -0.00000018
|
||
47 -0.00000000 -0.00000000 -0.96900563 -0.02786456 0.00000000
|
||
48 0.26629951 -1.24998357 -0.00000000 0.00000005 -1.23803839
|
||
49 0.04387262 -0.02775403 0.00000000 -0.00000000 0.00722097
|
||
50 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
51 -0.00000000 -0.00000000 -0.00085519 0.02973965 -0.00000000
|
||
52 0.04387262 -0.02775403 0.00000000 -0.00000000 0.00722097
|
||
53 0.00000000 0.00000000 0.02973965 0.00085519 0.00000000
|
||
54 0.04265965 -0.05121691 0.00000000 -0.00000000 0.01645628
|
||
55 0.72119345 -0.82443678 0.00000000 0.00000001 0.13569478
|
||
56 0.00000000 0.00000000 0.00000002 0.00000000 0.00000000
|
||
57 0.00000001 0.00000001 0.00542880 -0.18878963 0.00000003
|
||
58 0.72119345 -0.82443678 0.00000000 -0.00000003 0.13569478
|
||
59 0.00000000 -0.00000000 -0.18878963 -0.00542880 -0.00000000
|
||
60 0.68125608 -0.66537340 0.00000000 -0.00000004 0.20394110
|
||
61 0.00000004 0.00000007 0.05987137 -2.08206039 -0.00000027
|
||
62 -0.00000000 -0.00000000 -0.93112571 -0.02677529 0.00000000
|
||
63 0.15404263 0.06157358 -0.00000000 0.00000002 -0.96999616
|
||
64 0.00000002 0.00000003 0.02677529 -0.93112571 -0.00000012
|
||
65 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
66 0.00000002 0.00000003 0.02747081 -0.95531259 -0.00000012
|
||
67 -0.00000000 -0.00000000 -2.08206039 -0.05987137 0.00000000
|
||
68 0.15404263 0.06157358 -0.00000000 0.00000002 -0.96999616
|
||
69 -0.00000000 -0.00000000 -0.95531259 -0.02747081 0.00000000
|
||
70 0.37545543 0.15802934 -0.00000000 0.00000004 -2.16179819
|
||
16 17 18 19 20
|
||
1 0.00000000 0.00000000 0.00000000 0.00000008 0.00000000
|
||
2 0.00000000 0.00000000 0.00000000 0.00000002 -0.00000000
|
||
3 0.00000000 0.00000000 -0.00000000 -0.00000008 0.00000000
|
||
4 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
5 0.00000036 0.00000001 0.00852146 -1.70031387 0.01539632
|
||
6 0.00000001 -0.00000036 1.70031387 0.00852146 0.69642780
|
||
7 0.00000000 0.00000000 0.00000000 0.00000017 0.00000000
|
||
8 -0.00000137 -0.00000002 -0.03241971 6.46880899 -0.05780676
|
||
9 -0.00000002 0.00000137 -6.46880899 -0.03241971 -2.61479573
|
||
10 0.00000000 0.00000000 -0.00000001 -0.00000066 -0.00000000
|
||
11 0.00000033 0.00000001 0.00750938 -1.49837088 0.00785631
|
||
12 0.00000001 -0.00000033 1.49837088 0.00750938 0.35536766
|
||
13 0.00000000 0.00000000 0.00000000 0.00000015 0.00000000
|
||
14 -0.08681096 -0.00018541 0.00000000 -0.00000002 -0.00000000
|
||
15 -0.00021410 0.10024066 0.00000002 0.00000000 -0.00000001
|
||
16 -0.00000000 0.00000000 -0.00008914 0.01778605 -0.00189592
|
||
17 0.08681096 0.00018541 -0.00000000 0.00000002 0.00000000
|
||
18 0.00000000 0.00000000 -0.01778605 -0.00008914 -0.08575871
|
||
19 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
20 0.60498382 0.00129215 -0.00000000 0.00000010 0.00000000
|
||
21 0.00149205 -0.69857514 -0.00000014 -0.00000000 0.00000010
|
||
22 0.00000002 0.00000000 0.00056164 -0.11206675 0.01407352
|
||
23 -0.60498382 -0.00129215 0.00000000 -0.00000015 -0.00000000
|
||
24 0.00000000 -0.00000002 0.11206675 0.00056164 0.63659314
|
||
25 0.00000000 0.00000000 0.00000000 0.00000003 0.00000000
|
||
26 0.00000052 0.00000001 0.01249670 -2.49350674 0.02301466
|
||
27 0.00000000 -0.00000023 1.11513011 0.00558869 0.46556327
|
||
28 0.00479209 0.00001024 0.00000000 0.00000012 0.00000000
|
||
29 0.00000024 0.00000000 0.00558869 -1.11513011 0.01029247
|
||
30 0.00001182 -0.00553343 -0.00000000 0.00000000 -0.00000001
|
||
31 0.00000024 0.00000000 0.00559771 -1.11693011 0.00937772
|
||
32 0.00000001 -0.00000053 2.49350674 0.01249670 1.04103111
|
||
33 -0.00479209 -0.00001024 0.00000000 0.00000011 0.00000000
|
||
34 0.00000000 -0.00000024 1.11693011 0.00559771 0.42418593
|
||
35 0.00000000 0.00000000 0.00000000 0.00000025 0.00000000
|
||
36 0.00000000 0.00000000 0.00000000 0.00000008 0.00000000
|
||
37 0.00000000 0.00000000 0.00000000 0.00000002 0.00000000
|
||
38 0.00000000 0.00000000 -0.00000000 -0.00000008 -0.00000000
|
||
39 0.00000000 0.00000000 0.00000000 -0.00000001 -0.00000000
|
||
40 -0.00000036 -0.00000001 -0.00852146 1.70031387 0.01539632
|
||
41 -0.00000001 0.00000036 -1.70031387 -0.00852146 0.69642780
|
||
42 0.00000000 0.00000000 -0.00000000 -0.00000017 0.00000000
|
||
43 0.00000137 0.00000002 0.03241971 -6.46880899 -0.05780676
|
||
44 0.00000002 -0.00000137 6.46880899 0.03241971 -2.61479573
|
||
45 0.00000000 0.00000000 0.00000001 0.00000066 -0.00000000
|
||
46 -0.00000033 -0.00000001 -0.00750938 1.49837088 0.00785631
|
||
47 -0.00000001 0.00000033 -1.49837088 -0.00750938 0.35536766
|
||
48 0.00000000 0.00000000 -0.00000000 -0.00000015 0.00000000
|
||
49 -0.08681096 -0.00018541 0.00000000 -0.00000002 0.00000000
|
||
50 -0.00021410 0.10024066 0.00000002 0.00000000 0.00000001
|
||
51 -0.00000000 0.00000000 -0.00008914 0.01778605 0.00189592
|
||
52 0.08681096 0.00018541 -0.00000000 0.00000002 -0.00000000
|
||
53 0.00000000 0.00000000 -0.01778605 -0.00008914 0.08575871
|
||
54 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
55 0.60498382 0.00129215 -0.00000000 0.00000010 -0.00000000
|
||
56 0.00149205 -0.69857514 -0.00000014 -0.00000000 -0.00000010
|
||
57 0.00000002 0.00000000 0.00056164 -0.11206675 -0.01407352
|
||
58 -0.60498382 -0.00129215 0.00000000 -0.00000015 0.00000000
|
||
59 0.00000000 -0.00000002 0.11206675 0.00056164 -0.63659314
|
||
60 0.00000000 0.00000000 0.00000000 0.00000003 -0.00000000
|
||
61 -0.00000052 -0.00000001 -0.01249670 2.49350674 0.02301466
|
||
62 -0.00000000 0.00000023 -1.11513011 -0.00558869 0.46556327
|
||
63 -0.00479209 -0.00001024 -0.00000000 -0.00000012 0.00000000
|
||
64 -0.00000024 -0.00000000 -0.00558869 1.11513011 0.01029247
|
||
65 -0.00001182 0.00553343 0.00000000 0.00000000 -0.00000001
|
||
66 -0.00000024 -0.00000000 -0.00559771 1.11693011 0.00937772
|
||
67 -0.00000001 0.00000053 -2.49350674 -0.01249670 1.04103111
|
||
68 0.00479209 0.00001024 -0.00000000 -0.00000011 0.00000000
|
||
69 -0.00000000 0.00000024 -1.11693011 -0.00559771 0.42418593
|
||
70 0.00000000 0.00000000 -0.00000000 -0.00000025 0.00000000
|
||
21 22 23 24 25
|
||
1 0.00000000 0.00000000 0.00000000 0.00716377 0.63854517
|
||
2 0.00000002 0.00000000 0.00000000 0.10185396 0.53909910
|
||
3 -0.00000006 0.00000000 0.00000000 -2.28966551 -2.03258304
|
||
4 -0.00000010 0.00000000 0.00000000 -0.90223441 0.02765763
|
||
5 -0.69642780 0.00000012 -0.00000000 0.00000003 -0.00000001
|
||
6 0.01539632 0.00000000 0.00000012 -0.00000000 0.00000000
|
||
7 -0.00000014 0.00000000 0.00000000 -1.17170074 -0.66354872
|
||
8 2.61479573 -0.00000045 0.00000001 -0.00000010 0.00000005
|
||
9 -0.05780676 -0.00000001 -0.00000045 0.00000000 -0.00000000
|
||
10 0.00000054 0.00000000 0.00000000 4.57353752 2.46806729
|
||
11 -0.35536766 0.00000006 -0.00000000 0.00000001 -0.00000008
|
||
12 0.00785631 0.00000000 0.00000006 -0.00000000 0.00000000
|
||
13 -0.00000024 0.00000000 0.00000000 -3.31187612 -0.80871456
|
||
14 0.00000001 0.09500627 -0.00069917 -0.04011814 -0.02552578
|
||
15 -0.00000000 0.00080733 0.10970379 0.00000000 0.00000000
|
||
16 0.08575871 -0.00000001 0.00000000 -0.00000001 0.00000002
|
||
17 -0.00000001 -0.09500627 0.00069917 -0.04011814 -0.02552578
|
||
18 -0.00189592 -0.00000000 -0.00000001 0.00000000 -0.00000000
|
||
19 0.00000000 0.00000000 0.00000000 0.06296825 0.14307107
|
||
20 -0.00000010 -0.73320372 0.00539579 0.12271011 1.07041539
|
||
21 0.00000000 -0.00623053 -0.84663072 0.00000000 0.00000000
|
||
22 -0.63659314 0.00000007 -0.00000000 0.00000005 -0.00000014
|
||
23 0.00000007 0.73320372 -0.00539579 0.12271011 1.07041539
|
||
24 0.01407352 0.00000000 0.00000007 -0.00000000 0.00000000
|
||
25 -0.00000006 0.00000000 0.00000000 -1.34723575 -0.36730104
|
||
26 -1.04103111 0.00000019 -0.00000000 0.00000004 -0.00000002
|
||
27 0.01029247 0.00000000 0.00000009 -0.00000000 0.00000000
|
||
28 -0.00000008 0.00849025 -0.00006248 -0.74979251 -0.44331203
|
||
29 -0.46556327 0.00000007 -0.00000000 0.00000002 -0.00000001
|
||
30 -0.00000000 0.00007215 0.00980370 0.00000000 0.00000000
|
||
31 -0.42418593 0.00000007 -0.00000000 0.00000002 -0.00000000
|
||
32 0.02301466 0.00000000 0.00000017 -0.00000000 0.00000000
|
||
33 -0.00000009 -0.00849025 0.00006248 -0.74979251 -0.44331203
|
||
34 0.00937772 0.00000000 0.00000007 -0.00000000 0.00000000
|
||
35 -0.00000022 0.00000000 0.00000000 -1.95806330 -0.89428949
|
||
36 -0.00000000 0.00000000 0.00000000 -0.00716377 0.63854517
|
||
37 -0.00000002 0.00000000 0.00000000 -0.10185396 0.53909910
|
||
38 0.00000006 0.00000000 0.00000000 2.28966551 -2.03258304
|
||
39 0.00000010 0.00000000 0.00000000 0.90223441 0.02765763
|
||
40 -0.69642780 0.00000012 -0.00000000 0.00000003 0.00000001
|
||
41 0.01539632 0.00000000 0.00000012 -0.00000000 -0.00000000
|
||
42 -0.00000014 0.00000000 0.00000000 -1.17170074 0.66354872
|
||
43 2.61479573 -0.00000045 0.00000001 -0.00000010 -0.00000005
|
||
44 -0.05780676 -0.00000001 -0.00000045 0.00000000 0.00000000
|
||
45 0.00000054 0.00000000 0.00000000 4.57353752 -2.46806729
|
||
46 -0.35536766 0.00000006 -0.00000000 0.00000001 0.00000008
|
||
47 0.00785631 0.00000000 0.00000006 -0.00000000 -0.00000000
|
||
48 -0.00000024 0.00000000 0.00000000 -3.31187612 0.80871456
|
||
49 -0.00000001 -0.09500627 0.00069917 0.04011814 -0.02552578
|
||
50 0.00000000 -0.00080733 -0.10970379 0.00000000 0.00000000
|
||
51 -0.08575871 0.00000001 -0.00000000 0.00000001 0.00000002
|
||
52 0.00000001 0.09500627 -0.00069917 0.04011814 -0.02552578
|
||
53 0.00189592 0.00000000 0.00000001 -0.00000000 -0.00000000
|
||
54 -0.00000000 0.00000000 0.00000000 -0.06296825 0.14307107
|
||
55 0.00000010 0.73320372 -0.00539579 -0.12271011 1.07041539
|
||
56 -0.00000000 0.00623053 0.84663072 0.00000000 0.00000000
|
||
57 0.63659314 -0.00000007 0.00000000 -0.00000005 -0.00000014
|
||
58 -0.00000007 -0.73320372 0.00539579 -0.12271011 1.07041539
|
||
59 -0.01407352 -0.00000000 -0.00000007 0.00000000 0.00000000
|
||
60 0.00000006 0.00000000 0.00000000 1.34723575 -0.36730104
|
||
61 -1.04103111 0.00000019 -0.00000000 0.00000004 0.00000002
|
||
62 0.01029247 0.00000000 0.00000009 -0.00000000 -0.00000000
|
||
63 -0.00000008 0.00849025 -0.00006248 -0.74979251 0.44331203
|
||
64 -0.46556327 0.00000007 -0.00000000 0.00000002 0.00000001
|
||
65 -0.00000000 0.00007215 0.00980370 0.00000000 0.00000000
|
||
66 -0.42418593 0.00000007 -0.00000000 0.00000002 0.00000000
|
||
67 0.02301466 0.00000000 0.00000017 -0.00000000 -0.00000000
|
||
68 -0.00000009 -0.00849025 0.00006248 -0.74979251 0.44331203
|
||
69 0.00937772 0.00000000 0.00000007 -0.00000000 0.00000000
|
||
70 -0.00000022 0.00000000 0.00000000 -1.95806330 0.89428949
|
||
26 27 28 29 30
|
||
1 0.00000001 -0.00000012 -1.05565876 0.94010129 0.46897373
|
||
2 0.00000000 -0.00000003 0.36176555 0.13790598 0.80229428
|
||
3 -0.00000005 0.00000041 3.58861632 -6.72466868 1.17418400
|
||
4 0.00000000 -0.00000002 -0.24859980 0.59543449 0.29278794
|
||
5 -0.02969126 0.31441745 -0.00000005 0.00000001 0.00000010
|
||
6 0.31441745 0.02969126 0.00000000 -0.00000000 -0.00000000
|
||
7 -0.00000001 0.00000006 -0.33188413 0.31263977 -1.57900370
|
||
8 0.11011842 -1.16610579 0.00000013 0.00000001 -0.00000031
|
||
9 -1.16610579 -0.11011842 -0.00000000 -0.00000000 0.00000000
|
||
10 0.00000003 -0.00000023 1.23322017 -1.19355496 7.03719797
|
||
11 0.04484944 -0.47493593 0.00000003 -0.00000001 0.00000003
|
||
12 -0.47493593 -0.04484944 -0.00000000 0.00000000 -0.00000000
|
||
13 -0.00000001 0.00000007 -0.29755325 -1.78676637 2.12344133
|
||
14 0.00000000 -0.00000000 -0.09730424 0.03580515 0.06842742
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.01304143 0.13810304 -0.00000001 0.00000000 -0.00000001
|
||
17 0.00000000 -0.00000000 -0.09730424 0.03580515 0.06842742
|
||
18 0.13810304 0.01304143 0.00000000 0.00000000 0.00000000
|
||
19 0.00000000 -0.00000002 -0.04477254 0.13855460 -0.14838544
|
||
20 0.00000002 -0.00000018 -1.09369278 1.59581939 0.10439583
|
||
21 -0.00000001 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.12303454 -1.30288181 0.00000008 -0.00000001 0.00000001
|
||
23 0.00000002 -0.00000017 -1.09369278 1.59581939 0.10439583
|
||
24 -1.30288181 -0.12303454 -0.00000000 0.00000000 -0.00000000
|
||
25 0.00000000 -0.00000004 -1.38135471 0.26830018 3.70339848
|
||
26 -0.04304650 0.45584354 -0.00000006 -0.00000000 0.00000015
|
||
27 0.20385943 0.01925098 0.00000000 0.00000000 -0.00000000
|
||
28 -0.00000001 0.00000005 -0.24792865 0.20241262 -0.93580533
|
||
29 -0.01925098 0.20385943 -0.00000003 -0.00000000 0.00000007
|
||
30 0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.01746371 0.18493305 -0.00000002 0.00000001 0.00000006
|
||
32 0.45584354 0.04304650 0.00000000 0.00000000 -0.00000000
|
||
33 -0.00000000 0.00000004 -0.24792865 0.20241262 -0.93580533
|
||
34 0.18493305 0.01746371 0.00000000 -0.00000000 -0.00000000
|
||
35 -0.00000001 0.00000008 -0.42181880 0.42255014 -1.92512088
|
||
36 0.00000001 -0.00000012 -1.05565876 -0.94010129 -0.46897373
|
||
37 0.00000000 -0.00000003 0.36176555 -0.13790598 -0.80229428
|
||
38 -0.00000005 0.00000041 3.58861632 6.72466868 -1.17418400
|
||
39 0.00000000 -0.00000002 -0.24859980 -0.59543449 -0.29278794
|
||
40 0.02969126 -0.31441745 0.00000005 0.00000001 0.00000010
|
||
41 -0.31441745 -0.02969126 -0.00000000 -0.00000000 -0.00000000
|
||
42 0.00000001 -0.00000006 0.33188413 0.31263977 -1.57900370
|
||
43 -0.11011842 1.16610579 -0.00000013 0.00000001 -0.00000031
|
||
44 1.16610579 0.11011842 0.00000000 -0.00000000 0.00000000
|
||
45 -0.00000003 0.00000023 -1.23322017 -1.19355496 7.03719797
|
||
46 -0.04484944 0.47493593 -0.00000003 -0.00000001 0.00000003
|
||
47 0.47493593 0.04484944 0.00000000 0.00000000 -0.00000000
|
||
48 0.00000001 -0.00000007 0.29755326 -1.78676637 2.12344133
|
||
49 0.00000000 -0.00000000 -0.09730424 -0.03580515 -0.06842742
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.01304143 0.13810304 -0.00000001 -0.00000000 0.00000001
|
||
52 0.00000000 -0.00000000 -0.09730424 -0.03580515 -0.06842742
|
||
53 0.13810304 0.01304143 0.00000000 0.00000000 0.00000000
|
||
54 0.00000000 -0.00000002 -0.04477254 -0.13855460 0.14838544
|
||
55 0.00000002 -0.00000018 -1.09369278 -1.59581939 -0.10439583
|
||
56 -0.00000001 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.12303454 -1.30288181 0.00000008 0.00000001 -0.00000001
|
||
58 0.00000002 -0.00000017 -1.09369278 -1.59581939 -0.10439583
|
||
59 -1.30288181 -0.12303454 -0.00000000 -0.00000000 0.00000000
|
||
60 0.00000000 -0.00000004 -1.38135471 -0.26830018 -3.70339848
|
||
61 0.04304650 -0.45584354 0.00000006 -0.00000000 0.00000015
|
||
62 -0.20385943 -0.01925098 -0.00000000 0.00000000 -0.00000000
|
||
63 0.00000001 -0.00000005 0.24792865 0.20241262 -0.93580533
|
||
64 0.01925098 -0.20385943 0.00000003 -0.00000000 0.00000007
|
||
65 -0.00000001 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 0.01746371 -0.18493305 0.00000002 0.00000001 0.00000006
|
||
67 -0.45584354 -0.04304650 -0.00000000 0.00000000 -0.00000000
|
||
68 0.00000000 -0.00000004 0.24792865 0.20241262 -0.93580533
|
||
69 -0.18493305 -0.01746371 -0.00000000 -0.00000000 -0.00000000
|
||
70 0.00000001 -0.00000008 0.42181880 0.42255014 -1.92512088
|
||
31 32 33 34 35
|
||
1 0.45526542 -0.00000000 0.00000005 0.00000001 -0.00000009
|
||
2 -0.43104530 0.00000000 -0.00000004 -0.00000000 0.00000003
|
||
3 0.05399636 0.00000000 -0.00000004 -0.00000000 0.00000001
|
||
4 -0.20152284 0.00000000 -0.00000003 -0.00000000 0.00000003
|
||
5 -0.00000024 -0.04233348 2.81790569 0.13956250 -3.20728425
|
||
6 0.00000000 2.81790569 0.04233348 -3.20728425 -0.13956250
|
||
7 -3.06422511 -0.00000000 0.00000009 -0.00000001 0.00000023
|
||
8 0.00000075 0.13135933 -8.74386369 -0.44067707 10.12719459
|
||
9 -0.00000001 -8.74386369 -0.13135933 10.12719459 0.44067707
|
||
10 9.39244174 0.00000001 -0.00000035 0.00000004 -0.00000071
|
||
11 -0.00000009 -0.01230631 0.81916266 0.05069351 -1.16498695
|
||
12 0.00000000 0.81916266 0.01230631 -1.16498695 -0.05069351
|
||
13 -0.96441462 0.00000000 -0.00000006 -0.00000000 0.00000008
|
||
14 0.05282828 0.00000000 -0.00000001 -0.00000000 0.00000001
|
||
15 0.00000000 -0.00000001 0.00000000 0.00000001 0.00000000
|
||
16 0.00000000 -0.00039269 0.02613900 0.00033769 -0.00776037
|
||
17 0.05282828 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
18 0.00000000 0.02613900 0.00039269 -0.00776037 -0.00033769
|
||
19 -0.13233941 -0.00000000 0.00000001 -0.00000000 0.00000001
|
||
20 -0.09585379 0.00000000 -0.00000001 -0.00000000 0.00000001
|
||
21 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
22 0.00000001 -0.00033900 0.02256562 -0.00594408 0.13660080
|
||
23 -0.09585379 0.00000000 -0.00000002 -0.00000000 0.00000002
|
||
24 -0.00000000 0.02256562 0.00033900 0.13660080 0.00594408
|
||
25 0.22121747 0.00000000 -0.00000015 0.00000000 -0.00000000
|
||
26 -0.00000035 -0.06318841 4.20610316 0.20763867 -4.77174180
|
||
27 0.00000000 1.88102652 0.02825872 -2.13398781 -0.09285884
|
||
28 -1.97972146 -0.00000000 0.00000005 -0.00000001 0.00000015
|
||
29 -0.00000016 -0.02825872 1.88102652 0.09285884 -2.13398781
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 -0.00000016 -0.02961130 1.97106074 0.09227988 -2.12068280
|
||
32 0.00000001 4.20610316 0.06318841 -4.77174180 -0.20763867
|
||
33 -1.97972146 -0.00000000 0.00000005 -0.00000001 0.00000015
|
||
34 0.00000000 1.97106074 0.02961130 -2.12068280 -0.09227988
|
||
35 -4.62393273 -0.00000000 0.00000011 -0.00000002 0.00000035
|
||
36 0.45526542 0.00000000 -0.00000005 0.00000001 -0.00000009
|
||
37 -0.43104530 -0.00000000 0.00000004 -0.00000000 0.00000003
|
||
38 0.05399636 -0.00000000 0.00000004 -0.00000000 0.00000001
|
||
39 -0.20152284 -0.00000000 0.00000003 -0.00000000 0.00000003
|
||
40 0.00000024 -0.04233348 2.81790569 -0.13956250 3.20728425
|
||
41 -0.00000000 2.81790569 0.04233348 3.20728425 0.13956250
|
||
42 3.06422511 -0.00000000 0.00000009 0.00000001 -0.00000023
|
||
43 -0.00000075 0.13135933 -8.74386369 0.44067707 -10.12719459
|
||
44 0.00000001 -8.74386369 -0.13135933 -10.12719459 -0.44067707
|
||
45 -9.39244174 0.00000001 -0.00000035 -0.00000004 0.00000071
|
||
46 0.00000009 -0.01230631 0.81916266 -0.05069351 1.16498695
|
||
47 -0.00000000 0.81916266 0.01230631 1.16498695 0.05069351
|
||
48 0.96441462 0.00000000 -0.00000006 0.00000000 -0.00000008
|
||
49 0.05282828 -0.00000000 0.00000001 -0.00000000 0.00000001
|
||
50 0.00000000 0.00000001 0.00000000 0.00000001 0.00000000
|
||
51 0.00000000 0.00039269 -0.02613900 0.00033769 -0.00776037
|
||
52 0.05282828 -0.00000000 -0.00000000 0.00000000 -0.00000001
|
||
53 0.00000000 -0.02613900 -0.00039269 -0.00776037 -0.00033769
|
||
54 -0.13233941 0.00000000 -0.00000001 -0.00000000 0.00000001
|
||
55 -0.09585379 -0.00000000 0.00000001 -0.00000000 0.00000001
|
||
56 0.00000000 -0.00000000 0.00000000 -0.00000000 0.00000000
|
||
57 0.00000001 0.00033900 -0.02256562 -0.00594408 0.13660080
|
||
58 -0.09585379 -0.00000000 0.00000002 -0.00000000 0.00000002
|
||
59 -0.00000000 -0.02256562 -0.00033900 0.13660080 0.00594408
|
||
60 0.22121747 -0.00000000 0.00000015 0.00000000 -0.00000000
|
||
61 0.00000035 -0.06318841 4.20610316 -0.20763867 4.77174180
|
||
62 -0.00000000 1.88102652 0.02825872 2.13398781 0.09285884
|
||
63 1.97972146 -0.00000000 0.00000005 0.00000001 -0.00000015
|
||
64 0.00000016 -0.02825872 1.88102652 -0.09285884 2.13398781
|
||
65 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
66 0.00000016 -0.02961130 1.97106074 -0.09227988 2.12068280
|
||
67 -0.00000001 4.20610316 0.06318841 4.77174180 0.20763867
|
||
68 1.97972146 -0.00000000 0.00000005 0.00000001 -0.00000015
|
||
69 -0.00000000 1.97106074 0.02961130 2.12068280 0.09227988
|
||
70 4.62393273 -0.00000000 0.00000011 0.00000002 -0.00000035
|
||
36 37 38 39 40
|
||
1 -0.69722706 0.00000000 0.00000000 -0.00000000 -0.00000000
|
||
2 1.13502696 0.00000000 0.00000000 -0.00000000 -0.00000000
|
||
3 0.05907426 0.00000000 0.00000000 0.00000004 0.00000007
|
||
4 -0.28598521 0.00000000 0.00000000 0.00000000 0.00000001
|
||
5 0.00000002 -0.00000001 -0.00000000 -0.05858598 -0.12788073
|
||
6 -0.00000000 -0.00000000 0.00000001 0.12788073 -0.05858598
|
||
7 -5.22178084 0.00000000 0.00000000 0.00000002 0.00000004
|
||
8 -0.00000005 0.00000003 0.00000000 0.10364736 0.22624015
|
||
9 0.00000000 0.00000000 -0.00000003 -0.22624015 0.10364736
|
||
10 18.15817775 0.00000000 0.00000000 -0.00000006 -0.00000014
|
||
11 0.00000001 -0.00000001 -0.00000000 0.01452497 0.03170493
|
||
12 0.00000000 -0.00000000 0.00000001 -0.03170493 0.01452497
|
||
13 -1.20208395 0.00000000 0.00000000 0.00000003 0.00000006
|
||
14 -0.02107176 -0.01430069 -0.00004389 0.00000000 0.00000001
|
||
15 0.00000000 -0.00005068 0.01651301 -0.00000000 0.00000000
|
||
16 0.00000001 0.00000001 0.00000000 0.07126509 0.15555655
|
||
17 -0.02107176 0.01430069 0.00004389 0.00000000 -0.00000000
|
||
18 -0.00000000 0.00000000 -0.00000001 -0.15555655 0.07126509
|
||
19 -0.01609999 0.00000000 0.00000000 -0.00000000 -0.00000001
|
||
20 0.15129730 0.07839334 0.00024059 -0.00000001 -0.00000002
|
||
21 0.00000000 0.00027781 -0.09052083 0.00000000 -0.00000000
|
||
22 -0.00000000 -0.00000002 -0.00000000 -0.05460587 -0.11919301
|
||
23 0.15129730 -0.07839334 -0.00024059 -0.00000001 -0.00000001
|
||
24 0.00000000 -0.00000000 0.00000002 0.11919301 -0.05460587
|
||
25 2.09646689 0.00000000 0.00000000 0.00000001 0.00000002
|
||
26 0.00000002 -0.00000003 -0.00000000 -0.23053877 -0.50321713
|
||
27 -0.00000000 0.00000000 0.00000002 0.22504554 -0.10310007
|
||
28 -3.28284036 -0.57005131 -0.00174952 0.00000001 0.00000003
|
||
29 0.00000001 0.00000001 -0.00000000 -0.10310007 -0.22504554
|
||
30 0.00000000 -0.00202018 0.65823856 -0.00000000 0.00000000
|
||
31 0.00000002 -0.00000000 0.00000000 0.24624751 0.53750595
|
||
32 -0.00000000 -0.00000000 0.00000001 0.50321713 -0.23053877
|
||
33 -3.28284036 0.57005131 0.00174952 0.00000001 0.00000002
|
||
34 -0.00000000 0.00000000 0.00000000 -0.53750595 0.24624751
|
||
35 -7.77151881 0.00000000 0.00000000 0.00000003 0.00000007
|
||
36 0.69722706 0.00000000 0.00000000 0.00000000 0.00000000
|
||
37 -1.13502696 0.00000000 0.00000000 0.00000000 0.00000000
|
||
38 -0.05907426 0.00000000 0.00000000 -0.00000004 -0.00000007
|
||
39 0.28598521 0.00000000 0.00000000 -0.00000000 -0.00000001
|
||
40 0.00000002 0.00000001 0.00000000 -0.05858598 -0.12788073
|
||
41 -0.00000000 0.00000000 -0.00000001 0.12788073 -0.05858598
|
||
42 -5.22178084 0.00000000 0.00000000 0.00000002 0.00000004
|
||
43 -0.00000005 -0.00000003 -0.00000000 0.10364736 0.22624015
|
||
44 0.00000000 -0.00000000 0.00000003 -0.22624015 0.10364736
|
||
45 18.15817775 0.00000000 0.00000000 -0.00000006 -0.00000014
|
||
46 0.00000001 0.00000001 0.00000000 0.01452497 0.03170493
|
||
47 0.00000000 0.00000000 -0.00000001 -0.03170493 0.01452497
|
||
48 -1.20208395 0.00000000 0.00000000 0.00000003 0.00000006
|
||
49 0.02107176 -0.01430069 -0.00004389 -0.00000000 -0.00000001
|
||
50 0.00000000 -0.00005068 0.01651301 0.00000000 -0.00000000
|
||
51 -0.00000001 0.00000001 0.00000000 -0.07126509 -0.15555655
|
||
52 0.02107176 0.01430069 0.00004389 0.00000000 0.00000000
|
||
53 0.00000000 0.00000000 -0.00000001 0.15555655 -0.07126509
|
||
54 0.01609999 0.00000000 0.00000000 0.00000000 0.00000001
|
||
55 -0.15129730 0.07839334 0.00024059 0.00000001 0.00000002
|
||
56 0.00000000 0.00027781 -0.09052083 -0.00000000 0.00000000
|
||
57 0.00000000 -0.00000002 -0.00000000 0.05460587 0.11919301
|
||
58 -0.15129730 -0.07839334 -0.00024059 0.00000001 0.00000001
|
||
59 0.00000000 -0.00000000 0.00000002 -0.11919301 0.05460587
|
||
60 -2.09646689 0.00000000 0.00000000 -0.00000001 -0.00000002
|
||
61 0.00000002 0.00000003 0.00000000 -0.23053877 -0.50321713
|
||
62 -0.00000000 0.00000000 -0.00000002 0.22504554 -0.10310007
|
||
63 -3.28284036 0.57005131 0.00174952 0.00000001 0.00000003
|
||
64 0.00000001 -0.00000001 0.00000000 -0.10310007 -0.22504554
|
||
65 0.00000000 0.00202018 -0.65823856 -0.00000000 0.00000000
|
||
66 0.00000002 0.00000000 0.00000000 0.24624751 0.53750595
|
||
67 -0.00000000 0.00000000 -0.00000001 0.50321713 -0.23053877
|
||
68 -3.28284036 -0.57005131 -0.00174952 0.00000001 0.00000002
|
||
69 -0.00000000 0.00000000 -0.00000000 -0.53750595 0.24624751
|
||
70 -7.77151881 0.00000000 0.00000000 0.00000003 0.00000007
|
||
41 42 43 44 45
|
||
1 0.00000000 0.00000000 0.00000000 0.00000000 1.97928778
|
||
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.31358938
|
||
3 0.00000000 0.00000000 0.00000000 0.00000000 -1.37280978
|
||
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.48275070
|
||
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
7 0.00000000 0.00000000 0.00000000 0.00000000 1.49888048
|
||
8 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000003
|
||
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
10 0.00000000 0.00000000 0.00000000 0.00000000 -4.49335859
|
||
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
12 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
13 0.00000000 0.00000000 0.00000000 0.00000000 0.41768830
|
||
14 -0.00000000 -0.00000001 0.00000001 0.00000000 0.16626169
|
||
15 0.00000001 -0.00000000 0.00000000 -0.00000001 0.00000000
|
||
16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
17 0.00000000 0.00000001 -0.00000001 -0.00000000 0.16626169
|
||
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.38772529
|
||
20 0.00000000 0.00000001 -0.00000001 -0.00000000 0.01874257
|
||
21 -0.00000001 0.00000000 -0.00000000 0.00000001 0.00000000
|
||
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000002
|
||
23 -0.00000000 -0.00000001 0.00000001 0.00000000 0.01874257
|
||
24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
25 0.00000000 0.00000000 0.00000000 0.00000000 0.13192325
|
||
26 0.04737063 0.54943502 -0.56656380 -0.01890043 0.00000001
|
||
27 -0.73714443 0.06355437 -0.02535758 0.76012510 0.00000000
|
||
28 0.00000000 0.00000000 0.00000001 0.00000000 1.34929514
|
||
29 -0.06355437 -0.73714443 0.76012510 0.02535758 0.00000001
|
||
30 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000001
|
||
32 0.54943502 -0.04737063 0.01890043 -0.56656380 -0.00000000
|
||
33 0.00000000 0.00000000 -0.00000001 -0.00000000 1.34929514
|
||
34 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
35 0.00000000 0.00000000 0.00000000 0.00000000 1.65565342
|
||
36 0.00000000 0.00000000 0.00000000 0.00000000 1.97928778
|
||
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.31358938
|
||
38 0.00000000 0.00000000 0.00000000 0.00000000 -1.37280978
|
||
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.48275070
|
||
40 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
42 0.00000000 0.00000000 0.00000000 0.00000000 -1.49888048
|
||
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000003
|
||
44 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
45 0.00000000 0.00000000 0.00000000 0.00000000 4.49335859
|
||
46 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.41768830
|
||
49 0.00000000 0.00000001 0.00000001 0.00000000 0.16626169
|
||
50 -0.00000001 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
51 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
52 -0.00000000 -0.00000001 -0.00000001 -0.00000000 0.16626169
|
||
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.38772529
|
||
55 -0.00000000 -0.00000001 -0.00000001 -0.00000000 0.01874257
|
||
56 0.00000001 -0.00000000 -0.00000000 0.00000001 0.00000000
|
||
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000002
|
||
58 0.00000000 0.00000001 0.00000001 0.00000000 0.01874257
|
||
59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
|
||
60 0.00000000 0.00000000 0.00000000 0.00000000 0.13192325
|
||
61 0.04737063 0.54943502 0.56656380 0.01890043 -0.00000001
|
||
62 -0.73714443 0.06355437 0.02535758 -0.76012510 0.00000000
|
||
63 0.00000000 0.00000000 -0.00000001 -0.00000000 -1.34929514
|
||
64 -0.06355437 -0.73714443 -0.76012510 -0.02535758 -0.00000001
|
||
65 0.00000000 0.00000000 -0.00000000 0.00000001 0.00000000
|
||
66 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000001
|
||
67 0.54943502 -0.04737063 -0.01890043 0.56656380 0.00000000
|
||
68 0.00000000 0.00000000 0.00000001 0.00000000 -1.34929514
|
||
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
70 0.00000000 0.00000000 0.00000000 0.00000000 -1.65565342
|
||
46 47 48 49 50
|
||
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
5 -0.00000000 0.00000000 0.00000000 0.00000001 -0.00000000
|
||
6 0.00000000 -0.00000000 0.00000001 0.00000000 0.00000003
|
||
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
8 0.00000002 -0.00000000 0.00000000 -0.00000002 0.00000000
|
||
9 0.00000000 0.00000002 -0.00000002 -0.00000000 -0.00000011
|
||
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
11 -0.00000000 0.00000000 0.00000000 0.00000001 0.00000000
|
||
12 0.00000000 -0.00000000 0.00000001 0.00000000 0.00000001
|
||
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
14 -0.06442028 0.00003035 0.00636365 0.74321447 0.00557330
|
||
15 -0.00003504 -0.07438613 0.85819015 -0.00734811 0.87715160
|
||
16 0.00000001 -0.00000000 0.00000000 0.00000001 -0.00000000
|
||
17 0.06442028 -0.00003035 -0.00636365 -0.74321447 -0.00557330
|
||
18 0.00000000 0.00000001 0.00000001 0.00000000 0.00000004
|
||
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
20 -0.08986832 0.00004234 -0.00283485 -0.33108407 -0.00320467
|
||
21 -0.00004889 -0.10377100 -0.38230296 0.00327341 -0.50436585
|
||
22 -0.00000001 0.00000000 -0.00000000 0.00000002 0.00000000
|
||
23 0.08986832 -0.00004234 0.00283485 0.33108407 0.00320467
|
||
24 -0.00000000 -0.00000001 0.00000002 0.00000000 -0.00000002
|
||
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
26 -0.00000001 0.00000000 0.00000000 0.00000001 -0.00000000
|
||
27 0.00000000 -0.00000001 0.00000001 -0.00000000 0.00000004
|
||
28 -0.67494888 0.00031797 0.00008082 0.00943932 -0.00076482
|
||
29 -0.00000000 0.00000000 -0.00000000 -0.00000001 -0.00000000
|
||
30 -0.00036716 -0.77936384 0.01089959 -0.00009333 -0.12037017
|
||
31 -0.00000000 0.00000000 -0.00000000 0.00000004 -0.00000000
|
||
32 -0.00000000 -0.00000001 -0.00000000 0.00000000 0.00000006
|
||
33 0.67494888 -0.00031797 -0.00008082 -0.00943932 0.00076482
|
||
34 0.00000000 -0.00000000 0.00000004 0.00000000 0.00000002
|
||
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
40 -0.00000000 0.00000000 0.00000000 -0.00000001 -0.00000000
|
||
41 0.00000000 -0.00000000 -0.00000001 0.00000000 0.00000003
|
||
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
43 0.00000002 -0.00000000 -0.00000000 0.00000002 0.00000000
|
||
44 0.00000000 0.00000002 0.00000002 0.00000000 -0.00000011
|
||
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
46 -0.00000000 0.00000000 0.00000000 -0.00000001 0.00000000
|
||
47 0.00000000 -0.00000000 -0.00000001 0.00000000 0.00000001
|
||
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
49 0.06442028 -0.00003035 0.00636365 0.74321447 -0.00557330
|
||
50 0.00003504 0.07438613 0.85819015 -0.00734811 -0.87715160
|
||
51 -0.00000001 0.00000000 0.00000000 0.00000001 0.00000000
|
||
52 -0.06442028 0.00003035 -0.00636365 -0.74321447 0.00557330
|
||
53 -0.00000000 -0.00000001 0.00000001 0.00000000 -0.00000004
|
||
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
55 0.08986832 -0.00004234 -0.00283485 -0.33108407 0.00320467
|
||
56 0.00004889 0.10377100 -0.38230296 0.00327341 0.50436585
|
||
57 0.00000001 -0.00000000 -0.00000000 0.00000002 -0.00000000
|
||
58 -0.08986832 0.00004234 0.00283485 0.33108407 -0.00320467
|
||
59 0.00000000 0.00000001 0.00000002 0.00000000 0.00000002
|
||
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
61 -0.00000001 0.00000000 -0.00000000 -0.00000001 -0.00000000
|
||
62 0.00000000 -0.00000001 -0.00000001 0.00000000 0.00000004
|
||
63 -0.67494888 0.00031797 -0.00008082 -0.00943932 -0.00076482
|
||
64 -0.00000000 0.00000000 0.00000000 0.00000001 -0.00000000
|
||
65 -0.00036716 -0.77936384 -0.01089959 0.00009333 -0.12037017
|
||
66 -0.00000000 0.00000000 0.00000000 -0.00000004 -0.00000000
|
||
67 -0.00000000 -0.00000001 0.00000000 -0.00000000 0.00000006
|
||
68 0.67494888 -0.00031797 0.00008082 0.00943932 0.00076482
|
||
69 0.00000000 -0.00000000 -0.00000004 -0.00000000 0.00000002
|
||
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 52 53 54 55
|
||
1 0.00000000 0.00000000 0.00000000 0.00000002 -0.00000013
|
||
2 0.00000000 0.00000004 0.00000003 -0.00000000 0.00000002
|
||
3 0.00000000 0.00000006 0.00000005 -0.00000002 0.00000010
|
||
4 0.00000000 0.00000001 0.00000000 -0.00000001 0.00000003
|
||
5 -0.00000003 -0.00523768 -0.00388200 0.11989534 -0.87544516
|
||
6 -0.00000000 -0.00388200 0.00523768 -0.87544516 -0.11989534
|
||
7 0.00000000 -0.00000007 -0.00000005 0.00000000 -0.00000001
|
||
8 0.00000011 -0.00107314 -0.00079538 -0.46169329 3.37116657
|
||
9 0.00000000 -0.00079538 0.00107314 3.37116657 0.46169329
|
||
10 0.00000000 0.00000025 0.00000019 -0.00000000 0.00000003
|
||
11 -0.00000001 0.00281578 0.00208697 0.01813161 -0.13239239
|
||
12 0.00000000 0.00208697 -0.00281578 -0.13239239 -0.01813161
|
||
13 0.00000000 0.00000006 0.00000005 -0.00000000 0.00000001
|
||
14 -0.75963557 -0.00000002 -0.00000002 0.00000000 -0.00000001
|
||
15 0.00643549 -0.00000002 0.00000003 -0.00000002 -0.00000000
|
||
16 -0.00000004 0.70122660 0.51972720 -0.03244856 0.23693109
|
||
17 0.75963557 0.00000004 0.00000003 -0.00000000 0.00000003
|
||
18 -0.00000000 0.51972720 -0.70122660 0.23693109 0.03244856
|
||
19 0.00000000 -0.00000002 -0.00000001 0.00000000 -0.00000002
|
||
20 0.43679364 0.00000001 0.00000001 0.00000000 -0.00000002
|
||
21 -0.00370043 0.00000002 -0.00000002 0.00000001 0.00000000
|
||
22 0.00000002 -0.32766333 -0.24285380 -0.07883881 0.57566087
|
||
23 -0.43679364 -0.00000003 -0.00000002 0.00000000 -0.00000003
|
||
24 0.00000000 -0.24285380 0.32766333 0.57566087 0.07883881
|
||
25 0.00000000 0.00000012 0.00000009 -0.00000000 0.00000002
|
||
26 -0.00000007 0.12868426 0.09537675 0.28159279 -2.05611866
|
||
27 0.00000000 0.04265378 -0.05754935 -0.91952422 -0.12593212
|
||
28 0.10424363 -0.00000004 -0.00000003 0.00000000 -0.00000001
|
||
29 -0.00000002 0.05754935 0.04265378 0.12593212 -0.91952422
|
||
30 -0.00088313 0.00000001 -0.00000001 0.00000000 0.00000000
|
||
31 -0.00000002 -0.13156145 -0.09750922 -0.05130155 0.37459080
|
||
32 -0.00000000 0.09537675 -0.12868426 -2.05611866 -0.28159279
|
||
33 -0.10424363 -0.00000006 -0.00000004 0.00000000 -0.00000002
|
||
34 -0.00000000 -0.09750922 0.13156145 0.37459080 0.05130155
|
||
35 0.00000000 -0.00000004 -0.00000003 0.00000000 -0.00000001
|
||
36 0.00000000 -0.00000000 -0.00000000 0.00000002 -0.00000013
|
||
37 0.00000000 -0.00000004 -0.00000003 -0.00000000 0.00000002
|
||
38 0.00000000 -0.00000006 -0.00000005 -0.00000002 0.00000010
|
||
39 0.00000000 -0.00000001 -0.00000000 -0.00000001 0.00000003
|
||
40 -0.00000003 -0.00523768 -0.00388200 -0.11989534 0.87544516
|
||
41 -0.00000000 -0.00388200 0.00523768 0.87544516 0.11989534
|
||
42 0.00000000 -0.00000007 -0.00000005 -0.00000000 0.00000001
|
||
43 0.00000011 -0.00107314 -0.00079538 0.46169329 -3.37116657
|
||
44 0.00000000 -0.00079538 0.00107314 -3.37116657 -0.46169329
|
||
45 0.00000000 0.00000025 0.00000019 0.00000000 -0.00000003
|
||
46 -0.00000001 0.00281578 0.00208697 -0.01813161 0.13239239
|
||
47 0.00000000 0.00208697 -0.00281578 0.13239239 0.01813161
|
||
48 0.00000000 0.00000006 0.00000005 0.00000000 -0.00000001
|
||
49 0.75963557 0.00000002 0.00000002 0.00000000 -0.00000001
|
||
50 -0.00643549 0.00000002 -0.00000003 -0.00000002 -0.00000000
|
||
51 0.00000004 -0.70122660 -0.51972720 -0.03244856 0.23693109
|
||
52 -0.75963557 -0.00000004 -0.00000003 -0.00000000 0.00000003
|
||
53 0.00000000 -0.51972720 0.70122660 0.23693109 0.03244856
|
||
54 0.00000000 0.00000002 0.00000001 0.00000000 -0.00000002
|
||
55 -0.43679364 -0.00000001 -0.00000001 0.00000000 -0.00000002
|
||
56 0.00370043 -0.00000002 0.00000002 0.00000001 0.00000000
|
||
57 -0.00000002 0.32766333 0.24285380 -0.07883881 0.57566087
|
||
58 0.43679364 0.00000003 0.00000002 0.00000000 -0.00000003
|
||
59 -0.00000000 0.24285380 -0.32766333 0.57566087 0.07883881
|
||
60 0.00000000 -0.00000012 -0.00000009 -0.00000000 0.00000002
|
||
61 -0.00000007 0.12868426 0.09537675 -0.28159279 2.05611866
|
||
62 0.00000000 0.04265378 -0.05754935 0.91952422 0.12593212
|
||
63 0.10424363 -0.00000004 -0.00000003 -0.00000000 0.00000001
|
||
64 -0.00000002 0.05754935 0.04265378 -0.12593212 0.91952422
|
||
65 -0.00088313 0.00000001 -0.00000001 -0.00000000 -0.00000000
|
||
66 -0.00000002 -0.13156145 -0.09750922 0.05130155 -0.37459080
|
||
67 -0.00000000 0.09537675 -0.12868426 2.05611866 0.28159279
|
||
68 -0.10424363 -0.00000006 -0.00000004 -0.00000000 0.00000002
|
||
69 -0.00000000 -0.09750922 0.13156145 -0.37459080 -0.05130155
|
||
70 0.00000000 -0.00000004 -0.00000003 -0.00000000 0.00000001
|
||
56 57 58 59 60
|
||
1 -0.00000002 0.00000002 0.55960858 -4.33951206 2.63148676
|
||
2 0.00000000 -0.00000000 -1.32238876 0.46825916 -1.97919407
|
||
3 0.00000002 -0.00000002 -2.94104793 3.27186115 -2.58993815
|
||
4 0.00000000 -0.00000001 -0.28468694 1.12677447 -0.51341817
|
||
5 -0.19442193 0.19495985 -0.00000002 0.00000004 0.00000006
|
||
6 -0.19495985 -0.19442193 0.00000000 -0.00000000 -0.00000000
|
||
7 -0.00000003 0.00000003 2.36262557 -0.87525474 4.26254814
|
||
8 0.65659364 -0.65841027 0.00000008 -0.00000013 -0.00000041
|
||
9 0.65841027 0.65659364 -0.00000000 0.00000000 0.00000001
|
||
10 0.00000011 -0.00000011 -7.92210685 3.30610658 -18.06640022
|
||
11 0.22829211 -0.22892374 -0.00000001 0.00000000 0.00000003
|
||
12 0.22892374 0.22829211 0.00000000 0.00000000 -0.00000000
|
||
13 -0.00000001 0.00000001 -2.10400454 0.05898024 -0.30932272
|
||
14 -0.00000000 0.00000000 -0.29410594 0.52781277 -0.11628739
|
||
15 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 -0.62447858 0.62620636 0.00000003 -0.00000000 0.00000000
|
||
17 -0.00000000 0.00000000 -0.29410594 0.52781277 -0.11628739
|
||
18 -0.62620636 -0.62447858 -0.00000000 0.00000000 0.00000000
|
||
19 0.00000000 -0.00000000 0.89400753 -0.70178190 0.01998766
|
||
20 -0.00000000 0.00000000 0.43494664 -0.72644454 0.18250789
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.73223188 -0.73425779 -0.00000001 -0.00000002 0.00000000
|
||
23 -0.00000000 0.00000000 0.43494664 -0.72644454 0.18250789
|
||
24 0.73425779 0.73223188 0.00000000 0.00000000 0.00000000
|
||
25 0.00000000 0.00000000 -3.44148634 0.44829539 -3.28561783
|
||
26 -0.43401956 0.43522038 -0.00000004 0.00000007 0.00000024
|
||
27 -0.19463647 -0.19409945 0.00000000 -0.00000000 -0.00000000
|
||
28 -0.00000003 0.00000003 1.43291571 -1.14440102 3.86009248
|
||
29 -0.19409945 0.19463647 -0.00000002 0.00000003 0.00000011
|
||
30 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 0.22780066 -0.22843093 -0.00000002 -0.00000000 0.00000010
|
||
32 -0.43522038 -0.43401956 0.00000000 -0.00000000 -0.00000000
|
||
33 -0.00000003 0.00000003 1.43291571 -1.14440102 3.86009248
|
||
34 0.22843093 0.22780066 0.00000000 0.00000000 -0.00000000
|
||
35 -0.00000005 0.00000005 1.69516010 -1.43229982 6.62300519
|
||
36 -0.00000002 0.00000002 -0.55960858 -4.33951206 -2.63148676
|
||
37 0.00000000 -0.00000000 1.32238876 0.46825916 1.97919407
|
||
38 0.00000002 -0.00000002 2.94104793 3.27186115 2.58993815
|
||
39 0.00000000 -0.00000001 0.28468694 1.12677447 0.51341817
|
||
40 0.19442193 -0.19495985 -0.00000002 -0.00000004 0.00000006
|
||
41 0.19495985 0.19442193 0.00000000 0.00000000 -0.00000000
|
||
42 0.00000003 -0.00000003 2.36262557 0.87525474 4.26254814
|
||
43 -0.65659364 0.65841027 0.00000008 0.00000013 -0.00000041
|
||
44 -0.65841027 -0.65659364 -0.00000000 -0.00000000 0.00000001
|
||
45 -0.00000011 0.00000011 -7.92210685 -3.30610658 -18.06640022
|
||
46 -0.22829211 0.22892374 -0.00000001 -0.00000000 0.00000003
|
||
47 -0.22892374 -0.22829211 0.00000000 0.00000000 -0.00000000
|
||
48 0.00000001 -0.00000001 -2.10400454 -0.05898024 -0.30932272
|
||
49 -0.00000000 0.00000000 0.29410594 0.52781277 0.11628739
|
||
50 -0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 -0.62447858 0.62620636 -0.00000003 -0.00000000 -0.00000000
|
||
52 -0.00000000 0.00000000 0.29410594 0.52781277 0.11628739
|
||
53 -0.62620636 -0.62447858 0.00000000 0.00000000 0.00000000
|
||
54 0.00000000 -0.00000000 -0.89400753 -0.70178190 -0.01998766
|
||
55 -0.00000000 0.00000000 -0.43494664 -0.72644454 -0.18250789
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.73223188 -0.73425779 0.00000001 -0.00000002 0.00000000
|
||
58 -0.00000000 0.00000000 -0.43494664 -0.72644454 -0.18250789
|
||
59 0.73425779 0.73223188 -0.00000000 0.00000000 0.00000000
|
||
60 0.00000000 0.00000000 3.44148634 0.44829539 3.28561783
|
||
61 0.43401956 -0.43522038 -0.00000004 -0.00000007 0.00000024
|
||
62 0.19463647 0.19409945 0.00000000 0.00000000 -0.00000000
|
||
63 0.00000003 -0.00000003 1.43291571 1.14440102 3.86009248
|
||
64 0.19409945 -0.19463647 -0.00000002 -0.00000003 0.00000011
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.22780066 0.22843093 -0.00000002 0.00000000 0.00000010
|
||
67 0.43522038 0.43401956 0.00000000 0.00000000 -0.00000000
|
||
68 0.00000003 -0.00000003 1.43291571 1.14440102 3.86009248
|
||
69 -0.22843093 -0.22780066 0.00000000 0.00000000 -0.00000000
|
||
70 0.00000005 -0.00000005 1.69516010 1.43229982 6.62300519
|
||
61 62 63 64 65
|
||
1 -8.62512910 0.00000076 0.00000949 -6.23564994 -0.00000001
|
||
2 0.65837202 -0.00000007 -0.00000082 1.55111805 0.00000000
|
||
3 6.16414958 -0.00000054 -0.00000679 3.90183146 0.00000001
|
||
4 2.11364651 -0.00000019 -0.00000232 1.72012868 0.00000000
|
||
5 -0.00000097 -0.05820214 -0.89917514 0.00000002 -0.00916974
|
||
6 0.00000001 0.89917514 -0.05820214 -0.00000000 1.02931037
|
||
7 2.41905493 -0.00000019 -0.00000234 1.15701999 0.00000000
|
||
8 0.00000667 0.39729949 6.13794957 -0.00000013 0.05916222
|
||
9 -0.00000010 -6.13794957 0.39729949 0.00000000 -6.64100251
|
||
10 -9.07263724 0.00000069 0.00000862 -5.97306934 -0.00000000
|
||
11 -0.00000045 -0.02701660 -0.41738412 0.00000001 -0.00530604
|
||
12 0.00000001 0.41738412 -0.02701660 -0.00000000 0.59560650
|
||
13 -0.05968270 0.00000001 0.00000007 0.40248245 0.00000000
|
||
14 0.55443176 -0.00000005 -0.00000061 0.30321854 0.00000000
|
||
15 0.00000000 -0.00000001 0.00000000 0.00000000 -0.00000001
|
||
16 0.00000002 0.00127011 0.01962221 -0.00000001 -0.00027559
|
||
17 0.55443176 -0.00000005 -0.00000062 0.30321854 0.00000000
|
||
18 -0.00000000 -0.01962221 0.00127011 0.00000000 0.03093551
|
||
19 0.22668731 -0.00000002 -0.00000025 0.33118135 0.00000000
|
||
20 -0.75401302 0.00000007 0.00000081 -0.34544598 -0.00000000
|
||
21 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
||
22 -0.00000003 -0.00156407 -0.02416360 0.00000001 -0.00046734
|
||
23 -0.75401302 0.00000007 0.00000082 -0.34544598 -0.00000000
|
||
24 0.00000000 0.02416360 -0.00156407 0.00000000 0.05245931
|
||
25 -2.84779134 0.00000023 0.00000288 -0.55426191 -0.00000000
|
||
26 -0.00000381 -0.22676352 -3.50330934 0.00000007 -0.03221469
|
||
27 0.00000003 1.56672756 -0.10141173 -0.00000000 1.61717912
|
||
28 1.76527890 -0.00000013 -0.00000165 1.64629464 0.00000000
|
||
29 -0.00000170 -0.10141173 -1.56672756 0.00000003 -0.01440685
|
||
30 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000
|
||
31 -0.00000164 -0.09775746 -1.51027216 0.00000003 -0.01602604
|
||
32 0.00000006 3.50330934 -0.22676352 -0.00000000 3.61612245
|
||
33 1.76527890 -0.00000013 -0.00000165 1.64629464 0.00000000
|
||
34 0.00000002 1.51027216 -0.09775746 -0.00000000 1.79893424
|
||
35 2.68911546 -0.00000020 -0.00000245 3.05892895 0.00000000
|
||
36 8.62512910 -0.00000076 -0.00000949 -6.23564994 -0.00000001
|
||
37 -0.65837202 0.00000007 0.00000082 1.55111805 0.00000000
|
||
38 -6.16414958 0.00000054 0.00000679 3.90183146 0.00000001
|
||
39 -2.11364651 0.00000019 0.00000232 1.72012868 0.00000000
|
||
40 -0.00000097 -0.05820214 -0.89917514 -0.00000002 0.00916974
|
||
41 0.00000001 0.89917514 -0.05820214 0.00000000 -1.02931037
|
||
42 2.41905493 -0.00000019 -0.00000234 -1.15701999 -0.00000000
|
||
43 0.00000667 0.39729949 6.13794957 0.00000013 -0.05916222
|
||
44 -0.00000010 -6.13794957 0.39729949 -0.00000000 6.64100251
|
||
45 -9.07263724 0.00000069 0.00000862 5.97306934 0.00000000
|
||
46 -0.00000045 -0.02701660 -0.41738412 -0.00000001 0.00530604
|
||
47 0.00000001 0.41738412 -0.02701660 0.00000000 -0.59560650
|
||
48 -0.05968270 0.00000001 0.00000007 -0.40248245 0.00000000
|
||
49 -0.55443176 0.00000005 0.00000061 0.30321854 0.00000000
|
||
50 0.00000000 0.00000001 -0.00000000 0.00000000 -0.00000001
|
||
51 -0.00000002 -0.00127011 -0.01962221 -0.00000001 -0.00027559
|
||
52 -0.55443176 0.00000005 0.00000062 0.30321854 0.00000000
|
||
53 0.00000000 0.01962221 -0.00127011 0.00000000 0.03093551
|
||
54 -0.22668731 0.00000002 0.00000025 0.33118135 0.00000000
|
||
55 0.75401302 -0.00000007 -0.00000081 -0.34544598 -0.00000000
|
||
56 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.00000003 0.00156407 0.02416360 0.00000001 -0.00046734
|
||
58 0.75401302 -0.00000007 -0.00000082 -0.34544598 -0.00000000
|
||
59 -0.00000000 -0.02416360 0.00156407 0.00000000 0.05245931
|
||
60 2.84779134 -0.00000023 -0.00000288 -0.55426191 -0.00000000
|
||
61 -0.00000381 -0.22676352 -3.50330934 -0.00000007 0.03221469
|
||
62 0.00000003 1.56672756 -0.10141173 0.00000000 -1.61717912
|
||
63 1.76527890 -0.00000013 -0.00000165 -1.64629464 -0.00000000
|
||
64 -0.00000170 -0.10141173 -1.56672756 -0.00000003 0.01440685
|
||
65 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -0.00000164 -0.09775746 -1.51027216 -0.00000003 0.01602604
|
||
67 0.00000006 3.50330934 -0.22676352 0.00000000 -3.61612245
|
||
68 1.76527890 -0.00000013 -0.00000165 -1.64629464 -0.00000000
|
||
69 0.00000002 1.51027216 -0.09775746 0.00000000 -1.79893424
|
||
70 2.68911546 -0.00000020 -0.00000245 -3.05892895 -0.00000000
|
||
66 67 68 69 70
|
||
1 0.00000034 6.94991312 -0.11636682 -54.68355341 -58.57931094
|
||
2 -0.00000010 -1.86904659 0.23923428 26.72272052 27.89576769
|
||
3 -0.00000022 -4.36907867 0.72204584 31.96344522 35.93459337
|
||
4 -0.00000009 -1.87529717 0.32065830 15.50444538 16.25484929
|
||
5 1.02931037 -0.00000003 0.00000000 0.00000000 0.00000000
|
||
6 0.00916974 0.00000000 0.00000000 0.00000000 0.00000000
|
||
7 -0.00000002 0.07614742 -1.51358775 0.11195187 0.64518277
|
||
8 -6.64100251 0.00000019 -0.00000001 -0.00000001 -0.00000001
|
||
9 -0.05916222 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
10 0.00000004 -2.44243746 4.04117899 -0.26760571 -2.67897276
|
||
11 0.59560650 -0.00000002 0.00000000 0.00000000 0.00000000
|
||
12 0.00530604 0.00000000 0.00000000 0.00000000 0.00000000
|
||
13 0.00000000 0.38987850 1.34329405 -0.04874358 0.98133133
|
||
14 -0.00000001 -0.07399819 0.16159126 -3.53160326 -3.74171481
|
||
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
16 0.03093551 -0.00000000 -0.00000001 0.00000000 0.00000000
|
||
17 0.00000000 -0.07399819 0.16159126 -3.53160326 -3.74171481
|
||
18 0.00027559 0.00000000 0.00000000 0.00000000 0.00000000
|
||
19 -0.00000002 -0.76311733 0.86059483 -3.57618753 -3.50193048
|
||
20 0.00000002 0.21362479 0.15974598 -3.27313593 -3.65315768
|
||
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
22 0.05245931 -0.00000000 0.00000000 -0.00000000 0.00000000
|
||
23 0.00000002 0.21362479 0.15974598 -3.27313593 -3.65315768
|
||
24 0.00046734 0.00000000 0.00000000 0.00000000 0.00000000
|
||
25 0.00000004 0.86894157 2.94533049 -3.35260980 -3.33039715
|
||
26 3.61612245 -0.00000010 0.00000000 0.00000001 0.00000000
|
||
27 0.01440685 0.00000000 0.00000000 0.00000000 0.00000000
|
||
28 -0.00000002 0.40683682 -0.70373140 0.16987062 0.45106107
|
||
29 1.61717912 -0.00000004 0.00000000 0.00000000 0.00000000
|
||
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
31 1.79893424 -0.00000006 0.00000000 0.00000000 0.00000000
|
||
32 0.03221469 0.00000000 0.00000000 0.00000000 0.00000000
|
||
33 -0.00000002 0.40683682 -0.70373140 0.16987062 0.45106107
|
||
34 0.01602604 0.00000000 0.00000000 0.00000000 0.00000000
|
||
35 -0.00000001 1.65996701 0.76962457 0.06563907 1.67619781
|
||
36 0.00000034 6.94991312 0.11636682 -54.68355341 58.57931094
|
||
37 -0.00000010 -1.86904659 -0.23923428 26.72272052 -27.89576769
|
||
38 -0.00000022 -4.36907867 -0.72204584 31.96344522 -35.93459337
|
||
39 -0.00000009 -1.87529717 -0.32065830 15.50444538 -16.25484929
|
||
40 -1.02931037 0.00000003 0.00000000 -0.00000000 0.00000000
|
||
41 -0.00916974 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
42 0.00000002 -0.07614742 -1.51358775 -0.11195187 0.64518277
|
||
43 6.64100251 -0.00000019 -0.00000001 0.00000001 -0.00000001
|
||
44 0.05916222 0.00000000 0.00000000 -0.00000000 0.00000000
|
||
45 -0.00000004 2.44243746 4.04117899 0.26760571 -2.67897276
|
||
46 -0.59560650 0.00000002 0.00000000 -0.00000000 0.00000000
|
||
47 -0.00530604 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
48 -0.00000000 -0.38987850 1.34329405 0.04874358 0.98133133
|
||
49 -0.00000001 -0.07399819 -0.16159126 -3.53160326 3.74171481
|
||
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
51 0.03093551 -0.00000000 0.00000001 0.00000000 0.00000000
|
||
52 0.00000000 -0.07399819 -0.16159126 -3.53160326 3.74171481
|
||
53 0.00027559 0.00000000 0.00000000 0.00000000 0.00000000
|
||
54 -0.00000002 -0.76311733 -0.86059483 -3.57618753 3.50193048
|
||
55 0.00000002 0.21362479 -0.15974598 -3.27313593 3.65315768
|
||
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
57 0.05245931 -0.00000000 -0.00000000 -0.00000000 0.00000000
|
||
58 0.00000002 0.21362479 -0.15974598 -3.27313593 3.65315768
|
||
59 0.00046734 0.00000000 0.00000000 0.00000000 0.00000000
|
||
60 0.00000004 0.86894157 -2.94533049 -3.35260980 3.33039715
|
||
61 -3.61612245 0.00000010 0.00000000 -0.00000001 0.00000000
|
||
62 -0.01440685 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
63 0.00000002 -0.40683682 -0.70373140 -0.16987062 0.45106107
|
||
64 -1.61717912 0.00000004 0.00000000 -0.00000000 0.00000000
|
||
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
66 -1.79893424 0.00000006 0.00000000 -0.00000000 0.00000000
|
||
67 -0.03221469 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
68 0.00000002 -0.40683682 -0.70373140 -0.16987062 0.45106107
|
||
69 -0.01602604 -0.00000000 0.00000000 0.00000000 0.00000000
|
||
70 0.00000001 -1.65996701 0.76962457 -0.06563907 1.67619781
|
||
|
||
---------------------------------------
|
||
UHF spin-up orbital energies
|
||
---------------------------------------
|
||
1
|
||
1 -0.69024619
|
||
2 -0.33366564
|
||
3 0.20182093
|
||
4 0.28270043
|
||
5 0.38577707
|
||
6 0.38577707
|
||
7 0.59900369
|
||
8 0.64717858
|
||
9 0.64717858
|
||
10 0.96885894
|
||
11 1.06965251
|
||
12 1.18173401
|
||
13 1.64597218
|
||
14 1.64597218
|
||
15 1.73367085
|
||
16 1.86659190
|
||
17 1.86659190
|
||
18 1.97679619
|
||
19 1.97679619
|
||
20 2.09403817
|
||
21 2.09403817
|
||
22 2.29033210
|
||
23 2.29033210
|
||
24 2.37893066
|
||
25 2.83318418
|
||
26 2.95430891
|
||
27 2.95430891
|
||
28 3.06726016
|
||
29 3.09528869
|
||
30 4.15907944
|
||
31 4.32238849
|
||
32 4.36401572
|
||
33 4.36401572
|
||
34 4.52578289
|
||
35 4.52578289
|
||
36 5.22185014
|
||
37 5.57302470
|
||
38 5.57302470
|
||
39 5.82292590
|
||
40 5.82292590
|
||
41 5.89015222
|
||
42 5.89015222
|
||
43 6.16628782
|
||
44 6.16628782
|
||
45 6.77163040
|
||
46 6.85063623
|
||
47 6.85063623
|
||
48 8.04698533
|
||
49 8.04698533
|
||
50 8.21584007
|
||
51 8.21584007
|
||
52 8.34132037
|
||
53 8.34132037
|
||
54 8.37118528
|
||
55 8.37118528
|
||
56 8.45371316
|
||
57 8.45371316
|
||
58 8.61285277
|
||
59 9.04549416
|
||
60 9.48129056
|
||
61 9.60842575
|
||
62 9.62389825
|
||
63 9.62389825
|
||
64 9.69817396
|
||
65 9.80365631
|
||
66 9.80365631
|
||
67 10.25593689
|
||
68 11.56512278
|
||
69 22.64351288
|
||
70 24.95458533
|
||
|
||
---------------------------------------
|
||
UHF spin-down orbital energies
|
||
---------------------------------------
|
||
1
|
||
1 -0.02694795
|
||
2 0.14711692
|
||
3 0.27926548
|
||
4 0.44804435
|
||
5 0.46021751
|
||
6 0.46021751
|
||
7 0.69487932
|
||
8 0.71129912
|
||
9 0.71129912
|
||
10 1.02708785
|
||
11 1.15183783
|
||
12 1.27432161
|
||
13 1.71638570
|
||
14 1.71638570
|
||
15 1.83579365
|
||
16 1.91419826
|
||
17 1.91419826
|
||
18 2.05086820
|
||
19 2.05086820
|
||
20 2.15399437
|
||
21 2.15399437
|
||
22 2.33538571
|
||
23 2.33538571
|
||
24 2.45102639
|
||
25 2.88021179
|
||
26 2.99484405
|
||
27 2.99484405
|
||
28 3.15489058
|
||
29 3.16598640
|
||
30 4.21134381
|
||
31 4.37016333
|
||
32 4.41499351
|
||
33 4.41499351
|
||
34 4.57585749
|
||
35 4.57585749
|
||
36 5.26245601
|
||
37 5.61035210
|
||
38 5.61035210
|
||
39 5.86355755
|
||
40 5.86355755
|
||
41 5.92367173
|
||
42 5.92367173
|
||
43 6.19899208
|
||
44 6.19899208
|
||
45 6.82001621
|
||
46 6.88309304
|
||
47 6.88309304
|
||
48 8.09427237
|
||
49 8.09427237
|
||
50 8.26191283
|
||
51 8.26191283
|
||
52 8.38742461
|
||
53 8.38742461
|
||
54 8.40409584
|
||
55 8.40409584
|
||
56 8.49649154
|
||
57 8.49649154
|
||
58 8.65846932
|
||
59 9.09064116
|
||
60 9.51798536
|
||
61 9.66607481
|
||
62 9.67074333
|
||
63 9.67074333
|
||
64 9.75152098
|
||
65 9.84910714
|
||
66 9.84910714
|
||
67 10.30749912
|
||
68 11.60487294
|
||
69 22.65708119
|
||
70 24.96997821
|
||
|
||
Total CPU time for UHF = 1.551 seconds
|
||
|
||
|
||
AO to MO transformation... Please be patient
|
||
|
||
Total CPU time for AO to MO transformation = 15.199 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 | 0.548827 | 14.934341 |
|
||
| 2 | 0.651557 | 17.729778 |
|
||
| 3 | 0.740954 | 20.162399 |
|
||
| 4 | 0.740954 | 20.162399 |
|
||
| 5 | 0.918809 | 25.002060 |
|
||
| 6 | 0.978252 | 26.619593 |
|
||
| 7 | 1.009237 | 27.462733 |
|
||
| 8 | 1.009237 | 27.462733 |
|
||
| 9 | 1.009986 | 27.483108 |
|
||
| 10 | 1.137270 | 30.946684 |
|
||
| 11 | 1.137270 | 30.946684 |
|
||
| 12 | 1.303687 | 35.475118 |
|
||
| 13 | 1.358128 | 36.956543 |
|
||
| 14 | 1.358156 | 36.957301 |
|
||
| 15 | 1.358156 | 36.957301 |
|
||
| 16 | 1.423465 | 38.734453 |
|
||
| 17 | 1.548003 | 42.123311 |
|
||
| 18 | 1.679819 | 45.710200 |
|
||
| 19 | 1.810000 | 49.252610 |
|
||
| 20 | 1.904454 | 51.822838 |
|
||
-------------------------------------------------------------
|
||
|
||
*** 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| -18.782555 -0.733291| 0.544225 -1.362382| 0.938600 0.967329| -18.271746 -2.051163|
|
||
| 2| -9.079505 4.003255| -0.052381 -0.562316| 0.964689 0.985530| -9.130036 3.449076|
|
||
| 3| 5.491827 7.599201| -0.174503 -0.895380| 0.993484 0.968370| 5.318461 6.732142|
|
||
| 4| 7.692670 12.191908| -0.179204 -1.490522| 0.991943 0.936319| 7.514910 10.796304|
|
||
| 5| 10.497529 12.523156| -0.486664 -0.806119| 0.983630 0.972393| 10.018831 11.739291|
|
||
| 6| 10.497529 12.523156| -0.486664 -0.806119| 0.983630 0.972393| 10.018831 11.739291|
|
||
| 7| 16.299721 18.908629| -0.490619 -1.105242| 0.983613 0.614127| 15.817141 18.229871|
|
||
| 8| 17.610626 19.355435| -0.419214 -2.414324| 0.983600 0.106132| 17.198287 19.099198|
|
||
| 9| 17.610626 19.355435| -0.419214 -2.414324| 0.983600 0.106132| 17.198287 19.099198|
|
||
| 10| 26.363995 27.948484| -0.497741 -0.812184| 0.841131 0.859284| 25.945329 27.250588|
|
||
| 11| 29.106727 31.343104| -1.103893 -1.955630| 0.833046 0.416474| 28.187134 30.528636|
|
||
| 12| 32.156620 34.676057| -1.268181 -2.911247| 0.415964 0.213285| 31.629103 34.055133|
|
||
| 13| 44.789184 46.705234| -0.606035 -1.309020| 0.272133 0.581645| 44.624262 45.943849|
|
||
| 14| 44.789184 46.705234| -0.606035 -1.309020| 0.272133 0.581645| 44.624262 45.943849|
|
||
| 15| 47.175587 49.954490| -0.974501 -1.330266| 0.813359 0.611735| 46.382968 49.140720|
|
||
| 16| 50.792553 52.087988| -0.647209 -0.706470| 0.899761 0.898857| 50.210220 51.452972|
|
||
| 17| 50.792553 52.087988| -0.647209 -0.706470| 0.899761 0.898857| 50.210220 51.452972|
|
||
| 18| 53.791364 55.806966| -1.361770 -1.463867| 0.686736 0.598041| 52.856187 54.931514|
|
||
| 19| 53.791364 55.806966| -1.361770 -1.463867| 0.686736 0.598041| 52.856187 54.931514|
|
||
| 20| 56.981681 58.613172| -0.698586 -0.748858| 0.875067 0.706940| 56.370371 58.083774|
|
||
| 21| 56.981681 58.613172| -0.698586 -0.748858| 0.875067 0.706940| 56.370371 58.083774|
|
||
| 22| 62.323111 63.549082| -0.974306 -0.983005| 0.903531 0.901178| 61.442795 62.663219|
|
||
| 23| 62.323111 63.549082| -0.974306 -0.983005| 0.903531 0.901178| 61.442795 62.663219|
|
||
| 24| 64.734001 66.695825| -1.664549 -1.964106| 0.498052 0.412227| 63.904969 65.886167|
|
||
| 25| 77.094868 78.374555| -0.188541 1.149556| 0.438601 0.167500| 77.012174 78.567106|
|
||
| 26| 80.390840 81.493858| -2.214483 -1.792694| 0.680095 0.549478| 78.884781 80.508812|
|
||
| 27| 80.390840 81.493858| -2.214483 -1.792694| 0.680095 0.549478| 78.884781 80.508812|
|
||
| 28| 83.464400 85.848945| -6.411715 -3.817115| 0.073333 0.100911| 82.994209 85.463758|
|
||
| 29| 84.227095 86.150878| -4.581749 -3.428061| 0.049918 0.060312| 83.998383 85.944124|
|
||
| 30| 113.174316 114.596502| 0.406292 1.150515| 0.283800 0.327375| 113.289622 114.973152|
|
||
| 31| 117.618182 118.918201| -0.783356 -0.939120| 0.510651 0.230474| 117.218160 118.701759|
|
||
| 32| 118.750916 120.138093| -0.793046 -0.728680| 0.683678 0.746200| 118.208728 119.594351|
|
||
| 33| 118.750916 120.138093| -0.793046 -0.728680| 0.683678 0.746200| 118.208728 119.594351|
|
||
| 34| 123.152825 124.515424| -0.797557 -0.896413| 0.863275 0.803235| 122.464314 123.795394|
|
||
| 35| 123.152825 124.515424| -0.797557 -0.896413| 0.863275 0.803235| 122.464314 123.795394|
|
||
| 36| 142.093780 143.198722| -2.051846 -2.156334| 0.594611 0.488225| 140.873730 142.145946|
|
||
| 37| 151.649726 152.665457| -0.917162 -0.873726| 0.752935 0.771555| 150.959163 151.991329|
|
||
| 38| 151.649726 152.665457| -0.917162 -0.873726| 0.752935 0.771555| 150.959163 151.991329|
|
||
| 39| 158.449884 159.555528| -0.488464 -1.496398| 0.652468 0.233337| 158.131177 159.206364|
|
||
| 40| 158.449884 159.555528| -0.488464 -1.496398| 0.652468 0.233337| 158.131177 159.206364|
|
||
| 41| 160.279206 161.191318| -0.887677 -0.913491| 0.918535 0.924711| 159.463843 160.346602|
|
||
| 42| 160.279206 161.191318| -0.887677 -0.913491| 0.918535 0.924711| 159.463843 160.346602|
|
||
| 43| 167.793238 168.683167| -1.048681 -1.421617| 0.938210 0.493968| 166.809355 167.980933|
|
||
| 44| 167.793238 168.683167| -1.048681 -1.421617| 0.938210 0.493968| 166.809355 167.980933|
|
||
| 45| 184.265449 185.582094| -7.125069 -5.282211| 0.050065 0.085595| 183.908732 185.129963|
|
||
| 46| 186.415307 187.298502| 0.090367 1.243841| 0.421090 0.177108| 186.453360 187.518796|
|
||
| 47| 186.415307 187.298502| 0.090367 1.243841| 0.421090 0.177108| 186.453360 187.518796|
|
||
| 48| 218.969624 220.256370| -1.442118 -1.272181| 0.284077 0.181252| 218.559952 220.025784|
|
||
| 49| 218.969624 220.256370| -1.442118 -1.272181| 0.284077 0.181252| 218.559952 220.025784|
|
||
| 50| 223.564396 224.818099| -0.939669 -1.828024| 0.154525 0.451687| 223.419193 223.992405|
|
||
| 51| 223.564396 224.818099| -0.939669 -1.828024| 0.154525 0.451687| 223.419193 223.992405|
|
||
| 52| 226.978888 228.233449| -1.646571 -1.722766| 0.701030 0.649723| 225.824593 227.114128|
|
||
| 53| 226.978888 228.233449| -1.646571 -1.722766| 0.701030 0.649723| 225.824593 227.114128|
|
||
| 54| 227.791554 228.687096| -0.726975 -0.604495| 0.855191 0.756407| 227.169851 228.229852|
|
||
| 55| 227.791554 228.687096| -0.726975 -0.604495| 0.855191 0.756407| 227.169851 228.229852|
|
||
| 56| 230.037252 231.201311| -1.794257 -1.959662| 0.882052 0.872061| 228.454624 229.492367|
|
||
| 57| 230.037252 231.201311| -1.794257 -1.959662| 0.882052 0.872061| 228.454624 229.492367|
|
||
| 58| 234.367661 235.608951| -1.394233 -1.424119| 0.726392 0.736815| 233.354902 234.559639|
|
||
| 59| 246.140433 247.368946| -2.058574 -1.933974| 0.545669 0.207864| 245.017132 246.966943|
|
||
| 60| 257.999057 258.997574| -2.609329 -2.564122| 0.310613 0.291958| 257.188566 258.248957|
|
||
| 61| 261.458582 263.027293| -1.977818 -0.271814| 0.086433 0.088579| 261.287634 263.003216|
|
||
| 62| 261.879610 263.154330| -1.853916 -1.739875| 0.618858 0.568729| 260.732299 262.164813|
|
||
| 63| 261.879610 263.154330| -1.853916 -1.739875| 0.618858 0.568729| 260.732299 262.164813|
|
||
| 64| 263.900755 265.352402| -2.142177 -2.367815| 0.681751 0.522194| 262.440325 264.115944|
|
||
| 65| 266.771076 268.007856| -1.857698 -2.002299| 0.804218 0.735377| 265.277083 266.535411|
|
||
| 66| 266.771076 268.007856| -1.857698 -2.002299| 0.804218 0.735377| 265.277083 266.535411|
|
||
| 67| 279.078258 280.481337| -3.256804 -3.341959| 0.575136 0.519911| 277.205153 278.743816|
|
||
| 68| 314.703020 315.784677| -3.149516 -2.611685| 0.310236 0.427954| 313.725927 314.666997|
|
||
| 69| 616.161370 616.530582| -0.941714 -0.942912| 0.964175 0.963794| 615.253393 615.621809|
|
||
| 70| 679.048854 679.467716| -0.031197 -0.039880| 0.835694 0.837008| 679.022783 679.434336|
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
UG0W0 HOMO energy: 0.000000 eV
|
||
UG0W0 LUMO energy: -2.051163 eV
|
||
UG0W0 HOMO-LUMO gap : -2.051163 eV
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
RPA@UG0W0 total energy : -0.953785 au
|
||
RPA@UG0W0 correlation energy: -0.030984 au
|
||
GM@UG0W0 total energy : -0.981603 au
|
||
GM@UG0W0 correlation energy: -0.058802 au
|
||
--------------------------------------------------------------------------------------------------------------------------------
|
||
|
||
|
||
-------------------------------------------------------------
|
||
BSE@UGW calculation: spin-flip manifold
|
||
-------------------------------------------------------------
|
||
| State | Excitation energy (au) | Excitation energy (eV) |
|
||
-------------------------------------------------------------
|
||
| 1 | -0.161657 | -4.398921 |
|
||
| 2 | 0.025567 | 0.695704 |
|
||
| 3 | 0.214862 | 5.846702 |
|
||
| 4 | 0.288209 | 7.842561 |
|
||
| 5 | 0.405832 | 11.043257 |
|
||
| 6 | 0.413151 | 11.242402 |
|
||
| 7 | 0.413151 | 11.242402 |
|
||
| 8 | 0.454833 | 12.376624 |
|
||
| 9 | 0.618514 | 16.830625 |
|
||
| 10 | 0.641807 | 17.464470 |
|
||
| 11 | 0.641807 | 17.464470 |
|
||
| 12 | 0.661069 | 17.988605 |
|
||
| 13 | 0.734695 | 19.992059 |
|
||
| 14 | 0.775419 | 21.100222 |
|
||
| 15 | 0.775419 | 21.100222 |
|
||
| 16 | 0.932094 | 25.363581 |
|
||
| 17 | 1.030451 | 28.040011 |
|
||
| 18 | 1.030451 | 28.040011 |
|
||
| 19 | 1.055235 | 28.714400 |
|
||
| 20 | 1.094191 | 29.774462 |
|
||
-------------------------------------------------------------
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 1: -4.398921 eV f = 0.0000 <S**2> = 0.0208
|
||
-------------------------------------------------------------
|
||
1A -> 2B = 0.123111
|
||
1A -> 4B = -0.129290
|
||
2A -> 1B = 0.956698
|
||
2A -> 3B = 0.220328
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 2: 0.695704 eV f = 0.0000 <S**2> = 1.9964
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.679889
|
||
1A -> 3B = -0.207558
|
||
2A -> 2B = -0.587717
|
||
2A -> 4B = 0.375246
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 3: 5.846702 eV f = 0.0000 <S**2> = 0.1785
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.617755
|
||
1A -> 3B = -0.196181
|
||
2A -> 2B = 0.753391
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 4: 7.842561 eV f = 0.0000 <S**2> = 0.9805
|
||
-------------------------------------------------------------
|
||
1A -> 4B = -0.128512
|
||
2A -> 1B = -0.244406
|
||
2A -> 3B = 0.954618
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 5: 11.043257 eV f = 0.0000 <S**2> = 0.8629
|
||
-------------------------------------------------------------
|
||
1A -> 1B = 0.308488
|
||
1A -> 3B = -0.140142
|
||
2A -> 2B = 0.278229
|
||
2A -> 4B = 0.891369
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 6: 11.242402 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 8B = -0.108165
|
||
2A -> 5B = 0.992255
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 7: 11.242402 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 9B = -0.108165
|
||
2A -> 6B = -0.992255
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 8: 12.376624 eV f = 0.0000 <S**2> = 0.1316
|
||
-------------------------------------------------------------
|
||
1A -> 2B = 0.862047
|
||
1A -> 4B = -0.374590
|
||
2A -> 1B = -0.149486
|
||
2A -> 7B = -0.285520
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 9: 16.830625 eV f = 0.0000 <S**2> = 0.9899
|
||
-------------------------------------------------------------
|
||
1A -> 1B = -0.243152
|
||
1A -> 3B = 0.931473
|
||
2A -> 4B = 0.212729
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 10: 17.464470 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 6B = 0.654750
|
||
2A -> 9B = 0.751941
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 11: 17.464470 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 5B = 0.654750
|
||
2A -> 8B = -0.751941
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 12: 17.988605 eV f = 0.0000 <S**2> = 0.9378
|
||
-------------------------------------------------------------
|
||
1A -> 2B = 0.326101
|
||
2A -> 7B = 0.937243
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 13: 19.992059 eV f = 0.0000 <S**2> = 0.9420
|
||
-------------------------------------------------------------
|
||
1A -> 2B = -0.367506
|
||
1A -> 4B = -0.890068
|
||
1A -> 12B = -0.102278
|
||
2A -> 3B = -0.147388
|
||
2A -> 7B = 0.157638
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 14: 21.100222 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 6B = -0.752119
|
||
2A -> 9B = 0.656097
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 15: 21.100222 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 5B = 0.752119
|
||
2A -> 8B = 0.656097
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 16: 25.363581 eV f = 0.0000 <S**2> = 0.9835
|
||
-------------------------------------------------------------
|
||
1A -> 3B = -0.110743
|
||
1A -> 7B = 0.738766
|
||
2A -> 10B = -0.657085
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 17: 28.040011 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 9B = 0.991063
|
||
2A -> 6B = -0.110614
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 18: 28.040011 eV f = 0.0000 <S**2> = 1.0000
|
||
-------------------------------------------------------------
|
||
1A -> 8B = 0.991063
|
||
2A -> 5B = 0.110614
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 19: 28.714400 eV f = 0.0000 <S**2> = 0.9988
|
||
-------------------------------------------------------------
|
||
1A -> 7B = -0.655553
|
||
2A -> 10B = -0.740157
|
||
|
||
-------------------------------------------------------------
|
||
Excitation n. 20: 29.774462 eV f = 0.0000 <S**2> = 0.9945
|
||
-------------------------------------------------------------
|
||
1A -> 4B = 0.106152
|
||
1A -> 12B = -0.155776
|
||
2A -> 11B = 0.974966
|
||
|
||
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 = -0.9228005887
|
||
-------------------------------------------------------------------------------
|
||
|
||
Total CPU time for G0W0 = 0.482 seconds
|
||
|
||
Total CPU time for QuAcK = 18.393 seconds
|
||
|