PTEROSOR/sfBSE
10
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
9fa1f72f7f
sfBSE/output/H2/BSE/h2_bse_70.out

2716 lines
197 KiB
Plaintext
Raw Normal View History

BSE output H2
2021-01-18 09:35:59 +01:00
204 significant shell pairs computed in 0.000101 seconds
0
Computed Electron repulsion integrals Integrals in parallel in 2.538458 seconds
******************************************************************************************
* QuAcK QuAcK QuAcK *
* __ __ __ __ __ __ __ __ __ *
* <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ *
* ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / *
*|--------------------------------------------------------------------------------------|*
******************************************************************************************
----------------------
Number of atoms 2
----------------------
----------------------
Number of spin-up electron 1
Number of spin-down electron 1
Total number of electron 2
----------------------
----------------------
Number of core electron 0
Number of Rydberg electron 0
----------------------
------------------
Molecular geometry
------------------
Atom n. 1
Z = 1.0000000000
Atom coordinates: 0.0000000000 0.0000000000 0.0000000000
Atom n. 2
Z = 1.0000000000
Atom coordinates: 0.0000000000 0.0000000000 7.4644181956
------------------
Nuclear repulsion energy = 0.1339689141
------------------
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 = 0.729 seconds
Lowdin orthogonalization
************************************************
* Unrestricted Hartree-Fock calculation *
************************************************
----------------------------------------------------------
| # | E(UHF) | Ex(UHF) | Conv |
----------------------------------------------------------
| 1 | -0.7745732793 | -0.3852943764 | 1.000000 |
| 2 | -0.8711397231 | -0.4240378349 | 0.100369 |
| 3 | -0.9758239248 | -0.5511312130 | 0.058538 |
| 4 | -0.9973251167 | -0.5996726629 | 0.016377 |
| 5 | -0.9996015237 | -0.6153277202 | 0.006289 |
| 6 | -0.9998594667 | -0.6211866466 | 0.002523 |
| 7 | -0.9998931233 | -0.6234780269 | 0.001005 |
| 8 | -0.9998979305 | -0.6243813180 | 0.000399 |
| 9 | -0.9998986483 | -0.6247375928 | 0.000158 |
| 10 | -0.9998987577 | -0.6248780108 | 0.000062 |
| 11 | -0.9998987744 | -0.6249333102 | 0.000025 |
| 12 | -0.9998987770 | -0.6249550747 | 0.000010 |
| 13 | -0.9998987774 | -0.6249636368 | 0.000004 |
| 14 | -0.9998987775 | -0.6249670041 | 0.000001 |
| 15 | -0.9998987775 | -0.6249683281 | 0.000001 |
| 16 | -0.9998987775 | -0.6249688485 | 0.000000 |
| 17 | -0.9998987775 | -0.6249690531 | 0.000000 |
----------------------------------------------------------
-------------------------------------------------
Summary
-------------------------------------------------
One-electron energy: -1.2678556054 au
One-electron a energy: -0.6339278027 au
One-electron b energy: -0.6339278027 au
Kinetic energy: 0.9997966121 au
Kinetic a energy: 0.4998983060 au
Kinetic b energy: 0.4998983060 au
Potential energy: -2.2676522175 au
Potential a energy: -1.1338261087 au
Potential b energy: -1.1338261087 au
-------------------------------------------------
Two-electron energy: 0.1339879138 au
Two-electron aa energy: -0.0000000000 au
Two-electron ab energy: 0.1339879138 au
Two-electron bb energy: -0.0000000000 au
Hartree energy: 0.7589569669 au
Hartree aa energy: 0.3124845266 au
Hartree ab energy: 0.1339879138 au
Hartree bb energy: 0.3124845266 au
Exchange energy: -0.6249690531 au
Exchange a energy: -0.3124845266 au
Exchange b energy: -0.3124845266 au
-------------------------------------------------
Electronic energy: -1.1338676916 au
Nuclear repulsion: 0.1339689141 au
UHF energy: -0.9998987775 au
-------------------------------------------------
UHF HOMO a energy: -13.604057 eV
UHF LUMO a energy: 1.237147 eV
UHF HOMOa-LUMOa gap: 14.841204 eV
-------------------------------------------------
UHF HOMO b energy: -13.604057 eV
UHF LUMO b energy: 1.237147 eV
UHF HOMOb-LUMOb gap : 14.841204 eV
-------------------------------------------------
S (exact) : 1.000000
S : 2.235799
<S**2> (exact) : 0.000000
<S**2> : 0.999700
-------------------------------------------------
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 0.00268094 0.72395602 0.11151350 0.01750409 0.00000000
2 -0.00016341 0.02150207 -0.03548922 -0.35173122 0.00000000
3 -0.00220705 -0.78801629 0.23557226 2.92546407 0.00000000
4 0.00077679 0.87440473 -0.06768578 -1.77434373 0.00000000
5 0.00000000 0.00000000 0.00000000 0.00000000 0.01931962
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00552878
7 -0.00015803 0.00138546 -0.07981945 0.01802812 0.00000000
8 0.00000000 0.00000000 0.00000000 0.00000000 -0.07034217
9 0.00000000 0.00000000 0.00000000 0.00000000 -0.02013014
10 0.00066219 -0.00503064 0.29044553 -0.06568238 0.00000000
11 0.00000000 0.00000000 0.00000000 0.00000000 0.03337566
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00955126
13 -0.00002207 0.00223549 -0.13411936 0.03584555 0.00000000
14 0.00002964 0.00900967 -0.00233912 -0.02515171 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00003976
17 0.00002964 0.00900967 -0.00233912 -0.02515171 0.00000000
18 0.00000000 0.00000000 0.00000000 0.00000000 -0.00001138
19 0.00005923 0.00898547 -0.00133001 -0.02537883 0.00000000
20 0.00027930 0.08006598 -0.02520224 -0.32072043 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00016023
23 0.00027930 0.08006598 -0.02520224 -0.32072043 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00004585
25 0.00020730 0.08018259 -0.03002611 -0.31955357 0.00000000
26 0.00000000 0.00000000 0.00000000 0.00000000 0.02841292
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00363632
28 -0.00011094 0.00091017 -0.05240231 0.01168548 0.00000000
29 0.00000000 0.00000000 0.00000000 0.00000000 0.01270664
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.00000000 0.01271440
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00813105
33 -0.00011094 0.00091017 -0.05240231 0.01168548 0.00000000
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00363854
35 -0.00025756 0.00204010 -0.11738070 0.02617626 0.00000000
36 1.01080567 -0.02886790 -0.06310860 0.05315846 0.00000000
37 -0.00495723 0.00919189 -0.23109378 0.05943414 0.00000000
38 -0.00754881 -0.11905055 2.51131803 -0.60232446 0.00000000
39 -0.00271245 0.08524355 -1.94355418 0.47318850 0.00000000
40 0.00000000 0.00000000 0.00000000 0.00000000 0.70270370
41 0.00000000 0.00000000 0.00000000 0.00000000 0.20109591
42 0.00000825 -0.02246591 0.00310334 0.18587028 0.00000000
43 0.00000000 0.00000000 0.00000000 0.00000000 -2.53660066
44 0.00000000 0.00000000 0.00000000 0.00000000 -0.72591053
45 -0.00003024 0.08083525 -0.01122268 -0.67145299 0.00000000
46 0.00000000 0.00000000 0.00000000 0.00000000 1.43940619
47 0.00000000 0.00000000 0.00000000 0.00000000 0.41192141
48 0.00000227 -0.03971459 0.00522372 0.35361588 0.00000000
49 0.00071915 0.00134155 -0.02327205 0.00489825 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000050
52 0.00071915 0.00134155 -0.02327205 0.00489825 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000014
54 0.00071896 0.00099407 -0.02323815 0.00619255 0.00000000
55 0.00093462 0.01212185 -0.26624872 0.06621234 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000142
58 0.00093462 0.01212185 -0.26624872 0.06621234 0.00000000
59 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000041
60 0.00093594 0.01396888 -0.26640357 0.05975037 0.00000000
61 0.00000000 0.00000000 0.00000000 0.00000000 1.02263300
62 0.00000000 0.00000000 0.00000000 0.00000000 0.13087774
63 0.00000583 -0.01470996 0.00204134 0.12136414 0.00000000
64 0.00000000 0.00000000 0.00000000 0.00000000 0.45733538
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 0.00000000 0.45733555
67 0.00000000 0.00000000 0.00000000 0.00000000 0.29265153
68 0.00000583 -0.01470996 0.00204134 0.12136414 0.00000000
69 0.00000000 0.00000000 0.00000000 0.00000000 0.13087779
70 0.00001291 -0.03297275 0.00457187 0.27166171 0.00000000
6 7 8 9 10
1 0.00000000 -0.07868968 0.00000000 0.00000000 0.04836412
2 0.00000000 0.08613252 0.00000000 0.00000000 -0.03093609
3 0.00000000 -0.67955305 0.00000000 0.00000000 0.22450467
4 0.00000000 0.55930320 0.00000000 0.00000000 -0.22859582
5 -0.00552878 0.00000000 -0.10740170 -0.78817355 0.00000000
6 0.01931962 0.00000000 -0.78817355 0.10740170 0.00000000
7 0.00000000 -0.26713016 0.00000000 0.00000000 -0.73722416
8 0.02013014 0.00000000 0.39118852 2.87075944 0.00000000
9 -0.07034217 0.00000000 2.87075944 -0.39118852 0.00000000
10 0.00000000 0.97277464 0.00000000 0.00000000 2.68519334
11 -0.00955126 0.00000000 -0.20930308 -1.53598265 0.00000000
12 0.03337566 0.00000000 -1.53598265 0.20930308 0.00000000
13 0.00000000 -0.47082515 0.00000000 0.00000000 -1.46533006
14 0.00000000 0.00397489 0.00000000 0.00000000 -0.00062178
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00001138 0.00000000 -0.00000015 -0.00000108 0.00000000
17 0.00000000 0.00397489 0.00000000 0.00000000 -0.00062178
18 -0.00003976 0.00000000 -0.00000108 0.00000015 0.00000000
19 0.00000000 0.00459326 0.00000000 0.00000000 -0.00117049
20 0.00000000 0.06408567 0.00000000 0.00000000 -0.01854403
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.00004585 0.00000000 0.00000071 0.00000522 0.00000000
23 0.00000000 0.06408567 0.00000000 0.00000000 -0.01854403
24 0.00016023 0.00000000 0.00000522 -0.00000071 0.00000000
25 0.00000000 0.06155431 0.00000000 0.00000000 -0.01607421
26 -0.00813105 0.00000000 -0.15667039 -1.14973464 0.00000000
27 0.01270664 0.00000000 -0.51417696 0.07006513 0.00000000
28 0.00000000 -0.17540491 0.00000000 0.00000000 -0.48034264
29 -0.00363632 0.00000000 -0.07006513 -0.51417696 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -0.00363854 0.00000000 -0.07006511 -0.51417686 0.00000000
32 0.02841292 0.00000000 -1.14973464 0.15667039 0.00000000
33 0.00000000 -0.17540491 0.00000000 0.00000000 -0.48034264
34 0.01271440 0.00000000 -0.51417686 0.07006511 0.00000000
35 0.00000000 -0.39233884 0.00000000 0.00000000 -1.07397093
36 0.00000000 -0.02174739 0.00000000 0.00000000 -0.14701373
37 0.00000000 -0.00835402 0.00000000 0.00000000 0.00552869
38 0.00000000 0.05848662 0.00000000 0.00000000 -0.10711031
39 0.00000000 -0.02818734 0.00000000 0.00000000 0.33039970
40 -0.20109591 0.00000000 0.00166426 0.01221324 0.00000000
41 0.70270370 0.00000000 0.01221324 -0.00166426 0.00000000
42 0.00000000 0.68046888 0.00000000 0.00000000 -0.16212481
43 0.72591053 0.00000000 -0.00598782 -0.04394194 0.00000000
44 -2.53660066 0.00000000 -0.04394194 0.00598782 0.00000000
45 0.00000000 -2.45631306 0.00000000 0.00000000 0.58309495
46 -0.41192141 0.00000000 0.00412456 0.03026830 0.00000000
47 1.43940619 0.00000000 0.03026830 -0.00412456 0.00000000
48 0.00000000 1.39399958 0.00000000 0.00000000 -0.40178726
49 0.00000000 -0.00038768 0.00000000 0.00000000 -0.00130948
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.00000014 0.00000000 -0.00000609 -0.00004471 0.00000000
52 0.00000000 -0.00038768 0.00000000 0.00000000 -0.00130948
53 0.00000050 0.00000000 -0.00004471 0.00000609 0.00000000
54 0.00000000 -0.00077197 0.00000000 0.00000000 -0.00037849
55 0.00000000 -0.00817500 0.00000000 0.00000000 -0.00340802
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000041 0.00000000 0.00002576 0.00018902 0.00000000
58 0.00000000 -0.00817500 0.00000000 0.00000000 -0.00340802
59 -0.00000142 0.00000000 0.00018902 -0.00002576 0.00000000
60 0.00000000 -0.00614584 0.00000000 0.00000000 -0.00753605
61 -0.29265153 0.00000000 0.00238546 0.01750584 0.00000000
62 0.45733538 0.00000000 0.00782885 -0.00106681 0.00000000
63 0.00000000 0.44294713 0.00000000 0.00000000 -0.10403878
64 -0.13087774 0.00000000 0.00106681 0.00782885 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.13087779 0.00000000 0.00106561 0.00782001 0.00000000
67 1.02263300 0.00000000 0.01750584 -0.00238546 0.00000000
68 0.00000000 0.44294713 0.00000000 0.00000000 -0.10403878
69 0.45733555 0.00000000 0.00782001 -0.00106561 0.00000000
70 0.00000000 0.99037648 0.00000000 0.00000000 -0.23245171
11 12 13 14 15
1 0.00567126 -2.99241161 0.09801723 0.00000000 0.00000000
2 -0.01283750 -1.28589774 0.13379400 0.00000000 0.00000000
3 0.10694391 6.69258680 -0.44016226 0.00000000 0.00000000
4 -0.13741812 -0.59629545 0.16054541 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 0.07450615 0.00320813
6 0.00000000 0.00000000 0.00000000 0.00320813 -0.07450615
7 0.00892951 0.01103111 -0.82490592 0.00000000 0.00000000
8 0.00000000 0.00000000 0.00000000 -0.28036647 -0.01207217
9 0.00000000 0.00000000 0.00000000 -0.01207217 0.28036647
10 -0.03631348 -0.04106261 3.10411293 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.04926192 0.00212115
12 0.00000000 0.00000000 0.00000000 0.00212115 -0.04926192
13 -0.09410131 -0.00623108 -0.54439022 0.00000000 0.00000000
14 0.00110516 -0.06289317 -0.00082307 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 -0.00020613 -0.00000888
17 0.00110516 -0.06289317 -0.00082307 0.00000000 0.00000000
18 0.00000000 0.00000000 0.00000000 -0.00000888 0.00020613
19 -0.00312169 -0.06348686 0.00198898 0.00000000 0.00000000
20 -0.01559905 -1.00246670 0.05393710 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00125821 0.00005418
23 -0.01559905 -1.00246670 0.05393710 0.00000000 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00005418 -0.00125821
25 0.00662488 -0.99934438 0.03682143 0.00000000 0.00000000
26 0.00000000 0.00000000 0.00000000 0.11039741 0.00475355
27 0.00000000 0.00000000 0.00000000 0.00212585 -0.04937122
28 0.00724127 0.00760767 -0.54658442 0.00000000 0.00000000
29 0.00000000 0.00000000 0.00000000 0.04937122 0.00212585
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.04938477 0.00212644
32 0.00000000 0.00000000 0.00000000 0.00475355 -0.11039741
33 0.00724127 0.00760767 -0.54658442 0.00000000 0.00000000
34 0.00000000 0.00000000 0.00000000 0.00212644 -0.04938477
35 0.01689909 0.01710417 -1.22238583 0.00000000 0.00000000
36 2.89725587 0.05356595 0.01687394 0.00000000 0.00000000
37 1.31221246 0.03744162 0.02016408 0.00000000 0.00000000
38 -6.78311347 -0.22778371 -0.06563883 0.00000000 0.00000000
39 0.73171979 0.13570556 0.01772848 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 2.25040083 0.09689898
41 0.00000000 0.00000000 0.00000000 0.09689898 -2.25040083
42 0.01260694 0.05130277 2.10633439 0.00000000 0.00000000
43 0.00000000 0.00000000 0.00000000 -8.54540016 -0.36795246
44 0.00000000 0.00000000 0.00000000 -0.36795246 8.54540016
45 -0.04738125 -0.19645991 -7.99601291 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 1.63148664 0.07024943
47 0.00000000 0.00000000 0.00000000 0.07024943 -1.63148664
48 -0.00520113 -0.04316108 1.52769662 0.00000000 0.00000000
49 0.06034555 -0.00014469 0.00059253 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000903 0.00000039
52 0.06034555 -0.00014469 0.00059253 0.00000000 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000039 -0.00000903
54 0.06088625 0.00467316 -0.00099226 0.00000000 0.00000000
55 0.97127642 0.03573494 0.00320121 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 -0.00006181 -0.00000266
58 0.97127642 0.03573494 0.00320121 0.00000000 0.00000000
59 0.00000000 0.00000000 0.00000000 -0.00000266 0.00006181
60 0.96842919 0.00904089 0.01392442 0.00000000 0.00000000
61 0.00000000 0.00000000 0.00000000 3.32561581 0.14319616
62 0.00000000 0.00000000 0.00000000 0.06403927 -1.48726060
63 0.00869478 0.03519512 1.39233449 0.00000000 0.00000000
64 0.00000000 0.00000000 0.00000000 1.48726060 0.06403927
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 1.48726121 0.06403930
67 0.00000000 0.00000000 0.00000000 0.14319616 -3.32561581
68 0.00869478 0.03519512 1.39233449 0.00000000 0.00000000
69 0.00000000 0.00000000 0.00000000 0.06403930 -1.48726121
70 0.01953103 0.07946087 3.11324703 0.00000000 0.00000000
16 17 18 19 20
1 0.00000000 0.00000000 -0.04128078 0.00000000 0.00000000
2 0.00000000 0.00000000 -0.08228544 0.00000000 0.00000000
3 0.00000000 0.00000000 0.24285773 0.00000000 0.00000000
4 0.00000000 0.00000000 -0.10821597 0.00000000 0.00000000
5 2.28001469 0.15260073 0.00000000 0.00000000 0.00000000
6 -0.15260073 2.28001469 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -2.13139088 0.00000000 0.00000000
8 -8.61340268 -0.57649259 0.00000000 0.00000000 0.00000000
9 0.57649259 -8.61340268 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 8.06034255 0.00000000 0.00000000
11 1.59306728 0.10662354 0.00000000 0.00000000 0.00000000
12 -0.10662354 1.59306728 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -1.51620988 0.00000000 0.00000000
14 0.00000000 0.00000000 0.00250906 0.00000172 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000199
16 0.00000562 0.00000038 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.00250906 -0.00000172 -0.00000000
18 -0.00000038 0.00000562 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.00312821 0.00000000 0.00000000
20 0.00000000 0.00000000 -0.03606257 -0.00001209 -0.00000003
21 0.00000000 0.00000000 0.00000000 -0.00000003 0.00001396
22 -0.00003060 -0.00000205 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.03606257 0.00001209 0.00000003
24 0.00000205 -0.00003060 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00070848 0.00000000 0.00000000
26 3.36601719 0.22528657 0.00000000 0.00000000 0.00000000
27 -0.10075122 1.50532865 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 -1.40588321 -0.00000003 0.00000000
29 1.50532865 0.10075122 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000003
31 1.50532845 0.10075120 0.00000000 0.00000000 0.00000000
32 -0.22528657 3.36601719 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 -1.40588321 0.00000003 0.00000000
34 -0.10075120 1.50532845 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 -3.14336004 0.00000000 0.00000000
36 0.00000000 0.00000000 0.05868690 0.00000000 0.00000000
37 0.00000000 0.00000000 0.13990660 0.00000000 0.00000000
38 0.00000000 0.00000000 -0.38802932 0.00000000 0.00000000
39 0.00000000 0.00000000 0.18129537 0.00000000 0.00000000
40 -0.07189952 -0.00481221 0.00000000 0.00000000 0.00000000
41 0.00481221 -0.07189952 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 -0.79824428 0.00000000 0.00000000
43 0.27426027 0.01835616 0.00000000 0.00000000 0.00000000
44 -0.01835616 0.27426027 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 3.04756671 0.00000000 0.00000000
46 -0.05481915 -0.00366903 0.00000000 0.00000000 0.00000000
47 0.00366903 -0.05481915 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 -0.61925462 0.00000000 0.00000000
49 0.00000000 0.00000000 -0.00450787 0.12726147 0.00026489
50 0.00000000 0.00000000 0.00000000 0.00030587 -0.14694888
51 0.00032638 0.00002184 0.00000000 -0.00000000 0.00000000
52 0.00000000 0.00000000 -0.00450787 -0.12726147 -0.00026489
53 -0.00002184 0.00032638 0.00000000 0.00000000 -0.00000000
54 0.00000000 0.00000000 0.00399943 0.00000000 0.00000000
55 0.00000000 0.00000000 0.05173898 -0.93424887 -0.00194464
56 0.00000000 0.00000000 0.00000000 -0.00224547 1.07877767
57 -0.00215863 -0.00014448 0.00000000 0.00000000 -0.00000000
58 0.00000000 0.00000000 0.05173898 0.93424887 0.00194464
59 0.00014448 -0.00215863 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 -0.00562368 0.00000000 0.00000000
61 -0.10585370 -0.00708476 0.00000000 0.00000000 0.00000000
62 0.00316840 -0.04733921 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 -0.52522660 -0.00000098 -0.00000000
64 -0.04733921 -0.00316840 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000113
66 -0.04732433 -0.00316740 0.00000000 0.00000000 0.00000000
67 0.00708476 -0.10585370 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 -0.52522660 0.00000098 0.00000000
69 0.00316740 -0.04732433 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 -1.17408920 0.00000000 0.00000000
21 22 23 24 25
1 0.00000000 0.00000000 0.00490301 0.00000000 0.00000000
2 0.00000000 0.00000000 -0.08085803 0.00000000 0.00000000
3 0.00000000 0.00000000 0.13536471 0.00000000 0.00000000
4 0.00000000 0.00000000 -0.07894178 0.00000000 0.00000000
5 0.00074475 -0.00431065 0.00000000 0.00000000 0.00000000
6 0.00431065 0.00074475 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -0.06683099 0.00000000 0.00000000
8 -0.00285110 0.01650218 0.00000000 0.00000000 0.00000000
9 -0.01650218 -0.00285110 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 0.25561160 0.00000000 0.00000000
11 0.00059202 -0.00342665 0.00000000 0.00000000 0.00000000
12 0.00342665 0.00059202 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -0.05345219 0.00000000 0.00000000
14 0.00000000 0.00000000 0.00354026 -0.13012372 -0.00045187
15 0.00000000 0.00000000 0.00000000 0.00052177 -0.15025394
16 0.00000567 -0.00003282 0.00000000 -0.00000023 -0.00000032
17 0.00000000 0.00000000 0.00354026 0.13012372 0.00045187
18 0.00003282 0.00000567 0.00000000 0.00000010 -0.00000017
19 0.00000000 0.00000000 0.00086198 0.00000000 0.00000000
20 0.00000000 0.00000000 -0.01194260 0.93563687 0.00324908
21 0.00000000 0.00000000 0.00000000 -0.00375172 1.08038039
22 -0.00003969 0.00022970 0.00000000 0.00000168 0.00000230
23 0.00000000 0.00000000 -0.01194260 -0.93563687 -0.00324908
24 -0.00022970 -0.00003969 0.00000000 -0.00000069 0.00000126
25 0.00000000 0.00000000 0.00687964 0.00000000 0.00000000
26 0.00108699 -0.00629153 0.00000000 0.00000000 0.00000000
27 0.00281366 0.00048612 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 -0.04366179 -0.00000104 -0.00000000
29 0.00048612 -0.00281366 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000120
31 0.00048606 -0.00281335 0.00000000 0.00000000 0.00000000
32 0.00629153 0.00108699 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 -0.04366179 0.00000104 0.00000000
34 0.00281335 0.00048606 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 -0.09759943 0.00000000 0.00000000
36 0.00000000 0.00000000 0.00172698 0.00000000 0.00000000
37 0.00000000 0.00000000 0.01327916 0.00000000 0.00000000
38 0.00000000 0.00000000 -0.03128075 0.00000000 0.00000000
39 0.00000000 0.00000000 0.02013647 0.00000000 0.00000000
40 -0.00000299 0.00001729 0.00000000 -0.00000000 -0.00000001
41 -0.00001729 -0.00000299 0.00000000 0.00000000 -0.00000000
42 0.00000000 0.00000000 -0.04025546 0.00000000 0.00000000
43 0.00001135 -0.00006567 0.00000000 0.00000001 0.00000002
44 0.00006567 0.00001135 0.00000000 -0.00000001 0.00000001
45 0.00000000 0.00000000 0.15494756 0.00000000 0.00000000
46 -0.00000332 0.00001920 0.00000000 -0.00000000 -0.00000000
47 -0.00001920 -0.00000332 0.00000000 0.00000000 -0.00000000
48 0.00000000 0.00000000 -0.03559118 0.00000000 0.00000000
49 -0.00000000 0.00000000 0.07305019 0.00000161 0.00000001
50 0.00000000 0.00000000 0.00000000 -0.00000001 0.00000186
51 -0.02501783 0.14480353 0.00000000 0.00000000 0.00000000
52 0.00000000 -0.00000000 0.07305019 -0.00000161 -0.00000001
53 -0.14480353 -0.02501783 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 -0.14701400 0.00000000 0.00000000
55 0.00000000 -0.00000000 -0.53713716 -0.00001204 -0.00000004
56 -0.00000000 -0.00000000 0.00000000 0.00000005 -0.00001391
57 0.18366037 -1.06302886 0.00000000 0.00000000 0.00000000
58 -0.00000000 0.00000000 -0.53713716 0.00001204 0.00000004
59 1.06302886 0.18366037 0.00000000 -0.00000000 0.00000000
60 0.00000000 0.00000000 1.07959276 0.00000000 0.00000000
61 -0.00000436 0.00002521 0.00000000 -0.00000001 -0.00000001
62 -0.00001128 -0.00000195 0.00000000 0.00000000 -0.00000000
63 0.00000000 0.00000000 -0.02632698 -0.00000002 0.00000000
64 -0.00000195 0.00001128 0.00000000 -0.00000000 -0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000003
66 -0.00000161 0.00000935 0.00000000 -0.00000000 -0.00000000
67 -0.00002521 -0.00000436 0.00000000 0.00000000 -0.00000000
68 0.00000000 0.00000000 -0.02632698 0.00000002 0.00000000
69 -0.00000935 -0.00000161 0.00000000 0.00000000 -0.00000000
70 0.00000000 0.00000000 -0.05876411 0.00000000 0.00000000
26 27 28 29 30
1 0.00000000 0.00000000 -0.00167071 -0.02725395 -1.77801498
2 0.00000000 0.00000000 -0.01332672 0.02500668 0.27976881
3 0.00000000 0.00000000 0.03062749 0.01188754 5.98016397
4 0.00000000 0.00000000 -0.01881591 0.07140204 -0.48640964
5 -0.00001825 0.00000113 0.00000000 0.00000000 0.00000000
6 0.00000113 0.00001825 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -0.03930318 0.04625822 -0.00263828
8 0.00006998 -0.00000432 0.00000000 0.00000000 0.00000000
9 -0.00000432 -0.00006998 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 0.15027743 -0.20648336 0.01942989
11 -0.00000886 0.00000055 0.00000000 0.00000000 0.00000000
12 0.00000055 0.00000886 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -0.03315991 0.09198506 -0.01398573
14 0.00000021 0.00000007 -0.07473862 -0.00140016 -0.12379071
15 0.00000031 -0.00000019 0.00000000 0.00000000 0.00000000
16 -0.14996979 0.00925001 0.00000000 0.00000000 0.00000000
17 -0.00000021 -0.00000007 -0.07473862 -0.00140016 -0.12379071
18 0.00925001 0.14996979 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.15037357 -0.00366623 -0.12360389
20 -0.00000150 -0.00000050 0.53790372 -0.03310003 -1.87101991
21 -0.00000221 0.00000140 0.00000000 0.00000000 0.00000000
22 1.07833695 -0.06651088 0.00000000 0.00000000 0.00000000
23 0.00000150 0.00000050 0.53790372 -0.03310003 -1.87101991
24 -0.06651088 -1.07833695 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 -1.08175883 0.00313545 -1.87494349
26 -0.00002686 0.00000166 0.00000000 0.00000000 0.00000000
27 0.00000074 0.00001201 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 -0.02569804 0.02832805 -0.00102057
29 -0.00001201 0.00000074 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -0.00001394 0.00000086 0.00000000 0.00000000 0.00000000
32 0.00000166 0.00002686 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 -0.02569804 0.02832805 -0.00102057
34 0.00000086 0.00001394 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 -0.05737155 0.06130136 -0.00203988
36 0.00000000 0.00000000 -0.02122408 -1.77570010 0.02777291
37 0.00000000 0.00000000 0.07575777 0.20928247 0.01680625
38 0.00000000 0.00000000 -0.09209424 6.08881367 -0.17399426
39 0.00000000 0.00000000 0.07447410 -0.51269692 0.08478044
40 -0.00236790 0.00014605 0.00000000 0.00000000 0.00000000
41 0.00014605 0.00236790 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 -0.03727026 0.00153089 -0.02883174
43 0.00922928 -0.00056925 0.00000000 0.00000000 0.00000000
44 -0.00056925 -0.00922928 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 0.14492857 -0.01471831 0.14699683
46 -0.00212579 0.00013112 0.00000000 0.00000000 0.00000000
47 0.00013112 0.00212579 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 -0.03353150 0.01196352 -0.08259631
49 0.00000000 0.00000000 -0.00253938 -0.12722414 0.00227253
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.00003092 0.00000191 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.00253938 -0.12722414 0.00227253
53 0.00000191 0.00003092 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 -0.00482543 -0.12708278 0.00074182
55 0.00000000 0.00000000 -0.00941916 -1.89214564 0.02684705
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00023195 -0.00001431 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 -0.00941916 -1.89214564 0.02684705
59 -0.00001431 -0.00023195 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.00779103 -1.89522640 0.05915960
61 -0.00342885 0.00021149 0.00000000 0.00000000 0.00000000
62 0.00009458 0.00153343 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 -0.02418539 0.00037210 -0.01687079
64 -0.00153343 0.00009458 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.00153312 0.00009456 0.00000000 0.00000000 0.00000000
67 0.00021149 0.00342885 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 -0.02418539 0.00037210 -0.01687079
69 0.00009456 0.00153312 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 -0.05404876 0.00065056 -0.03557352
31 32 33 34 35
1 0.04639809 0.00000000 0.00000000 0.00000000 0.00000000
2 -0.08527745 0.00000000 0.00000000 0.00000000 0.00000000
3 0.23088530 0.00000000 0.00000000 0.00000000 0.00000000
4 -0.11599093 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 -0.19041951 0.01515195 -0.58333126 -4.04482338
6 0.00000000 -0.01515195 -0.19041951 4.04482338 -0.58333126
7 1.78048911 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.59184867 -0.04709423 1.81642111 12.59507765
9 0.00000000 0.04709423 0.59184867 -12.59507765 1.81642111
10 -5.53192213 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 -0.05766551 0.00458853 -0.18286520 -1.26798870
12 0.00000000 -0.00458853 -0.05766551 1.26798870 -0.18286520
13 0.53611593 0.00000000 0.00000000 0.00000000 0.00000000
14 0.00152042 0.00000000 0.00000000 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00004317 -0.00000344 -0.00000010 -0.00000070
17 0.00152042 0.00000000 0.00000000 0.00000000 0.00000000
18 0.00000000 0.00000344 0.00004317 0.00000070 -0.00000010
19 0.00097767 0.00000000 0.00000000 0.00000000 0.00000000
20 -0.05491057 0.00000000 0.00000000 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00015325 -0.00001219 -0.00000105 -0.00000726
23 -0.05491057 0.00000000 0.00000000 0.00000000 0.00000000
24 0.00000000 0.00001219 0.00015325 0.00000726 -0.00000105
25 -0.05667640 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 -0.28635947 0.02278603 -0.87499668 -6.06723359
27 0.00000000 -0.01019022 -0.12806385 2.71334935 -0.39131041
28 1.19782313 0.00000000 0.00000000 0.00000000 0.00000000
29 0.00000000 -0.12806385 0.01019022 -0.39131041 -2.71334935
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 -0.12810345 0.01019337 -0.39131011 -2.71334726
32 0.00000000 -0.02278603 -0.28635947 6.06723359 -0.87499668
33 1.19782313 0.00000000 0.00000000 0.00000000 0.00000000
34 0.00000000 -0.01019337 -0.12810345 2.71334726 -0.39131011
35 2.67885224 0.00000000 0.00000000 0.00000000 0.00000000
36 0.01104365 0.00000000 0.00000000 0.00000000 0.00000000
37 -0.02350981 0.00000000 0.00000000 0.00000000 0.00000000
38 0.06576663 0.00000000 0.00000000 0.00000000 0.00000000
39 -0.02917923 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 -4.09742428 0.32603783 0.02851053 0.19769225
41 0.00000000 -0.32603783 -4.09742428 -0.19769225 0.02851053
42 -3.67549751 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 12.75519701 -1.01494901 -0.08889488 -0.61639780
44 -0.00000000 1.01494901 12.75519701 0.61639780 -0.08889488
45 11.44076978 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 -1.29111658 0.10273597 0.00926560 0.06424771
47 0.00000000 -0.10273597 -1.29111658 -0.06424771 0.00926560
48 -1.15581125 0.00000000 0.00000000 0.00000000 0.00000000
49 0.00020303 0.00000000 0.00000000 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 -0.00000342 0.00000027 -0.00000665 -0.00004613
52 0.00020303 0.00000000 0.00000000 0.00000000 0.00000000
53 0.00000000 -0.00000027 -0.00000342 0.00004613 -0.00000665
54 0.00026201 0.00000000 0.00000000 0.00000000 0.00000000
55 -0.01617066 0.00000000 0.00000000 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 -0.00000703 0.00000056 -0.00002121 -0.00014708
58 -0.01617066 0.00000000 0.00000000 0.00000000 0.00000000
59 0.00000000 -0.00000056 -0.00000703 0.00014708 -0.00002121
60 -0.01512451 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 -6.12973441 0.48775161 0.04254814 0.29502910
62 0.00000000 -0.21812915 -2.74130057 -0.13194102 0.01902810
63 -2.46000437 0.00000000 0.00000000 0.00000000 0.00000000
64 0.00000000 -2.74130057 0.21812915 0.01902810 0.13194102
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 -2.74130246 0.21812930 0.01902190 0.13189800
67 0.00000000 -0.48775161 -6.12973441 -0.29502910 0.04254814
68 -2.46000437 0.00000000 0.00000000 0.00000000 0.00000000
69 0.00000000 -0.21812930 -2.74130246 -0.13189800 0.01902190
70 -5.50040673 0.00000000 0.00000000 0.00000000 0.00000000
36 37 38 39 40
1 -0.04828549 0.00000000 0.00000000 0.00000000 0.00000000
2 0.07392795 0.00000000 0.00000000 0.00000000 0.00000000
3 -0.18210015 0.00000000 0.00000000 0.00000000 0.00000000
4 0.10287423 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7 3.70319108 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
9 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
10 -11.54451208 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13 1.18478070 0.00000000 0.00000000 0.00000000 0.00000000
14 -0.00186198 0.00000000 0.00000000 -0.00000002 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000002
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17 -0.00186198 0.00000000 0.00000000 0.00000002 0.00000000
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
19 -0.00102266 0.00000000 0.00000000 0.00000000 0.00000000
20 0.04242658 0.00000000 0.00000000 -0.00000001 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000002
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
23 0.04242658 0.00000000 0.00000000 0.00000001 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
25 0.04627671 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 0.00000001 -0.00000006 0.00000000 0.00000000
27 0.00000000 0.00000008 0.00000002 0.00000000 0.00000000
28 2.48133091 0.00000000 0.00000000 0.00000082 -0.00000000
29 0.00000000 -0.00000002 0.00000008 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000094
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
32 0.00000000 -0.00000006 -0.00000001 0.00000000 0.00000000
33 2.48133091 0.00000000 0.00000000 -0.00000082 0.00000000
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
35 5.54727512 0.00000000 0.00000000 0.00000000 0.00000000
36 0.07335074 0.00000000 0.00000000 0.00000000 0.00000000
37 -0.11170892 0.00000000 0.00000000 0.00000000 0.00000000
38 0.27007463 0.00000000 0.00000000 0.00000000 0.00000000
39 -0.15117839 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
42 1.89018576 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
45 -5.90092287 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
48 0.62734978 0.00000000 0.00000000 0.00000000 0.00000000
49 0.00258851 0.00000000 0.00000000 -0.00000113 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000001 0.00000131
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00258851 0.00000000 0.00000000 0.00000113 -0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00151869 0.00000000 0.00000000 0.00000000 0.00000000
55 -0.06330102 0.00000000 0.00000000 0.00000154 -0.00000001
56 0.00000000 0.00000000 0.00000000 -0.00000001 -0.00000177
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
58 -0.06330102 0.00000000 0.00000000 -0.00000154 0.00000001
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60 -0.06733170 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 0.17492098 -0.77097479 0.00000000 -0.00000000
62 0.00000000 1.03437180 0.23468126 -0.00000001 -0.00000000
63 1.26029495 -0.00000001 -0.00000000 -0.86601833 0.00350009
64 0.00000000 -0.23468126 1.03437180 -0.00000000 0.00000000
65 0.00000000 0.00000000 -0.00000000 0.00404155 0.99999183
66 0.00000000 0.00000013 -0.00000058 -0.00000001 0.00000001
67 0.00000000 -0.77097479 -0.17492099 0.00000001 -0.00000000
68 1.26029495 0.00000001 0.00000000 0.86601833 -0.00350009
69 0.00000000 -0.00000058 -0.00000013 -0.00000001 0.00000000
70 2.81686107 0.00000000 0.00000000 -0.00000000 0.00000000
41 42 43 44 45
1 0.00000000 0.00000000 0.02667238 0.00000000 0.00000000
2 0.00000000 0.00000000 -0.01695711 0.00000000 0.00000000
3 0.00000000 0.00000000 0.00611829 0.00000000 0.00000000
4 0.00000000 0.00000000 -0.01599036 0.00000000 0.00000000
5 -0.00010072 -0.00016271 0.00000000 0.00000000 0.00000000
6 0.00016271 -0.00010072 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -0.00239236 0.00000000 0.00000000
8 0.00030971 0.00050033 0.00000000 0.00000000 0.00000000
9 -0.00050033 0.00030971 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 0.00740564 0.00000000 0.00000000
11 -0.00004759 -0.00007689 0.00000000 0.00000000 0.00000000
12 0.00007689 -0.00004759 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -0.00118189 0.00000000 0.00000000
14 0.00000000 0.00000000 0.00093076 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.00000011 -0.00000017 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.00093076 0.00000000 0.00000000
18 0.00000017 -0.00000011 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.00090457 0.00000000 0.00000000
20 0.00000000 0.00000000 -0.00335454 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.00000007 -0.00000011 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.00335454 0.00000000 0.00000000
24 0.00000011 -0.00000007 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 -0.00337503 0.00000000 0.00000000
26 -0.00013877 -0.00022418 0.00000000 -0.66874199 -0.42164390
27 0.00010026 -0.00006206 0.00000000 -0.56569500 0.89721208
28 0.00000000 0.00000000 -0.00166867 -0.00000000 0.00000000
29 -0.00006206 -0.00010026 0.00000000 0.89721208 0.56569500
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000
31 -0.00005855 -0.00009458 0.00000000 -0.00000055 -0.00000035
32 0.00022418 -0.00013877 0.00000000 0.42164390 -0.66874199
33 0.00000000 0.00000000 -0.00166867 0.00000000 -0.00000000
34 0.00009458 -0.00005855 0.00000000 0.00000035 -0.00000055
35 0.00000000 0.00000000 -0.00296610 0.00000000 0.00000000
36 0.00000000 0.00000000 -0.00242226 0.00000000 0.00000000
37 0.00000000 0.00000000 0.00181588 0.00000000 0.00000000
38 0.00000000 0.00000000 -0.00164627 0.00000000 0.00000000
39 0.00000000 0.00000000 0.00232831 0.00000000 0.00000000
40 0.00000016 0.00000027 0.00000000 0.00000000 0.00000000
41 -0.00000027 0.00000016 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 -0.00240503 0.00000000 0.00000000
43 -0.00000020 -0.00000032 0.00000000 -0.00000000 -0.00000000
44 0.00000032 -0.00000020 0.00000000 0.00000000 -0.00000000
45 0.00000000 0.00000000 0.00761328 0.00000000 0.00000000
46 0.00000006 0.00000009 0.00000000 0.00000000 0.00000000
47 -0.00000009 0.00000006 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 -0.00139425 0.00000000 0.00000000
49 0.00000000 0.00000000 -0.00011571 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000088 0.00000143 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.00011571 0.00000000 0.00000000
53 -0.00000143 0.00000088 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 -0.00000077 0.00000000 0.00000000
55 0.00000000 0.00000000 0.00041039 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.00000118 -0.00000190 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 0.00041039 0.00000000 0.00000000
59 0.00000190 -0.00000118 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.00050403 0.00000000 0.00000000
61 -0.32230964 -0.52068884 0.00000000 0.00000005 0.00000003
62 0.23285848 -0.14414085 0.00000000 0.00000004 -0.00000007
63 0.00000001 -0.00000001 0.66933597 0.00000000 0.00000000
64 -0.14414084 -0.23285848 0.00000000 -0.00000007 -0.00000004
65 -0.00000000 -0.00000001 0.00000000 0.00000000 0.00000000
66 0.57656475 0.93143610 0.00000000 0.00000000 0.00000000
67 0.52068884 -0.32230963 0.00000000 -0.00000003 0.00000005
68 -0.00000001 0.00000001 0.66933597 0.00000000 0.00000000
69 -0.93143610 0.57656475 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 -1.00332351 0.00000000 0.00000000
46 47 48 49 50
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.00239396
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00179905
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.00164110
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00230242
5 0.00000000 0.00000000 0.00000006 0.00000020 0.00000000
6 0.00000000 0.00000000 0.00000020 -0.00000006 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00238108
8 0.00000000 0.00000000 0.00000001 0.00000002 0.00000000
9 0.00000000 0.00000000 0.00000002 -0.00000001 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.00754317
11 0.00000000 0.00000000 -0.00000002 -0.00000007 0.00000000
12 0.00000000 0.00000000 -0.00000007 0.00000002 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00137489
14 -0.00000124 0.00000000 0.00000000 0.00000000 -0.00011529
15 0.00000000 0.00000143 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 -0.00000053 -0.00000182 0.00000000
17 0.00000124 -0.00000000 0.00000000 0.00000000 -0.00011529
18 0.00000000 0.00000000 -0.00000182 0.00000053 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000439
20 0.00000164 -0.00000000 0.00000000 0.00000000 0.00041051
21 -0.00000000 -0.00000190 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000065 0.00000224 0.00000000
23 -0.00000164 0.00000000 0.00000000 0.00000000 0.00041051
24 0.00000000 0.00000000 0.00000224 -0.00000065 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00050412
26 -0.00000000 -0.00000000 -0.17156097 -0.58784980 0.00000000
27 -0.00000000 -0.00000000 -0.26289361 0.07672416 0.00000000
28 0.86602450 -0.00125156 0.00000000 -0.00000001 -0.66934698
29 -0.00000000 -0.00000000 -0.07672416 -0.26289361 0.00000000
30 -0.00144518 -0.99999896 0.00000001 0.00000000 0.00000000
31 0.00000001 0.00000001 0.30689737 1.05157692 0.00000000
32 0.00000000 -0.00000000 -0.58784980 0.17156097 0.00000000
33 -0.86602450 0.00125156 -0.00000000 0.00000001 -0.66934698
34 -0.00000000 0.00000001 1.05157692 -0.30689737 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 1.00329897
36 0.00000000 0.00000000 0.00000000 0.00000000 0.02729071
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.01709299
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00535133
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01604436
40 0.00000000 0.00000000 -0.00004968 -0.00017023 0.00000000
41 0.00000000 0.00000000 -0.00017023 0.00004968 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00226691
43 0.00000000 0.00000000 0.00015213 0.00052127 0.00000000
44 0.00000000 0.00000000 0.00052127 -0.00015213 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.00699300
46 0.00000000 0.00000000 -0.00002376 -0.00008143 0.00000000
47 0.00000000 0.00000000 -0.00008143 0.00002376 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00113332
49 -0.00000001 0.00000000 0.00000000 0.00000000 0.00092621
50 0.00000000 0.00000001 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000002 0.00000008 0.00000000
52 0.00000001 0.00000000 0.00000000 0.00000000 0.00092621
53 0.00000000 0.00000000 0.00000008 -0.00000002 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00089919
55 -0.00000002 0.00000000 0.00000000 0.00000000 -0.00320459
56 0.00000000 0.00000003 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000005 0.00000018 0.00000000
58 0.00000002 0.00000000 0.00000000 0.00000000 -0.00320459
59 0.00000000 0.00000000 0.00000018 -0.00000005 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.00322399
61 0.00000000 0.00000000 -0.00006624 -0.00022697 0.00000000
62 0.00000000 0.00000000 -0.00010150 0.00002962 0.00000000
63 0.00000082 -0.00000000 0.00000000 0.00000000 0.00116958
64 0.00000000 0.00000000 -0.00002962 -0.00010150 0.00000000
65 -0.00000000 -0.00000094 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -0.00003149 -0.00010791 0.00000000
67 0.00000000 0.00000000 -0.00022697 0.00006624 0.00000000
68 -0.00000082 0.00000000 0.00000000 0.00000000 0.00116958
69 0.00000000 0.00000000 -0.00010791 0.00003149 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00338150
51 52 53 54 55
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.20786395
2 0.00000000 0.00000000 0.00000000 0.00000000 0.09561840
3 0.00000000 0.00000000 0.00000000 0.00000000 0.05960314
4 0.00000000 0.00000000 0.00000000 0.00000000 0.08515626
5 0.00000000 0.00000000 0.00037735 0.00013849 0.00000000
6 0.00000000 0.00000000 0.00013849 -0.00037735 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00557286
8 0.00000000 0.00000000 -0.00082929 -0.00030436 0.00000000
9 0.00000000 0.00000000 -0.00030436 0.00082929 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.01262197
11 0.00000000 0.00000000 0.00020944 0.00007687 0.00000000
12 0.00000000 0.00000000 0.00007687 -0.00020944 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00322432
14 0.00000002 -0.00000238 0.00000000 0.00000000 -0.00578113
15 -0.00000275 -0.00000002 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00006729 0.00002470 0.00000000
17 -0.00000002 0.00000238 0.00000000 0.00000000 -0.00578113
18 0.00000000 0.00000000 0.00002470 -0.00006729 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00082372
20 -0.00000001 0.00000113 0.00000000 0.00000000 0.00280923
21 0.00000130 0.00000001 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.00003186 -0.00001169 0.00000000
23 0.00000001 -0.00000113 0.00000000 0.00000000 0.00280923
24 0.00000000 0.00000000 -0.00001169 0.00003186 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.00030187
26 0.00000000 0.00000000 0.00027368 0.00010044 0.00000000
27 0.00000000 0.00000000 0.00004492 -0.00012239 0.00000000
28 0.00000000 -0.00000001 0.00000000 0.00000000 0.00188775
29 0.00000000 0.00000000 0.00012239 0.00004492 0.00000000
30 -0.00000001 -0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00012252 0.00004497 0.00000000
32 0.00000000 0.00000000 0.00010044 -0.00027368 0.00000000
33 0.00000000 0.00000001 0.00000000 0.00000000 0.00188775
34 0.00000000 0.00000000 0.00004497 -0.00012252 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00426635
36 0.00000000 0.00000000 0.00000000 0.00000000 0.02047941
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.00996123
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.00322902
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01074681
40 0.00000000 0.00000000 0.00000361 0.00000132 0.00000000
41 0.00000000 0.00000000 0.00000132 -0.00000361 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00434492
43 0.00000000 0.00000000 -0.00001269 -0.00000466 0.00000000
44 0.00000000 0.00000000 -0.00000466 0.00001269 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.01108323
46 0.00000000 0.00000000 0.00000060 0.00000022 0.00000000
47 0.00000000 0.00000000 0.00000022 -0.00000060 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00306514
49 0.00884176 -1.05981109 0.00000000 0.00000000 -0.61163283
50 -1.22376444 -0.01020959 0.00000001 -0.00000001 0.00000000
51 -0.00000000 -0.00000000 -1.14887541 -0.42165024 0.00000000
52 -0.00884176 1.05981109 -0.00000000 -0.00000000 -0.61163283
53 -0.00000002 0.00000000 -0.42165024 1.14887541 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 1.22411715
55 -0.00430789 0.51636228 -0.00000000 -0.00000000 0.29780792
56 0.59624380 0.00497432 -0.00000000 0.00000001 0.00000000
57 0.00000000 0.00000000 0.55975631 0.20543688 0.00000000
58 0.00430789 -0.51636228 0.00000000 0.00000000 0.29780792
59 0.00000001 -0.00000000 0.20543688 -0.55975631 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.59699261
61 0.00000000 0.00000000 0.00000612 0.00000225 0.00000000
62 0.00000000 0.00000000 0.00000100 -0.00000274 0.00000000
63 -0.00000001 0.00000081 0.00000000 0.00000000 0.00171110
64 0.00000000 0.00000000 0.00000274 0.00000100 0.00000000
65 0.00000093 0.00000001 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000428 0.00000157 0.00000000
67 0.00000000 0.00000000 0.00000225 -0.00000612 0.00000000
68 0.00000001 -0.00000081 0.00000000 0.00000000 0.00171110
69 0.00000000 0.00000000 0.00000157 -0.00000428 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00403455
56 57 58 59 60
1 0.00000000 0.00000000 0.00000000 0.00000000 0.02166506
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.01052929
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.00356354
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.01119838
5 0.00000000 0.00000000 0.00000458 0.00000023 0.00000000
6 0.00000000 0.00000000 0.00000023 -0.00000458 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.00431823
8 0.00000000 0.00000000 -0.00001606 -0.00000080 0.00000000
9 0.00000000 0.00000000 -0.00000080 0.00001606 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 0.01102146
11 0.00000000 0.00000000 0.00000108 0.00000005 0.00000000
12 0.00000000 0.00000000 0.00000005 -0.00000108 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.00302759
14 0.01803461 1.05934680 0.00000000 0.00000000 -0.61139496
15 1.22322832 -0.02082457 0.00000000 -0.00000000 0.00000000
16 -0.00000000 -0.00000001 1.22188705 0.06093588 0.00000000
17 -0.01803461 -1.05934680 -0.00000000 -0.00000000 -0.61139496
18 -0.00000000 0.00000000 0.06093588 -1.22188705 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 1.22374356
20 -0.00874673 -0.51377999 -0.00000000 -0.00000000 0.29632361
21 -0.59326203 0.01009985 -0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.59261145 -0.02955371 0.00000000
23 0.00874673 0.51377999 0.00000000 0.00000000 0.29632361
24 0.00000000 -0.00000000 -0.02955371 0.59261145 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.59408917
26 0.00000000 0.00000000 0.00000759 0.00000038 0.00000000
27 0.00000000 0.00000000 0.00000017 -0.00000340 0.00000000
28 0.00000002 0.00000088 0.00000000 0.00000000 -0.00170889
29 0.00000000 0.00000000 0.00000340 0.00000017 0.00000000
30 0.00000102 -0.00000002 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000528 0.00000026 0.00000000
32 0.00000000 0.00000000 0.00000038 -0.00000759 0.00000000
33 -0.00000002 -0.00000088 0.00000000 0.00000000 -0.00170889
34 0.00000000 0.00000000 0.00000026 -0.00000528 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 -0.00402279
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.21718145
37 0.00000000 0.00000000 0.00000000 0.00000000 0.09783732
38 0.00000000 0.00000000 0.00000000 0.00000000 0.06658571
39 0.00000000 0.00000000 0.00000000 0.00000000 0.08737101
40 0.00000000 0.00000000 0.00037889 0.00001890 0.00000000
41 0.00000000 0.00000000 0.00001890 -0.00037889 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 -0.00530823
43 0.00000000 0.00000000 -0.00078158 -0.00003898 0.00000000
44 0.00000000 0.00000000 -0.00003898 0.00078158 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 0.01136577
46 0.00000000 0.00000000 0.00021324 0.00001063 0.00000000
47 0.00000000 0.00000000 0.00001063 -0.00021324 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.00311565
49 -0.00000004 -0.00000239 0.00000000 0.00000000 -0.00109406
50 -0.00000277 0.00000005 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00007203 0.00000359 0.00000000
52 0.00000004 0.00000239 0.00000000 0.00000000 -0.00109406
53 0.00000000 0.00000000 0.00000359 -0.00007203 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00772173
55 0.00000002 0.00000121 0.00000000 0.00000000 -0.00020556
56 0.00000140 -0.00000002 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.00003610 -0.00000180 0.00000000
58 -0.00000002 -0.00000121 0.00000000 0.00000000 -0.00020556
59 0.00000000 0.00000000 -0.00000180 0.00003610 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00311797
61 0.00000000 0.00000000 0.00023889 0.00001191 0.00000000
62 0.00000000 0.00000000 0.00000533 -0.00010683 0.00000000
63 -0.00000000 -0.00000002 0.00000000 0.00000000 -0.00158924
64 0.00000000 0.00000000 0.00010683 0.00000533 0.00000000
65 -0.00000002 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00010710 0.00000534 0.00000000
67 0.00000000 0.00000000 0.00001191 -0.00023889 0.00000000
68 0.00000000 0.00000002 0.00000000 0.00000000 -0.00158924
69 0.00000000 0.00000000 0.00000534 -0.00010710 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 -0.00359942
61 62 63 64 65
1 -0.33106288 10.26260832 0.00000000 0.00000000 10.47948536
2 0.08719462 -2.36767898 0.00000000 0.00000000 -2.32220060
3 0.18117970 -6.69233099 0.00000000 0.00000000 -6.98486541
4 0.12265057 -2.75166991 0.00000000 0.00000000 -2.74439503
5 0.00000000 0.00000000 0.03187207 0.00692084 0.00000000
6 0.00000000 0.00000000 0.00692084 -0.03187207 0.00000000
7 -0.14052792 0.16035352 0.00000000 0.00000000 -0.45791046
8 0.00000000 0.00000000 -0.22120846 -0.04803416 0.00000000
9 0.00000000 0.00000000 -0.04803416 0.22120846 0.00000000
10 1.12255742 -1.12905917 0.00000000 -0.00000000 3.13552402
11 0.00000000 0.00000000 0.01544264 0.00335328 0.00000000
12 0.00000000 0.00000000 0.00335328 -0.01544264 0.00000000
13 -0.05354678 0.07786797 0.00000000 0.00000000 -0.22265074
14 0.01712746 -0.39600006 0.00000000 0.00000000 -0.42651363
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00015188 0.00003298 0.00000000
17 0.01712746 -0.39600006 0.00000000 0.00000000 -0.42651363
18 0.00000000 0.00000000 0.00003298 -0.00015188 0.00000000
19 0.00082053 -0.39549897 0.00000000 0.00000000 -0.42847053
20 -0.02218595 0.65184348 0.00000000 0.00000000 0.69201046
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.00011937 -0.00002592 0.00000000
23 -0.02218595 0.65184348 0.00000000 0.00000000 0.69201046
24 0.00000000 0.00000000 -0.00002592 0.00011937 0.00000000
25 -0.00796426 0.65155718 0.00000000 0.00000000 0.69357219
26 0.00000000 0.00000000 0.12520322 0.02718717 0.00000000
27 0.00000000 0.00000000 0.01215847 -0.05599258 0.00000000
28 -0.29389333 0.28652697 0.00000000 0.00000000 -0.79154086
29 0.00000000 0.00000000 0.05599258 0.01215847 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.05597788 0.01215528 0.00000000
32 0.00000000 0.00000000 0.02718717 -0.12520322 0.00000000
33 -0.29389333 0.28652697 0.00000000 0.00000000 -0.79154086
34 0.00000000 0.00000000 0.01215528 -0.05597788 0.00000000
35 -0.65460803 0.64071663 0.00000000 0.00000000 -1.76973771
36 -14.75635652 -0.31041248 0.00000000 0.00000000 0.38034611
37 3.34605967 0.06195369 0.00000000 0.00000000 -0.08144334
38 9.74583268 0.23092470 0.00000000 0.00000000 -0.24701780
39 3.90845541 0.05888745 0.00000000 0.00000000 -0.11663915
40 0.00000000 0.00000000 1.34394701 0.29183045 0.00000000
41 0.00000000 0.00000000 0.29183045 -1.34394701 0.00000000
42 -0.02134736 -0.94917996 0.00000000 0.00000000 0.87063288
43 0.00000000 0.00000000 -8.87552735 -1.92727027 0.00000000
44 0.00000000 -0.00000000 -1.92727027 8.87552735 0.00000000
45 0.15336121 6.39155073 0.00000000 0.00000000 -5.63835641
46 0.00000000 0.00000000 0.65715973 0.14269850 0.00000000
47 0.00000000 0.00000000 0.14269850 -0.65715973 0.00000000
48 -0.00952925 -0.45403357 0.00000000 0.00000000 0.43707363
49 0.58254229 0.00983574 0.00000000 0.00000000 -0.02087684
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 -0.00000317 -0.00000069 0.00000000
52 0.58254229 0.00983574 0.00000000 0.00000000 -0.02087684
53 0.00000000 0.00000000 -0.00000069 0.00000317 0.00000000
54 0.58341152 0.01971924 0.00000000 0.00000000 -0.00961464
55 -0.96404835 -0.02028719 0.00000000 0.00000000 0.02944537
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000253 0.00000055 0.00000000
58 -0.96404835 -0.02028719 0.00000000 0.00000000 0.02944537
59 0.00000000 0.00000000 0.00000055 -0.00000253 0.00000000
60 -0.96481383 -0.02907680 0.00000000 0.00000000 0.01928083
61 0.00000000 0.00000000 4.97594326 1.08049777 0.00000000
62 0.00000000 0.00000000 0.48321329 -2.22530947 0.00000000
63 -0.03924246 -1.61059076 0.00000000 0.00000000 1.40594272
64 0.00000000 0.00000000 2.22530947 0.48321329 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 2.22530923 0.48321324 0.00000000
67 0.00000000 0.00000000 1.08049777 -4.97594326 -0.00000000
68 -0.03924246 -1.61059076 0.00000000 0.00000000 1.40594272
69 0.00000000 0.00000000 0.48321324 -2.22530923 0.00000000
70 -0.08760985 -3.59979921 0.00000000 -0.00000000 3.14567201
66 67 68 69 70
1 0.00000000 0.00000000 -2.52095455 47.85364992 59.80997075
2 0.00000000 0.00000000 0.52166552 -23.21413659 -28.97284695
3 0.00000000 0.00000000 1.74021331 -28.14323297 -35.31758008
4 0.00000000 0.00000000 0.62949190 -13.51556247 -16.75790687
5 -1.35696775 0.03085481 0.00000000 0.00000000 0.00000000
6 -0.03085481 -1.35696775 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -1.27498745 -0.08083941 0.09237595
8 9.02656942 -0.20524663 0.00000000 0.00000000 0.00000000
9 0.20524663 9.02656942 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 8.36671298 0.30073668 -0.34446618
11 -0.66750322 0.01517772 0.00000000 0.00000000 0.00000000
12 -0.01517772 -0.66750322 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -0.63323350 -0.06770211 0.07370634
14 0.00000000 0.00000000 0.10984888 3.09968875 3.87714079
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000472 -0.00000011 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.10984888 3.09968875 3.87714079
18 0.00000011 0.00000472 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.11533586 3.10771032 3.86934143
20 0.00000000 0.00000000 -0.17505666 2.88966446 3.61760827
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.00000370 0.00000008 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.17505666 2.88966446 3.61760827
24 -0.00000008 -0.00000370 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 -0.17984266 2.87607348 3.63074197
26 -5.06365248 0.11513761 0.00000000 0.00000000 0.00000000
27 -0.05149110 -2.26453423 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 -2.09217432 -0.05881131 0.06802668
29 -2.26453423 0.05149110 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -2.26453476 0.05149112 0.00000000 0.00000000 0.00000000
32 -0.11513761 -5.06365248 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 -2.09217432 -0.05881131 0.06802668
34 -0.05149112 -2.26453476 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 -4.67905978 -0.13384202 0.15434602
36 0.00000000 0.00000000 2.01485714 59.71939906 -47.96263698
37 0.00000000 0.00000000 -0.37384237 -28.96200341 23.22720214
38 0.00000000 0.00000000 -1.46438809 -35.15346407 28.34724558
39 0.00000000 0.00000000 -0.47068194 -16.83743438 13.41491296
40 0.03889015 -0.00088429 0.00000000 0.00000000 0.00000000
41 0.00088429 0.03889015 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 -0.52094568 0.05877592 0.10772900
43 -0.24769997 0.00563222 0.00000000 0.00000000 0.00000000
44 -0.00563222 -0.24769997 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 3.26941739 -0.21845867 -0.40152515
46 0.01926755 -0.00043811 0.00000000 0.00000000 0.00000000
47 0.00043811 0.01926755 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 -0.26247221 0.05002511 0.08665847
49 0.00000000 0.00000000 -0.09735814 3.86916623 -3.10984970
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00014827 -0.00000337 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.09735814 3.86916623 -3.10984970
53 0.00000337 0.00014827 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 -0.10372448 3.87529020 -3.10050205
55 0.00000000 0.00000000 0.15301111 3.60786437 -2.90236750
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.00011897 0.00000271 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 0.15301111 3.60786437 -2.90236750
59 -0.00000271 -0.00011897 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.15851992 3.59746244 -2.91813901
61 0.13774867 -0.00313214 0.00000000 0.00000000 0.00000000
62 0.00140073 0.06160308 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 -0.80971408 0.04257392 0.07916459
64 0.06160308 -0.00140073 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.06161820 -0.00140108 0.00000000 0.00000000 0.00000000
67 0.00313214 0.13774867 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 -0.80971408 0.04257392 0.07916459
69 0.00140108 0.06161820 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 -1.81147164 0.09699095 0.17970519
-----------------------------------------
UHF spin-down orbital coefficients
-----------------------------------------
1 2 3 4 5
1 -1.01080567 -0.02886790 -0.06310860 -0.05315846 0.00000000
2 0.00495723 0.00919189 -0.23109378 -0.05943414 0.00000000
3 0.00754881 -0.11905055 2.51131803 0.60232446 0.00000000
4 0.00271245 0.08524355 -1.94355418 -0.47318850 0.00000000
5 0.00000000 0.00000000 0.00000000 0.00000000 0.03484745
6 0.00000000 0.00000000 0.00000000 0.00000000 -0.73008062
7 0.00000825 0.02246591 -0.00310334 0.18587028 0.00000000
8 0.00000000 0.00000000 0.00000000 0.00000000 -0.12579137
9 0.00000000 0.00000000 0.00000000 0.00000000 2.63542511
10 -0.00003024 -0.08083525 0.01122268 -0.67145299 0.00000000
11 0.00000000 0.00000000 0.00000000 0.00000000 0.07138092
12 0.00000000 0.00000000 0.00000000 0.00000000 -1.49548460
13 0.00000227 0.03971459 -0.00522372 0.35361588 0.00000000
14 -0.00071915 0.00134155 -0.02327205 -0.00489825 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000002
17 -0.00071915 0.00134155 -0.02327205 -0.00489825 0.00000000
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000052
19 -0.00071896 0.00099407 -0.02323815 -0.00619255 0.00000000
20 -0.00093462 0.01212185 -0.26624872 -0.06621234 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000007
23 -0.00093462 0.01212185 -0.26624872 -0.06621234 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000147
25 -0.00093594 0.01396888 -0.26640357 -0.05975037 0.00000000
26 0.00000000 0.00000000 0.00000000 0.00000000 0.05071291
27 0.00000000 0.00000000 0.00000000 0.00000000 -0.47515290
28 0.00000583 0.01470996 -0.00204134 0.12136414 0.00000000
29 0.00000000 0.00000000 0.00000000 0.00000000 0.02267950
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.00000000 0.02267951
32 0.00000000 0.00000000 0.00000000 0.00000000 -1.06247418
33 0.00000583 0.01470996 -0.00204134 0.12136414 0.00000000
34 0.00000000 0.00000000 0.00000000 0.00000000 -0.47515307
35 0.00001291 0.03297275 -0.00457187 0.27166171 0.00000000
36 -0.00268094 0.72395602 0.11151350 -0.01750409 0.00000000
37 0.00016341 0.02150207 -0.03548922 0.35173122 0.00000000
38 0.00220705 -0.78801629 0.23557226 -2.92546407 0.00000000
39 -0.00077679 0.87440473 -0.06768578 1.77434373 0.00000000
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00095807
41 0.00000000 0.00000000 0.00000000 0.00000000 -0.02007230
42 -0.00015803 -0.00138546 0.07981945 0.01802812 0.00000000
43 0.00000000 0.00000000 0.00000000 0.00000000 -0.00348831
44 0.00000000 0.00000000 0.00000000 0.00000000 0.07308266
45 0.00066219 0.00503064 -0.29044553 -0.06568238 0.00000000
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00165512
47 0.00000000 0.00000000 0.00000000 0.00000000 -0.03467596
48 -0.00002207 -0.00223549 0.13411936 0.03584555 0.00000000
49 -0.00002964 0.00900967 -0.00233912 0.02515171 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000197
52 -0.00002964 0.00900967 -0.00233912 0.02515171 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000000 -0.00004131
54 -0.00005923 0.00898547 -0.00133001 0.02537883 0.00000000
55 -0.00027930 0.08006598 -0.02520224 0.32072043 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000795
58 -0.00027930 0.08006598 -0.02520224 0.32072043 0.00000000
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00016648
60 -0.00020730 0.08018259 -0.03002611 0.31955357 0.00000000
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00140901
62 0.00000000 0.00000000 0.00000000 0.00000000 -0.01320169
63 -0.00011094 -0.00091017 0.05240231 0.01168548 0.00000000
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00063013
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00063051
67 0.00000000 0.00000000 0.00000000 0.00000000 -0.02951987
68 -0.00011094 -0.00091017 0.05240231 0.01168548 0.00000000
69 0.00000000 0.00000000 0.00000000 0.00000000 -0.01320975
70 -0.00025756 -0.00204010 0.11738070 0.02617626 0.00000000
6 7 8 9 10
1 0.00000000 0.02174739 0.00000000 0.00000000 0.14701373
2 0.00000000 0.00835402 0.00000000 0.00000000 -0.00552869
3 0.00000000 -0.05848662 0.00000000 0.00000000 0.10711031
4 0.00000000 0.02818734 0.00000000 0.00000000 -0.33039970
5 0.73008062 0.00000000 -0.01204525 -0.00261629 0.00000000
6 0.03484745 0.00000000 0.00261629 -0.01204525 0.00000000
7 0.00000000 0.68046888 0.00000000 0.00000000 -0.16212481
8 -2.63542511 0.00000000 0.04333753 0.00941313 0.00000000
9 -0.12579137 0.00000000 -0.00941313 0.04333753 0.00000000
10 0.00000000 -2.45631306 0.00000000 0.00000000 0.58309495
11 1.49548460 0.00000000 -0.02985197 -0.00648400 0.00000000
12 0.07138092 0.00000000 0.00648400 -0.02985197 0.00000000
13 0.00000000 1.39399958 0.00000000 0.00000000 -0.40178726
14 0.00000000 0.00038768 0.00000000 0.00000000 0.00130948
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.00000052 0.00000000 -0.00004410 -0.00000958 0.00000000
17 0.00000000 0.00038768 0.00000000 0.00000000 0.00130948
18 -0.00000002 0.00000000 0.00000958 -0.00004410 0.00000000
19 0.00000000 0.00077197 0.00000000 0.00000000 0.00037849
20 0.00000000 0.00817500 0.00000000 0.00000000 0.00340802
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000147 0.00000000 0.00018642 0.00004049 0.00000000
23 0.00000000 0.00817500 0.00000000 0.00000000 0.00340802
24 0.00000007 0.00000000 -0.00004049 0.00018642 0.00000000
25 0.00000000 0.00614584 0.00000000 0.00000000 0.00753605
26 1.06247418 0.00000000 -0.01726505 -0.00375006 0.00000000
27 0.02267950 0.00000000 0.00167708 -0.00772117 0.00000000
28 0.00000000 0.44294713 0.00000000 0.00000000 -0.10403878
29 0.47515290 0.00000000 -0.00772117 -0.00167708 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.47515307 0.00000000 -0.00771244 -0.00167518 0.00000000
32 0.05071291 0.00000000 0.00375006 -0.01726505 0.00000000
33 0.00000000 0.44294713 0.00000000 0.00000000 -0.10403878
34 0.02267951 0.00000000 0.00167518 -0.00771244 0.00000000
35 0.00000000 0.99037648 0.00000000 0.00000000 -0.23245171
36 0.00000000 0.07868968 0.00000000 0.00000000 -0.04836412
37 0.00000000 -0.08613252 0.00000000 0.00000000 0.03093609
38 0.00000000 0.67955305 0.00000000 0.00000000 -0.22450467
39 0.00000000 -0.55930320 0.00000000 0.00000000 0.22859582
40 0.02007230 0.00000000 0.77733234 0.16884045 0.00000000
41 0.00095807 0.00000000 -0.16884045 0.77733234 0.00000000
42 0.00000000 -0.26713016 0.00000000 0.00000000 -0.73722416
43 -0.07308266 0.00000000 -2.83127258 -0.61496649 0.00000000
44 -0.00348831 0.00000000 0.61496649 -2.83127258 0.00000000
45 0.00000000 0.97277464 0.00000000 0.00000000 2.68519334
46 0.03467596 0.00000000 1.51485544 0.32903414 0.00000000
47 0.00165512 0.00000000 -0.32903414 1.51485544 0.00000000
48 0.00000000 -0.47082515 0.00000000 0.00000000 -1.46533006
49 0.00000000 -0.00397489 0.00000000 0.00000000 0.00062178
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00004131 0.00000000 -0.00000107 -0.00000023 0.00000000
52 0.00000000 -0.00397489 0.00000000 0.00000000 0.00062178
53 0.00000197 0.00000000 0.00000023 -0.00000107 0.00000000
54 0.00000000 -0.00459326 0.00000000 0.00000000 0.00117049
55 0.00000000 -0.06408567 0.00000000 0.00000000 0.01854403
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.00016648 0.00000000 0.00000515 0.00000112 0.00000000
58 0.00000000 -0.06408567 0.00000000 0.00000000 0.01854403
59 -0.00000795 0.00000000 -0.00000112 0.00000515 0.00000000
60 0.00000000 -0.06155431 0.00000000 0.00000000 0.01607421
61 0.02951987 0.00000000 1.13392022 0.24629311 0.00000000
62 0.00063013 0.00000000 -0.11014563 0.50710454 0.00000000
63 0.00000000 -0.17540491 0.00000000 0.00000000 -0.48034264
64 0.01320169 0.00000000 0.50710454 0.11014563 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.01320975 0.00000000 0.50710443 0.11014561 0.00000000
67 0.00140901 0.00000000 -0.24629311 1.13392022 0.00000000
68 0.00000000 -0.17540491 0.00000000 0.00000000 -0.48034264
69 0.00063051 0.00000000 -0.11014561 0.50710443 0.00000000
70 0.00000000 -0.39233884 0.00000000 0.00000000 -1.07397093
11 12 13 14 15
1 -2.89725587 -0.05356595 -0.01687394 0.00000000 0.00000000
2 -1.31221246 -0.03744162 -0.02016408 0.00000000 0.00000000
3 6.78311347 0.22778371 0.06563883 0.00000000 0.00000000
4 -0.73171979 -0.13570556 -0.01772848 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 1.06200395 -1.98641409
6 0.00000000 0.00000000 0.00000000 1.98641409 1.06200395
7 0.01260694 0.05130277 2.10633439 0.00000000 0.00000000
8 0.00000000 0.00000000 0.00000000 -4.03272546 7.54296879
9 0.00000000 0.00000000 0.00000000 -7.54296879 -4.03272546
10 -0.04738125 -0.19645991 -7.99601291 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.76992740 -1.44010258
12 0.00000000 0.00000000 0.00000000 1.44010258 0.76992740
13 -0.00520113 -0.04316108 1.52769662 0.00000000 0.00000000
14 -0.06034555 0.00014469 -0.00059253 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 -0.00000426 0.00000797
17 -0.06034555 0.00014469 -0.00059253 0.00000000 0.00000000
18 0.00000000 0.00000000 0.00000000 -0.00000797 -0.00000426
19 -0.06088625 -0.00467316 0.00099226 0.00000000 0.00000000
20 -0.97127642 -0.03573494 -0.00320121 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00002917 -0.00005456
23 -0.97127642 -0.03573494 -0.00320121 0.00000000 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00005456 0.00002917
25 -0.96842919 -0.00904089 -0.01392442 0.00000000 0.00000000
26 0.00000000 0.00000000 0.00000000 1.56941691 -2.93549931
27 0.00000000 0.00000000 0.00000000 1.31279520 0.70186458
28 0.00869478 0.03519512 1.39233449 0.00000000 0.00000000
29 0.00000000 0.00000000 0.00000000 0.70186458 -1.31279520
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.70186487 -1.31279574
32 0.00000000 0.00000000 0.00000000 2.93549931 1.56941691
33 0.00869478 0.03519512 1.39233449 0.00000000 0.00000000
34 0.00000000 0.00000000 0.00000000 1.31279574 0.70186487
35 0.01953103 0.07946087 3.11324703 0.00000000 0.00000000
36 -0.00567126 2.99241161 -0.09801723 0.00000000 0.00000000
37 0.01283750 1.28589774 -0.13379400 0.00000000 0.00000000
38 -0.10694391 -6.69258680 0.44016226 0.00000000 0.00000000
39 0.13741812 0.59629545 -0.16054541 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 0.03516077 -0.06576609
41 0.00000000 0.00000000 0.00000000 0.06576609 0.03516077
42 0.00892951 0.01103111 -0.82490592 0.00000000 0.00000000
43 0.00000000 0.00000000 0.00000000 -0.13230990 0.24747765
44 0.00000000 0.00000000 0.00000000 -0.24747765 -0.13230990
45 -0.03631348 -0.04106261 3.10411293 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 0.02324757 -0.04348317
47 0.00000000 0.00000000 0.00000000 0.04348317 0.02324757
48 -0.09410131 -0.00623108 -0.54439022 0.00000000 0.00000000
49 -0.00110516 0.06289317 0.00082307 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00009728 -0.00018195
52 -0.00110516 0.06289317 0.00082307 0.00000000 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00018195 0.00009728
54 0.00312169 0.06348686 -0.00198898 0.00000000 0.00000000
55 0.01559905 1.00246670 -0.05393710 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 -0.00059377 0.00111062
58 0.01559905 1.00246670 -0.05393710 0.00000000 0.00000000
59 0.00000000 0.00000000 0.00000000 -0.00111062 -0.00059377
60 -0.00662488 0.99934438 -0.03682143 0.00000000 0.00000000
61 0.00000000 0.00000000 0.00000000 0.05209849 -0.09744707
62 0.00000000 0.00000000 0.00000000 0.04357966 0.02329915
63 0.00724127 0.00760767 -0.54658442 0.00000000 0.00000000
64 0.00000000 0.00000000 0.00000000 0.02329915 -0.04357966
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 0.02330555 -0.04359161
67 0.00000000 0.00000000 0.00000000 0.09744707 0.05209849
68 0.00724127 0.00760767 -0.54658442 0.00000000 0.00000000
69 0.00000000 0.00000000 0.00000000 0.04359161 0.02330555
70 0.01689909 0.01710417 -1.22238583 0.00000000 0.00000000
16 17 18 19 20
1 0.00000000 0.00000000 -0.05868690 0.00000000 0.00000000
2 0.00000000 0.00000000 -0.13990660 0.00000000 0.00000000
3 0.00000000 0.00000000 0.38802932 0.00000000 0.00000000
4 0.00000000 0.00000000 -0.18129537 0.00000000 0.00000000
5 -0.07205815 0.00056680 0.00000000 0.00000000 0.00000000
6 0.00056680 0.07205815 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -0.79824428 0.00000000 0.00000000
8 0.27486537 -0.00216206 0.00000000 0.00000000 0.00000000
9 -0.00216206 -0.27486537 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 3.04756671 0.00000000 0.00000000
11 -0.05494010 0.00043215 0.00000000 0.00000000 0.00000000
12 0.00043215 0.05494010 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -0.61925462 0.00000000 0.00000000
14 0.00000000 0.00000000 0.00450787 -0.12726157 0.00020735
15 0.00000000 0.00000000 0.00000000 0.00023943 0.14694901
16 -0.00032710 0.00000257 0.00000000 -0.00000000 0.00000000
17 0.00000000 0.00000000 0.00450787 0.12726157 -0.00020735
18 0.00000257 0.00032710 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.00399943 0.00000000 0.00000000
20 0.00000000 0.00000000 -0.05173898 0.93424965 -0.00152218
21 0.00000000 0.00000000 0.00000000 -0.00175766 -1.07877857
22 0.00216339 -0.00001702 0.00000000 0.00000000 -0.00000000
23 0.00000000 0.00000000 -0.05173898 -0.93424965 0.00152218
24 -0.00001702 -0.00216339 0.00000000 -0.00000000 -0.00000000
25 0.00000000 0.00000000 0.00562368 0.00000000 0.00000000
26 -0.10608724 0.00083447 0.00000000 0.00000000 0.00000000
27 0.00037319 0.04744366 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 -0.52522660 -0.00000098 0.00000000
29 -0.04744366 0.00037319 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000113
31 -0.04742874 0.00037307 0.00000000 0.00000000 0.00000000
32 0.00083447 0.10608724 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 -0.52522660 0.00000098 -0.00000000
34 0.00037307 0.04742874 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 -1.17408920 0.00000000 0.00000000
36 0.00000000 0.00000000 0.04128078 0.00000000 0.00000000
37 0.00000000 0.00000000 0.08228544 0.00000000 0.00000000
38 0.00000000 0.00000000 -0.24285773 0.00000000 0.00000000
39 0.00000000 0.00000000 0.10821597 0.00000000 0.00000000
40 2.28504505 -0.01797391 0.00000000 0.00000000 0.00000000
41 -0.01797391 -2.28504505 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 -2.13139088 0.00000000 0.00000000
43 -8.63240631 0.06790156 0.00000000 0.00000000 0.00000000
44 0.06790156 8.63240631 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 8.06034255 0.00000000 0.00000000
46 1.59658204 -0.01255854 0.00000000 0.00000000 0.00000000
47 -0.01255854 -1.59658204 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 -1.51620988 0.00000000 0.00000000
49 0.00000000 0.00000000 -0.00250906 -0.00000172 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000199
51 -0.00000563 0.00000004 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.00250906 0.00000172 -0.00000000
53 0.00000004 0.00000563 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.00312821 0.00000000 0.00000000
55 0.00000000 0.00000000 0.03606257 0.00001209 -0.00000002
56 0.00000000 0.00000000 0.00000000 -0.00000002 -0.00001396
57 0.00003067 -0.00000024 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 0.03606257 -0.00001209 0.00000002
59 -0.00000024 -0.00003067 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 -0.00070848 0.00000000 0.00000000
61 3.37344359 -0.02653514 0.00000000 0.00000000 0.00000000
62 -0.01186687 -1.50864984 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 -1.40588321 -0.00000003 0.00000000
64 1.50864984 -0.01186687 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000003
66 1.50864963 -0.01186687 0.00000000 0.00000000 0.00000000
67 -0.02653514 -3.37344359 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 -1.40588321 0.00000003 0.00000000
69 -0.01186687 -1.50864963 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 -3.14336004 0.00000000 0.00000000
21 22 23 24 25
1 0.00000000 0.00000000 0.00172698 0.00000000 0.00000000
2 0.00000000 0.00000000 0.01327916 0.00000000 0.00000000
3 0.00000000 0.00000000 -0.03128075 0.00000000 0.00000000
4 0.00000000 0.00000000 0.02013647 0.00000000 0.00000000
5 -0.00001566 -0.00000790 0.00000000 -0.00000001 0.00000000
6 0.00000790 -0.00001566 0.00000000 -0.00000001 -0.00000000
7 0.00000000 0.00000000 0.04025546 0.00000000 0.00000000
8 0.00005951 0.00003001 0.00000000 0.00000002 -0.00000001
9 -0.00003001 0.00005951 0.00000000 0.00000002 0.00000001
10 0.00000000 0.00000000 -0.15494756 0.00000000 0.00000000
11 -0.00001739 -0.00000877 0.00000000 -0.00000001 0.00000000
12 0.00000877 -0.00001739 0.00000000 -0.00000000 -0.00000000
13 0.00000000 0.00000000 0.03559118 0.00000000 0.00000000
14 -0.00000000 0.00000000 0.07305019 -0.00000161 0.00000000
15 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000186
16 0.13120956 0.06616649 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.07305019 0.00000161 -0.00000000
18 -0.06616649 0.13120956 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.14701400 0.00000000 0.00000000
20 0.00000000 0.00000000 -0.53713716 0.00001204 -0.00000002
21 0.00000000 0.00000000 0.00000000 0.00000002 0.00001391
22 -0.96323308 -0.48574018 0.00000000 -0.00000000 0.00000000
23 -0.00000000 -0.00000000 -0.53713716 -0.00001204 0.00000002
24 0.48574018 -0.96323308 0.00000000 -0.00000000 -0.00000000
25 0.00000000 0.00000000 1.07959276 0.00000000 0.00000000
26 -0.00002285 -0.00001152 0.00000000 -0.00000001 0.00000000
27 0.00000515 -0.00001022 0.00000000 -0.00000000 -0.00000000
28 0.00000000 0.00000000 0.02632698 -0.00000002 0.00000000
29 -0.00001022 -0.00000515 0.00000000 -0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000003
31 -0.00000847 -0.00000427 0.00000000 -0.00000000 0.00000000
32 0.00001152 -0.00002285 0.00000000 -0.00000001 -0.00000001
33 0.00000000 0.00000000 0.02632698 0.00000002 0.00000000
34 0.00000427 -0.00000847 0.00000000 -0.00000000 -0.00000000
35 0.00000000 0.00000000 0.05876411 0.00000000 0.00000000
36 0.00000000 0.00000000 0.00490301 0.00000000 0.00000000
37 0.00000000 0.00000000 -0.08085803 0.00000000 0.00000000
38 0.00000000 0.00000000 0.13536471 0.00000000 0.00000000
39 0.00000000 0.00000000 -0.07894178 0.00000000 0.00000000
40 0.00390597 0.00196971 0.00000000 0.00000000 0.00000000
41 -0.00196971 0.00390597 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.06683099 0.00000000 0.00000000
43 -0.01495298 -0.00754050 0.00000000 0.00000000 0.00000000
44 0.00754050 -0.01495298 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 -0.25561160 0.00000000 0.00000000
46 0.00310496 0.00156577 0.00000000 0.00000000 0.00000000
47 -0.00156577 0.00310496 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.05345219 0.00000000 0.00000000
49 0.00000000 0.00000000 0.00354026 0.13012440 -0.00017170
50 0.00000000 0.00000000 0.00000000 0.00019826 0.15025471
51 -0.00002974 -0.00001500 0.00000000 0.00000039 -0.00000015
52 0.00000000 0.00000000 0.00354026 -0.13012440 0.00017170
53 0.00001500 -0.00002974 0.00000000 0.00000033 0.00000023
54 0.00000000 0.00000000 0.00086198 0.00000000 0.00000000
55 0.00000000 0.00000000 -0.01194260 -0.93564169 0.00123460
56 0.00000000 0.00000000 0.00000000 -0.00142559 -1.08038597
57 0.00020814 0.00010496 0.00000000 -0.00000279 0.00000109
58 0.00000000 0.00000000 -0.01194260 0.93564169 -0.00123460
59 -0.00010496 0.00020814 0.00000000 -0.00000240 -0.00000169
60 0.00000000 0.00000000 0.00687964 0.00000000 0.00000000
61 0.00570089 0.00287485 0.00000000 0.00000000 0.00000000
62 -0.00128567 0.00254952 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 0.04366179 -0.00000104 0.00000000
64 0.00254952 0.00128567 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000120
66 0.00254923 0.00128553 0.00000000 0.00000000 0.00000000
67 -0.00287485 0.00570089 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 0.04366179 0.00000104 -0.00000000
69 -0.00128553 0.00254923 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 0.09759943 0.00000000 0.00000000
26 27 28 29 30
1 0.00000000 0.00000000 -0.02122408 1.77570010 0.02777291
2 0.00000000 0.00000000 0.07575777 -0.20928247 0.01680625
3 0.00000000 0.00000000 -0.09209424 -6.08881367 -0.17399426
4 0.00000000 0.00000000 0.07447410 0.51269692 0.08478044
5 0.00004284 -0.00237202 0.00000000 0.00000000 0.00000000
6 -0.00237202 -0.00004284 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.03727026 0.00153089 0.02883174
8 -0.00016699 0.00924531 0.00000000 0.00000000 0.00000000
9 0.00924531 0.00016699 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 -0.14492857 -0.01471831 -0.14699683
11 0.00003846 -0.00212948 0.00000000 0.00000000 0.00000000
12 -0.00212948 -0.00003846 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 0.03353150 0.01196352 0.08259631
14 0.00000000 0.00000000 -0.00253938 0.12722414 0.00227253
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.00000056 0.00003097 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 -0.00253938 0.12722414 0.00227253
18 0.00003097 0.00000056 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.00482543 0.12708278 0.00074182
20 0.00000000 0.00000000 -0.00941916 1.89214564 0.02684705
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000420 -0.00023236 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.00941916 1.89214564 0.02684705
24 -0.00023236 -0.00000420 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00779103 1.89522640 0.05915960
26 0.00006204 -0.00343480 0.00000000 0.00000000 0.00000000
27 -0.00153609 -0.00002775 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 0.02418539 0.00037210 0.01687079
29 0.00002775 -0.00153609 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00002774 -0.00153578 0.00000000 0.00000000 0.00000000
32 -0.00343480 -0.00006204 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 0.02418539 0.00037210 0.01687079
34 -0.00153578 -0.00002774 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 0.05404876 0.00065056 0.03557352
36 0.00000000 0.00000000 -0.00167071 0.02725395 -1.77801498
37 0.00000000 0.00000000 -0.01332672 -0.02500668 0.27976881
38 0.00000000 0.00000000 0.03062749 -0.01188754 5.98016397
39 0.00000000 0.00000000 -0.01881591 -0.07140204 -0.48640964
40 0.00000033 -0.00001828 0.00000000 0.00000000 0.00000000
41 -0.00001828 -0.00000033 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.03930318 0.04625822 0.00263828
43 -0.00000127 0.00007011 0.00000000 0.00000000 0.00000000
44 0.00007011 0.00000127 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 -0.15027743 -0.20648336 -0.01942989
46 0.00000016 -0.00000887 0.00000000 0.00000000 0.00000000
47 -0.00000887 -0.00000016 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.03315991 0.09198506 0.01398573
49 -0.00000028 -0.00000034 -0.07473862 0.00140016 -0.12379071
50 -0.00000024 0.00000015 0.00000000 0.00000000 0.00000000
51 -0.00271348 0.15023028 0.00000000 0.00000000 0.00000000
52 0.00000028 0.00000034 -0.07473862 0.00140016 -0.12379071
53 0.15023028 0.00271348 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.15037357 0.00366623 -0.12360389
55 0.00000203 0.00000246 0.53790372 0.03310003 -1.87101991
56 0.00000171 -0.00000106 0.00000000 0.00000000 0.00000000
57 0.01951091 -1.08020998 0.00000000 0.00000000 0.00000000
58 -0.00000203 -0.00000246 0.53790372 0.03310003 -1.87101991
59 -1.08020998 -0.01951091 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 -1.08175883 -0.00313545 -1.87494349
61 0.00000049 -0.00002691 0.00000000 0.00000000 0.00000000
62 -0.00001203 -0.00000022 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 0.02569804 0.02832805 0.00102057
64 0.00000022 -0.00001203 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000025 -0.00001397 0.00000000 0.00000000 0.00000000
67 -0.00002691 -0.00000049 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 0.02569804 0.02832805 0.00102057
69 -0.00001397 -0.00000025 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 0.05737155 0.06130136 0.00203988
31 32 33 34 35
1 -0.01104365 0.00000000 0.00000000 0.00000000 0.00000000
2 0.02350981 0.00000000 0.00000000 0.00000000 0.00000000
3 -0.06576663 0.00000000 0.00000000 0.00000000 0.00000000
4 0.02917923 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 -2.35326171 -3.37006614 -0.19965678 0.00567867
6 0.00000000 -3.37006614 2.35326171 0.00567867 0.19965678
7 -3.67549751 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 7.32565499 10.49094615 0.62252313 -0.01770590
9 0.00000000 10.49094615 -7.32565499 -0.01770590 -0.62252313
10 11.44076978 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 -0.74152321 -1.06192280 -0.06488616 0.00184550
12 0.00000000 -1.06192280 0.74152321 0.00184550 0.06488616
13 -1.15581125 0.00000000 0.00000000 0.00000000 0.00000000
14 -0.00020303 0.00000000 0.00000000 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000196 0.00000281 -0.00004659 0.00000133
17 -0.00020303 0.00000000 0.00000000 0.00000000 0.00000000
18 0.00000000 0.00000281 -0.00000196 0.00000133 0.00004659
19 -0.00026201 0.00000000 0.00000000 0.00000000 0.00000000
20 0.01617066 0.00000000 0.00000000 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000404 0.00000578 -0.00014854 0.00000422
23 0.01617066 0.00000000 0.00000000 0.00000000 0.00000000
24 0.00000000 0.00000578 -0.00000404 0.00000422 0.00014854
25 0.01512451 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 -3.52047244 -5.04160881 -0.29796089 0.00847465
27 0.00000000 -2.25467600 1.57440314 0.00378998 0.13325216
28 -2.46000437 0.00000000 0.00000000 0.00000000 0.00000000
29 0.00000000 -1.57440314 -2.25467600 -0.13325216 0.00378998
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 -1.57440422 -2.25467756 -0.13320872 0.00378874
32 0.00000000 -5.04160881 3.52047244 0.00847465 0.29796089
33 -2.46000437 0.00000000 0.00000000 0.00000000 0.00000000
34 0.00000000 -2.25467756 1.57440422 0.00378874 0.13320872
35 -5.50040673 0.00000000 0.00000000 0.00000000 0.00000000
36 -0.04639809 0.00000000 0.00000000 0.00000000 0.00000000
37 0.08527745 0.00000000 0.00000000 0.00000000 0.00000000
38 -0.23088530 0.00000000 0.00000000 0.00000000 0.00000000
39 0.11599093 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 -0.10936308 -0.15661701 4.08501801 -0.11618672
41 0.00000000 -0.15661701 0.10936308 -0.11618672 -4.08501801
42 1.78048911 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.33991471 0.48678609 -12.72023875 0.36179102
44 0.00000000 0.48678609 -0.33991471 0.36179102 12.72023875
45 -5.53192213 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 -0.03311886 -0.04742896 1.28058908 -0.03642271
47 0.00000000 -0.04742896 0.03311886 -0.03642271 -1.28058908
48 0.53611593 0.00000000 0.00000000 0.00000000 0.00000000
49 -0.00152042 0.00000000 0.00000000 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 -0.00002479 -0.00003551 -0.00000071 0.00000002
52 -0.00152042 0.00000000 0.00000000 0.00000000 0.00000000
53 0.00000000 -0.00003551 0.00002479 0.00000002 0.00000071
54 -0.00097767 0.00000000 0.00000000 0.00000000 0.00000000
55 0.05491057 0.00000000 0.00000000 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 -0.00008802 -0.00012605 -0.00000733 0.00000021
58 0.05491057 0.00000000 0.00000000 0.00000000 0.00000000
59 0.00000000 -0.00012605 0.00008802 0.00000021 0.00000733
60 0.05667640 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 -0.16446400 -0.23552610 6.12752553 -0.17428004
62 0.00000000 -0.10533047 0.07355054 -0.07794040 -2.74031272
63 1.19782313 0.00000000 0.00000000 0.00000000 0.00000000
64 0.00000000 -0.07355054 -0.10533047 2.74031272 -0.07794040
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 -0.07357328 -0.10536305 2.74031062 -0.07794034
67 0.00000000 -0.23552610 0.16446400 -0.17428004 -6.12752553
68 1.19782313 0.00000000 0.00000000 0.00000000 0.00000000
69 0.00000000 -0.10536305 0.07357328 -0.07794034 -2.74031062
70 2.67885224 0.00000000 0.00000000 0.00000000 0.00000000
36 37 38 39 40
1 0.07335074 0.00000000 0.00000000 0.00000000 0.00000000
2 -0.11170892 0.00000000 0.00000000 0.00000000 0.00000000
3 0.27007463 0.00000000 0.00000000 0.00000000 0.00000000
4 -0.15117839 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7 -1.89018576 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10 5.90092287 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13 -0.62734978 0.00000000 0.00000000 0.00000000 0.00000000
14 0.00258851 0.00000000 0.00000000 0.00000113 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000131
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00258851 0.00000000 0.00000000 -0.00000113 -0.00000000
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00151869 0.00000000 0.00000000 0.00000000 0.00000000
20 -0.06330102 0.00000000 0.00000000 -0.00000154 -0.00000000
21 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000177
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
23 -0.06330102 0.00000000 0.00000000 0.00000154 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
25 -0.06733170 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 -0.00366907 -0.79056057 0.00000000 0.00000000
27 0.00000000 1.06064890 -0.00492257 0.00000000 0.00000001
28 -1.26029495 0.00000000 -0.00000000 -0.86602415 -0.00147185
29 0.00000000 0.00492257 1.06064890 -0.00000000 -0.00000000
30 0.00000000 -0.00000000 0.00000000 -0.00169954 0.99999856
31 0.00000000 -0.00000000 -0.00000059 -0.00000000 0.00000000
32 0.00000000 -0.79056057 0.00366907 -0.00000000 -0.00000000
33 -1.26029495 -0.00000000 0.00000000 0.86602415 0.00147185
34 0.00000000 -0.00000059 0.00000000 0.00000000 -0.00000000
35 -2.81686107 0.00000000 0.00000000 0.00000000 0.00000000
36 -0.04828549 0.00000000 0.00000000 0.00000000 0.00000000
37 0.07392795 0.00000000 0.00000000 0.00000000 0.00000000
38 -0.18210015 0.00000000 0.00000000 0.00000000 0.00000000
39 0.10287423 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
42 -3.70319108 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
44 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
45 11.54451208 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
48 -1.18478070 0.00000000 0.00000000 0.00000000 0.00000000
49 -0.00186198 0.00000000 0.00000000 0.00000002 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000002
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
52 -0.00186198 0.00000000 0.00000000 -0.00000002 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54 -0.00102266 0.00000000 0.00000000 0.00000000 0.00000000
55 0.04242658 0.00000000 0.00000000 0.00000001 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000002
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
58 0.04242658 0.00000000 0.00000000 -0.00000001 0.00000000
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60 0.04627671 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 -0.00000000 -0.00000006 0.00000000 0.00000000
62 0.00000000 0.00000008 -0.00000000 0.00000000 0.00000000
63 -2.48133091 0.00000000 0.00000000 0.00000082 0.00000000
64 0.00000000 0.00000000 0.00000008 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000094
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
67 0.00000000 -0.00000006 0.00000000 0.00000000 0.00000000
68 -2.48133091 0.00000000 0.00000000 -0.00000082 -0.00000000
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
70 -5.54727512 0.00000000 0.00000000 0.00000000 0.00000000
41 42 43 44 45
1 0.00000000 0.00000000 -0.00242226 0.00000000 0.00000000
2 0.00000000 0.00000000 0.00181588 0.00000000 0.00000000
3 0.00000000 0.00000000 -0.00164627 0.00000000 0.00000000
4 0.00000000 0.00000000 0.00232831 0.00000000 0.00000000
5 0.00000002 0.00000031 0.00000000 0.00000000 0.00000000
6 0.00000031 -0.00000002 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.00240503 0.00000000 0.00000000
8 -0.00000003 -0.00000038 0.00000000 0.00000000 -0.00000000
9 -0.00000038 0.00000003 0.00000000 -0.00000000 -0.00000000
10 0.00000000 0.00000000 -0.00761328 0.00000000 0.00000000
11 0.00000001 0.00000011 0.00000000 0.00000000 0.00000000
12 0.00000011 -0.00000001 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 0.00139425 0.00000000 0.00000000
14 0.00000000 0.00000000 -0.00011571 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.00000013 -0.00000167 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 -0.00011571 0.00000000 0.00000000
18 -0.00000167 0.00000013 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.00000077 0.00000000 0.00000000
20 0.00000000 0.00000000 0.00041039 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000018 0.00000223 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 0.00041039 0.00000000 0.00000000
24 0.00000223 -0.00000018 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00050403 0.00000000 0.00000000
26 -0.04895816 -0.61041254 0.00000000 -0.00000003 0.00000005
27 -0.27298403 0.02189470 0.00000000 -0.00000007 -0.00000004
28 0.00000000 -0.00000000 -0.66933597 0.00000000 0.00000000
29 -0.02189469 -0.27298402 0.00000000 0.00000004 -0.00000007
30 0.00000000 -0.00000000 0.00000000 0.00000000 0.00000000
31 0.08757898 1.09193866 0.00000000 0.00000000 0.00000000
32 -0.61041254 0.04895816 0.00000000 0.00000005 0.00000003
33 -0.00000000 0.00000000 -0.66933597 0.00000000 0.00000000
34 1.09193866 -0.08757898 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 1.00332351 0.00000000 0.00000000
36 0.00000000 0.00000000 0.02667238 0.00000000 0.00000000
37 0.00000000 0.00000000 -0.01695711 0.00000000 0.00000000
38 0.00000000 0.00000000 0.00611829 0.00000000 0.00000000
39 0.00000000 0.00000000 -0.01599036 0.00000000 0.00000000
40 -0.00001530 -0.00019075 0.00000000 0.00000000 0.00000000
41 -0.00019075 0.00001530 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.00239236 0.00000000 0.00000000
43 0.00004704 0.00058654 0.00000000 0.00000000 0.00000000
44 0.00058654 -0.00004704 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 -0.00740564 0.00000000 0.00000000
46 -0.00000723 -0.00009014 0.00000000 0.00000000 0.00000000
47 -0.00009014 0.00000723 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.00118189 0.00000000 0.00000000
49 0.00000000 0.00000000 0.00093076 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000002 0.00000020 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 0.00093076 0.00000000 0.00000000
53 0.00000020 -0.00000002 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.00090457 0.00000000 0.00000000
55 0.00000000 0.00000000 -0.00335454 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000001 0.00000013 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 -0.00335454 0.00000000 0.00000000
59 0.00000013 -0.00000001 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 -0.00337503 0.00000000 0.00000000
61 -0.00002108 -0.00026281 0.00000000 0.36541341 -0.70105097
62 -0.00011753 0.00000943 0.00000000 0.94055915 0.49025384
63 0.00000000 0.00000000 0.00166867 -0.00000000 -0.00000000
64 -0.00000943 -0.00011753 0.00000000 -0.49025384 0.94055915
65 0.00000000 0.00000000 0.00000000 -0.00000000 -0.00000000
66 -0.00000889 -0.00011088 0.00000000 0.00000031 -0.00000058
67 -0.00026281 0.00002108 0.00000000 -0.70105097 -0.36541342
68 0.00000000 0.00000000 0.00166867 0.00000000 0.00000000
69 -0.00011088 0.00000889 0.00000000 -0.00000058 -0.00000030
70 0.00000000 0.00000000 0.00296610 0.00000000 0.00000000
46 47 48 49 50
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.02729071
2 0.00000000 0.00000000 0.00000000 0.00000000 0.01709299
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.00535133
4 0.00000000 0.00000000 0.00000000 0.00000000 0.01604436
5 0.00000000 0.00000000 -0.00006461 0.00016514 0.00000000
6 0.00000000 0.00000000 0.00016514 0.00006461 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00226691
8 0.00000000 0.00000000 0.00019786 -0.00050569 0.00000000
9 0.00000000 0.00000000 -0.00050569 -0.00019786 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.00699300
11 0.00000000 0.00000000 -0.00003091 0.00007899 0.00000000
12 0.00000000 0.00000000 0.00007899 0.00003091 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00113332
14 0.00000001 0.00000000 0.00000000 0.00000000 -0.00092621
15 0.00000000 -0.00000001 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 -0.00000003 0.00000008 0.00000000
17 -0.00000001 0.00000000 0.00000000 0.00000000 -0.00092621
18 0.00000000 0.00000000 0.00000008 0.00000003 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00089919
20 0.00000002 0.00000000 0.00000000 0.00000000 0.00320459
21 0.00000000 -0.00000003 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.00000007 0.00000018 0.00000000
23 -0.00000002 0.00000000 0.00000000 0.00000000 0.00320459
24 0.00000000 0.00000000 0.00000018 0.00000007 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00322399
26 0.00000000 0.00000000 -0.00008615 0.00022018 0.00000000
27 0.00000000 0.00000000 0.00009847 0.00003853 0.00000000
28 0.00000082 -0.00000000 0.00000000 0.00000000 0.00116958
29 0.00000000 0.00000000 -0.00003853 0.00009847 0.00000000
30 -0.00000000 -0.00000094 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.00004096 0.00010468 0.00000000
32 0.00000000 0.00000000 0.00022018 0.00008615 0.00000000
33 -0.00000082 0.00000000 0.00000000 0.00000000 0.00116958
34 0.00000000 0.00000000 0.00010468 0.00004096 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00338150
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00239396
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.00179905
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00164110
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.00230242
40 0.00000000 0.00000000 0.00000008 -0.00000020 0.00000000
41 0.00000000 0.00000000 -0.00000020 -0.00000008 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00238108
43 0.00000000 0.00000000 0.00000001 -0.00000002 0.00000000
44 0.00000000 0.00000000 -0.00000002 -0.00000001 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.00754317
46 0.00000000 0.00000000 -0.00000002 0.00000006 0.00000000
47 0.00000000 0.00000000 0.00000006 0.00000002 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00137489
49 0.00000124 -0.00000000 0.00000000 0.00000000 0.00011529
50 -0.00000000 -0.00000143 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000069 -0.00000176 0.00000000
52 -0.00000124 0.00000000 0.00000000 0.00000000 0.00011529
53 0.00000000 0.00000000 -0.00000176 -0.00000069 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000439
55 -0.00000164 0.00000000 0.00000000 0.00000000 -0.00041051
56 0.00000000 0.00000190 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.00000085 0.00000218 0.00000000
58 0.00000164 -0.00000000 0.00000000 0.00000000 -0.00041051
59 0.00000000 0.00000000 0.00000218 0.00000085 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.00050412
61 -0.00000001 0.00000000 -0.22312908 0.57027535 0.00000000
62 0.00000000 -0.00000000 0.25503410 0.09978605 0.00000000
63 0.86602320 -0.00195302 0.00000000 0.00000001 -0.66934698
64 -0.00000000 0.00000000 -0.09978605 0.25503410 0.00000000
65 -0.00225515 -0.99999746 0.00000000 0.00000000 0.00000000
66 0.00000001 -0.00000000 0.39914513 -1.02013880 0.00000000
67 -0.00000001 0.00000000 0.57027535 0.22312907 0.00000000
68 -0.86602320 0.00195302 -0.00000000 -0.00000001 -0.66934698
69 0.00000001 -0.00000000 -1.02013880 -0.39914513 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 1.00329897
51 52 53 54 55
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.02047941
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00996123
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00322902
4 0.00000000 0.00000000 0.00000000 0.00000000 0.01074681
5 0.00000000 0.00000000 0.00000381 -0.00000049 0.00000000
6 0.00000000 0.00000000 -0.00000049 -0.00000381 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00434492
8 0.00000000 0.00000000 -0.00001340 0.00000173 0.00000000
9 0.00000000 0.00000000 0.00000173 0.00001340 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.01108323
11 0.00000000 0.00000000 0.00000064 -0.00000008 0.00000000
12 0.00000000 0.00000000 -0.00000008 -0.00000064 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00306514
14 -0.01097949 1.05979110 0.00000000 -0.00000000 0.61163283
15 -1.22374136 -0.01267802 0.00000000 0.00000000 0.00000000
16 0.00000000 -0.00000000 1.21369480 -0.15699855 0.00000000
17 0.01097949 -1.05979110 -0.00000000 0.00000000 0.61163283
18 -0.00000000 -0.00000000 -0.15699855 -1.21369480 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -1.22411715
20 0.00534944 -0.51635254 -0.00000000 0.00000000 -0.29780792
21 0.59623255 0.00617700 -0.00000000 -0.00000000 0.00000000
22 -0.00000000 0.00000000 -0.59133769 0.07649300 0.00000000
23 -0.00534944 0.51635254 0.00000000 -0.00000000 -0.29780792
24 0.00000000 0.00000000 0.07649300 0.59133769 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.59699261
26 0.00000000 0.00000000 0.00000646 -0.00000084 0.00000000
27 0.00000000 0.00000000 -0.00000037 -0.00000289 0.00000000
28 -0.00000001 0.00000081 0.00000000 0.00000000 0.00171110
29 0.00000000 0.00000000 0.00000289 -0.00000037 0.00000000
30 -0.00000093 -0.00000001 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000452 -0.00000059 0.00000000
32 0.00000000 0.00000000 -0.00000084 -0.00000646 0.00000000
33 0.00000001 -0.00000081 0.00000000 0.00000000 0.00171110
34 0.00000000 0.00000000 -0.00000059 -0.00000452 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00403455
36 0.00000000 0.00000000 0.00000000 0.00000000 0.20786395
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.09561840
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.05960314
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.08515626
40 0.00000000 0.00000000 0.00039864 -0.00005157 0.00000000
41 0.00000000 0.00000000 -0.00005157 -0.00039864 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00557286
43 0.00000000 0.00000000 -0.00087608 0.00011333 0.00000000
44 0.00000000 0.00000000 0.00011333 0.00087608 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.01262197
46 0.00000000 0.00000000 0.00022126 -0.00002862 0.00000000
47 0.00000000 0.00000000 -0.00002862 -0.00022126 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00322432
49 -0.00000002 0.00000238 0.00000000 0.00000000 0.00578113
50 -0.00000275 -0.00000003 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 -0.00007108 0.00000920 0.00000000
52 0.00000002 -0.00000238 0.00000000 0.00000000 0.00578113
53 0.00000000 0.00000000 0.00000920 0.00007108 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00082372
55 0.00000001 -0.00000113 0.00000000 0.00000000 -0.00280923
56 0.00000130 0.00000001 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00003366 -0.00000435 0.00000000
58 -0.00000001 0.00000113 0.00000000 0.00000000 -0.00280923
59 0.00000000 0.00000000 -0.00000435 -0.00003366 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00030187
61 0.00000000 0.00000000 0.00028912 -0.00003740 0.00000000
62 0.00000000 0.00000000 -0.00001673 -0.00012930 0.00000000
63 0.00000000 -0.00000001 0.00000000 0.00000000 0.00188775
64 0.00000000 0.00000000 0.00012930 -0.00001673 0.00000000
65 0.00000001 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00012944 -0.00001674 0.00000000
67 0.00000000 0.00000000 -0.00003740 -0.00028912 0.00000000
68 -0.00000000 0.00000001 0.00000000 0.00000000 0.00188775
69 0.00000000 0.00000000 -0.00001674 -0.00012944 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00426635
56 57 58 59 60
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.21718145
2 0.00000000 0.00000000 0.00000000 0.00000000 0.09783732
3 0.00000000 0.00000000 0.00000000 0.00000000 0.06658571
4 0.00000000 0.00000000 0.00000000 0.00000000 0.08737101
5 0.00000000 0.00000000 -0.00035271 0.00013968 0.00000000
6 0.00000000 0.00000000 0.00013968 0.00035271 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00530823
8 0.00000000 0.00000000 0.00072757 -0.00028814 0.00000000
9 0.00000000 0.00000000 -0.00028814 -0.00072757 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -0.01136577
11 0.00000000 0.00000000 -0.00019851 0.00007862 0.00000000
12 0.00000000 0.00000000 0.00007862 0.00019851 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00311565
14 0.00000001 0.00000240 0.00000000 0.00000000 -0.00109406
15 -0.00000277 0.00000002 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00006706 -0.00002656 0.00000000
17 -0.00000001 -0.00000240 0.00000000 0.00000000 -0.00109406
18 0.00000000 0.00000000 -0.00002656 -0.00006706 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00772173
20 -0.00000001 -0.00000121 0.00000000 0.00000000 -0.00020556
21 0.00000140 -0.00000001 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.00003361 0.00001331 0.00000000
23 0.00000001 0.00000121 0.00000000 0.00000000 -0.00020556
24 0.00000000 0.00000000 0.00001331 0.00003361 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00311797
26 0.00000000 0.00000000 -0.00022238 0.00008807 0.00000000
27 0.00000000 0.00000000 0.00003939 0.00009945 0.00000000
28 -0.00000000 -0.00000002 0.00000000 0.00000000 0.00158924
29 0.00000000 0.00000000 -0.00009945 0.00003939 0.00000000
30 0.00000002 -0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.00009970 0.00003948 0.00000000
32 0.00000000 0.00000000 0.00008807 0.00022238 0.00000000
33 0.00000000 0.00000002 0.00000000 0.00000000 0.00158924
34 0.00000000 0.00000000 0.00003948 0.00009970 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00359942
36 0.00000000 0.00000000 0.00000000 0.00000000 0.02166506
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.01052929
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.00356354
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01119838
40 0.00000000 0.00000000 -0.00000426 0.00000169 0.00000000
41 0.00000000 0.00000000 0.00000169 0.00000426 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00431823
43 0.00000000 0.00000000 0.00001495 -0.00000592 0.00000000
44 0.00000000 0.00000000 -0.00000592 -0.00001495 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -0.01102146
46 0.00000000 0.00000000 -0.00000101 0.00000040 0.00000000
47 0.00000000 0.00000000 0.00000040 0.00000101 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00302759
49 -0.00607845 -1.05948287 -0.00000001 0.00000000 -0.61139496
50 1.22338544 -0.00701879 0.00000002 0.00000003 0.00000000
51 -0.00000001 -0.00000001 1.13745270 -0.45046919 0.00000000
52 0.00607845 1.05948287 0.00000001 -0.00000000 -0.61139496
53 0.00000003 0.00000000 -0.45046919 -1.13745270 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 1.22374356
55 0.00294803 0.51384598 0.00000000 -0.00000000 0.29632361
56 -0.59333823 0.00340409 -0.00000001 -0.00000001 0.00000000
57 0.00000000 0.00000000 -0.55166105 0.21847617 0.00000000
58 -0.00294803 -0.51384598 -0.00000000 0.00000000 0.29632361
59 -0.00000001 -0.00000000 0.21847617 0.55166105 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.59408917
61 0.00000000 0.00000000 -0.00000707 0.00000280 0.00000000
62 0.00000000 0.00000000 0.00000125 0.00000316 0.00000000
63 0.00000001 0.00000088 0.00000000 0.00000000 0.00170889
64 0.00000000 0.00000000 -0.00000316 0.00000125 0.00000000
65 -0.00000102 0.00000001 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -0.00000491 0.00000195 0.00000000
67 0.00000000 0.00000000 0.00000280 0.00000707 0.00000000
68 -0.00000001 -0.00000088 0.00000000 0.00000000 0.00170889
69 0.00000000 0.00000000 0.00000195 0.00000491 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00402279
61 62 63 64 65
1 14.75635652 0.31041248 0.00000000 0.00000000 -0.38034611
2 -3.34605966 -0.06195369 0.00000000 0.00000000 0.08144334
3 -9.74583268 -0.23092470 0.00000000 0.00000000 0.24701780
4 -3.90845541 -0.05888745 0.00000000 0.00000000 0.11663915
5 0.00000000 0.00000000 1.35933229 -0.20874456 0.00000000
6 0.00000000 0.00000000 0.20874456 1.35933229 0.00000000
7 -0.02134736 -0.94917996 0.00000000 0.00000000 0.87063288
8 0.00000000 0.00000000 -8.97713292 1.37856483 0.00000000
9 0.00000000 0.00000000 -1.37856483 -8.97713292 0.00000000
10 0.15336121 6.39155073 0.00000000 0.00000000 -5.63835641
11 0.00000000 0.00000000 0.66468279 -0.10207138 0.00000000
12 0.00000000 0.00000000 0.10207138 0.66468279 0.00000000
13 -0.00952925 -0.45403357 0.00000000 0.00000000 0.43707363
14 -0.58254229 -0.00983574 0.00000000 0.00000000 0.02087684
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000321 -0.00000049 0.00000000
17 -0.58254229 -0.00983574 0.00000000 0.00000000 0.02087684
18 0.00000000 0.00000000 0.00000049 0.00000321 0.00000000
19 -0.58341152 -0.01971924 0.00000000 0.00000000 0.00961464
20 0.96404835 0.02028719 0.00000000 0.00000000 -0.02944537
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.00000256 0.00000039 0.00000000
23 0.96404835 0.02028719 0.00000000 0.00000000 -0.02944537
24 0.00000000 0.00000000 -0.00000039 -0.00000256 0.00000000
25 0.96481383 0.02907680 0.00000000 0.00000000 -0.01928083
26 0.00000000 0.00000000 5.03290703 -0.77287355 0.00000000
27 0.00000000 0.00000000 0.34563956 2.25078445 0.00000000
28 -0.03924246 -1.61059076 0.00000000 0.00000000 1.40594272
29 0.00000000 0.00000000 2.25078445 -0.34563956 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 2.25078420 -0.34563952 0.00000000
32 0.00000000 0.00000000 0.77287355 5.03290703 0.00000000
33 -0.03924246 -1.61059076 0.00000000 0.00000000 1.40594272
34 0.00000000 0.00000000 0.34563952 2.25078420 0.00000000
35 -0.08760985 -3.59979921 0.00000000 0.00000000 3.14567201
36 0.33106288 -10.26260832 0.00000000 0.00000000 -10.47948535
37 -0.08719462 2.36767898 0.00000000 0.00000000 2.32220060
38 -0.18117970 6.69233099 0.00000000 0.00000000 6.98486541
39 -0.12265057 2.75166991 0.00000000 0.00000000 2.74439503
40 0.00000000 0.00000000 0.03223693 -0.00495043 0.00000000
41 0.00000000 0.00000000 0.00495043 0.03223693 0.00000000
42 -0.14052792 0.16035352 0.00000000 0.00000000 -0.45791046
43 0.00000000 0.00000000 -0.22374082 0.03435854 0.00000000
44 0.00000000 0.00000000 -0.03435854 -0.22374082 0.00000000
45 1.12255742 -1.12905917 0.00000000 0.00000000 3.13552402
46 0.00000000 0.00000000 0.01561942 -0.00239858 0.00000000
47 0.00000000 0.00000000 0.00239858 0.01561942 0.00000000
48 -0.05354678 0.07786797 0.00000000 0.00000000 -0.22265074
49 -0.01712746 0.39600006 0.00000000 0.00000000 0.42651363
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 -0.00015362 0.00002359 0.00000000
52 -0.01712746 0.39600006 0.00000000 0.00000000 0.42651363
53 0.00000000 0.00000000 -0.00002359 -0.00015362 0.00000000
54 -0.00082053 0.39549897 0.00000000 0.00000000 0.42847053
55 0.02218595 -0.65184348 0.00000000 0.00000000 -0.69201046
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00012074 -0.00001854 0.00000000
58 0.02218595 -0.65184348 0.00000000 0.00000000 -0.69201046
59 0.00000000 0.00000000 0.00001854 0.00012074 0.00000000
60 0.00796426 -0.65155718 0.00000000 0.00000000 -0.69357219
61 0.00000000 0.00000000 0.12663652 -0.01944682 0.00000000
62 0.00000000 0.00000000 0.00869688 0.05663358 0.00000000
63 -0.29389333 0.28652697 0.00000000 0.00000000 -0.79154086
64 0.00000000 0.00000000 0.05663358 -0.00869688 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.05661871 -0.00869460 0.00000000
67 0.00000000 0.00000000 0.01944682 0.12663652 0.00000000
68 -0.29389333 0.28652697 0.00000000 0.00000000 -0.79154086
69 0.00000000 0.00000000 0.00869460 0.05661871 0.00000000
70 -0.65460803 0.64071663 0.00000000 0.00000000 -1.76973771
66 67 68 69 70
1 0.00000000 0.00000000 -2.01485714 59.71939888 47.96263720
2 0.00000000 0.00000000 0.37384237 -28.96200332 -23.22720225
3 0.00000000 0.00000000 1.46438809 -35.15346396 -28.34724571
4 0.00000000 0.00000000 0.47068194 -16.83743433 -13.41491302
5 -0.03859533 -0.00486066 0.00000000 0.00000000 0.00000000
6 -0.00486066 0.03859533 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 -0.52094568 -0.05877592 0.10772900
8 0.24582222 0.03095862 0.00000000 0.00000000 0.00000000
9 0.03095862 -0.24582222 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 3.26941739 0.21845867 -0.40152515
11 -0.01912149 -0.00240814 0.00000000 0.00000000 0.00000000
12 -0.00240814 0.01912149 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 -0.26247221 -0.05002511 0.08665847
14 0.00000000 0.00000000 0.09735814 3.86916622 3.10984971
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00014714 0.00001853 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.09735814 3.86916622 3.10984971
18 0.00001853 -0.00014714 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.10372448 3.87529019 3.10050206
20 0.00000000 0.00000000 -0.15301111 3.60786436 2.90236752
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.00011807 -0.00001487 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.15301111 3.60786436 2.90236752
24 -0.00001487 0.00011807 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 -0.15851992 3.59746243 2.91813902
26 -0.13670443 -0.01721643 0.00000000 0.00000000 0.00000000
27 -0.00769942 0.06113608 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 -0.80971408 -0.04257392 0.07916459
29 -0.06113608 -0.00769942 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -0.06115109 -0.00770131 0.00000000 0.00000000 0.00000000
32 -0.01721643 0.13670443 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 -0.80971408 -0.04257392 0.07916459
34 -0.00770131 0.06115109 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 -1.81147164 -0.09699095 0.17970519
36 0.00000000 0.00000000 2.52095455 47.85365015 -59.80997057
37 0.00000000 0.00000000 -0.52166552 -23.21413670 28.97284686
38 0.00000000 0.00000000 -1.74021331 -28.14323310 35.31757997
39 0.00000000 0.00000000 -0.62949190 -13.51556253 16.75790682
40 1.34668089 0.16959972 0.00000000 0.00000000 0.00000000
41 0.16959972 -1.34668089 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 -1.27498745 0.08083941 0.09237595
43 -8.95814110 -1.12817984 0.00000000 0.00000000 0.00000000
44 -1.12817984 8.95814110 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 8.36671298 -0.30073667 -0.34446618
46 0.66244303 0.08342745 0.00000000 0.00000000 0.00000000
47 0.08342745 -0.66244303 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 -0.63323350 0.06770211 0.07370634
49 0.00000000 0.00000000 -0.10984888 3.09968877 -3.87714078
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000468 0.00000059 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.10984888 3.09968877 -3.87714078
53 0.00000059 -0.00000468 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 -0.11533586 3.10771034 -3.86934142
55 0.00000000 0.00000000 0.17505666 2.88966448 -3.61760826
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.00000367 -0.00000046 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 0.17505666 2.88966448 -3.61760826
59 -0.00000046 0.00000367 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.17984266 2.87607350 -3.63074196
61 5.02526611 0.63287727 0.00000000 0.00000000 0.00000000
62 0.28303132 -2.24736732 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 -2.09217432 0.05881131 0.06802668
64 2.24736732 0.28303132 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 2.24736785 0.28303139 0.00000000 0.00000000 0.00000000
67 0.63287727 -5.02526611 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 -2.09217432 0.05881131 0.06802668
69 0.28303139 -2.24736785 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 -4.67905978 0.13384202 0.15434602
---------------------------------------
UHF spin-up orbital energies
---------------------------------------
1
1 -0.49993989
2 0.04546432
3 0.24131858
4 0.35191128
5 0.47832879
6 0.47832879
7 0.48586279
8 0.54471057
9 0.54471057
10 0.55810410
11 1.12604615
12 1.22008305
13 1.82324097
14 1.82547726
15 1.82547726
16 1.89450100
17 1.89450100
18 1.91470871
19 2.06814920
20 2.06814920
21 2.06815063
22 2.06815063
23 2.06960905
24 2.11293697
25 2.11293697
26 2.11293697
27 2.11293697
28 2.11419960
29 3.05726636
30 3.13279303
31 4.42364165
32 4.43068711
33 4.43068711
34 4.47910015
35 4.47910015
36 4.50320315
37 6.05502064
38 6.05502064
39 6.05502150
40 6.05502150
41 6.05502193
42 6.05502193
43 6.05506615
44 6.08672663
45 6.08672663
46 6.08672748
47 6.08672748
48 6.08672780
49 6.08672780
50 6.08677106
51 8.12086393
52 8.12086393
53 8.12086472
54 8.12086472
55 8.12149175
56 8.16501060
57 8.16501060
58 8.16501117
59 8.16501117
60 8.16562336
61 9.63737835
62 9.68511176
63 9.70015624
64 9.70015624
65 9.71414618
66 9.74326244
67 9.74326244
68 9.75615225
69 22.39649713
70 22.45163943
---------------------------------------
UHF spin-down orbital energies
---------------------------------------
1
1 -0.49993989
2 0.04546432
3 0.24131858
4 0.35191128
5 0.47832879
6 0.47832879
7 0.48586279
8 0.54471057
9 0.54471057
10 0.55810410
11 1.12604615
12 1.22008305
13 1.82324097
14 1.82547726
15 1.82547726
16 1.89450100
17 1.89450100
18 1.91470871
19 2.06814920
20 2.06814920
21 2.06815063
22 2.06815063
23 2.06960905
24 2.11293697
25 2.11293697
26 2.11293697
27 2.11293697
28 2.11419960
29 3.05726636
30 3.13279303
31 4.42364165
32 4.43068711
33 4.43068711
34 4.47910015
35 4.47910015
36 4.50320315
37 6.05502064
38 6.05502064
39 6.05502150
40 6.05502150
41 6.05502193
42 6.05502193
43 6.05506615
44 6.08672663
45 6.08672663
46 6.08672748
47 6.08672748
48 6.08672780
49 6.08672780
50 6.08677106
51 8.12086393
52 8.12086393
53 8.12086472
54 8.12086472
55 8.12149175
56 8.16501060
57 8.16501060
58 8.16501117
59 8.16501117
60 8.16562336
61 9.63737835
62 9.68511176
63 9.70015624
64 9.70015624
65 9.71414618
66 9.74326244
67 9.74326244
68 9.75615225
69 22.39649713
70 22.45163943
Total CPU time for UHF = 1.481 seconds
AO to MO transformation... Please be patient
Total CPU time for AO to MO transformation = 15.815 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 | 0.546259 | 14.864462 |
| 2 | 0.546278 | 14.864984 |
| 3 | 0.784139 | 21.337521 |
| 4 | 0.784280 | 21.341348 |
| 5 | 0.856514 | 23.306924 |
| 6 | 0.857007 | 23.320349 |
| 7 | 1.029517 | 28.014586 |
| 8 | 1.035099 | 28.166480 |
| 9 | 1.039248 | 28.279377 |
| 10 | 1.039248 | 28.279377 |
| 11 | 1.043195 | 28.386779 |
| 12 | 1.043195 | 28.386779 |
| 13 | 1.045286 | 28.443675 |
| 14 | 1.045286 | 28.443675 |
| 15 | 1.045310 | 28.444340 |
| 16 | 1.045310 | 28.444340 |
| 17 | 1.072757 | 29.191192 |
| 18 | 1.074390 | 29.235649 |
| 19 | 1.702698 | 46.332785 |
| 20 | 1.702710 | 46.333096 |
-------------------------------------------------------------
*** 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| -13.604057 -13.604057| 0.011409 0.011409| 0.964499 0.964499| -13.593053 -13.593053|
| 2| 1.237147 1.237147| -0.732384 -0.732384| 0.983045 0.983045| 0.517181 0.517181|
| 3| 6.566613 6.566613| -0.195421 -0.195421| 0.993173 0.993173| 6.372526 6.372526|
| 4| 9.575994 9.575994| -0.910193 -0.910193| 0.971678 0.971678| 8.691578 8.691578|
| 5| 13.015989 13.015989| -0.282526 -0.282526| 0.990818 0.990818| 12.736057 12.736057|
| 6| 13.015989 13.015989| -0.282526 -0.282526| 0.990818 0.990818| 12.736057 12.736057|
| 7| 13.221000 13.221000| -0.353350 -0.353350| 0.987852 0.987852| 12.871943 12.871943|
| 8| 14.822330 14.822330| -0.564981 -0.564981| 0.978781 0.978781| 14.269337 14.269337|
| 9| 14.822330 14.822330| -0.564981 -0.564981| 0.978781 0.978781| 14.269337 14.269337|
| 10| 15.186786 15.186786| -0.576292 -0.576292| 0.968249 0.968249| 14.628792 14.628792|
| 11| 30.641277 30.641277| -0.550853 -0.550853| 0.627255 0.627255| 30.295751 30.295751|
| 12| 33.200151 33.200151| -0.316231 -0.316231| 0.406930 0.406930| 33.071467 33.071467|
| 13| 49.612914 49.612914| -0.843747 -0.843747| 0.941045 0.941045| 48.818910 48.818910|
| 14| 49.673766 49.673766| -0.845371 -0.845371| 0.948119 0.948119| 48.872254 48.872254|
| 15| 49.673766 49.673766| -0.845371 -0.845371| 0.948119 0.948119| 48.872254 48.872254|
| 16| 51.551998 51.551998| -1.041032 -1.041032| 0.932777 0.932777| 50.580948 50.580948|
| 17| 51.551998 51.551998| -1.041032 -1.041032| 0.932777 0.932777| 50.580948 50.580948|
| 18| 52.101878 52.101878| -0.949737 -0.949737| 0.558870 0.558870| 51.571099 51.571099|
| 19| 56.277206 56.277206| -0.555677 -0.555677| 0.955743 0.955743| 55.746121 55.746121|
| 20| 56.277206 56.277206| -0.555677 -0.555677| 0.955743 0.955743| 55.746121 55.746121|
| 21| 56.277245 56.277245| -0.555780 -0.555780| 0.953713 0.953713| 55.747190 55.747190|
| 22| 56.277245 56.277245| -0.555780 -0.555780| 0.953713 0.953713| 55.747190 55.747190|
| 23| 56.316931 56.316931| -0.553457 -0.553457| 0.918824 0.918824| 55.808401 55.808401|
| 24| 57.495943 57.495943| -0.655556 -0.655556| 0.950985 0.950985| 56.872520 56.872520|
| 25| 57.495943 57.495943| -0.655556 -0.655556| 0.950985 0.950985| 56.872520 56.872520|
| 26| 57.495943 57.495943| -0.665723 -0.665723| 0.942220 0.942220| 56.868686 56.868686|
| 27| 57.495943 57.495943| -0.665723 -0.665723| 0.942220 0.942220| 56.868686 56.868686|
| 28| 57.530301 57.530301| -0.667344 -0.667344| 0.939742 0.939742| 56.903170 56.903170|
| 29| 83.192455 83.192455| 0.445773 0.445773| 0.731088 0.731088| 83.518354 83.518354|
| 30| 85.247641 85.247641| 0.271338 0.271338| 0.719352 0.719352| 85.442828 85.442828|
| 31| 120.373421 120.373421| -0.705215 -0.705215| 0.792269 0.792269| 119.814701 119.814701|
| 32| 120.565137 120.565137| -0.800896 -0.800896| 0.589941 0.589941| 120.092656 120.092656|
| 33| 120.565137 120.565137| -0.800896 -0.800896| 0.589941 0.589941| 120.092656 120.092656|
| 34| 121.882523 121.882523| -0.766587 -0.766587| 0.848246 0.848246| 121.232269 121.232269|
| 35| 121.882523 121.882523| -0.766587 -0.766587| 0.848246 0.848246| 121.232269 121.232269|
| 36| 122.538399 122.538399| -0.829389 -0.829389| 0.665536 0.665536| 121.986411 121.986411|
| 37| 164.765504 164.765504| -0.761597 -0.761597| 0.959971 0.959971| 164.034393 164.034393|
| 38| 164.765504 164.765504| -0.761597 -0.761597| 0.959971 0.959971| 164.034393 164.034393|
| 39| 164.765527 164.765527| -0.761235 -0.761235| 0.959957 0.959957| 164.034775 164.034775|
| 40| 164.765527 164.765527| -0.761235 -0.761235| 0.959957 0.959957| 164.034775 164.034775|
| 41| 164.765539 164.765539| -0.760799 -0.760799| 0.959927 0.959927| 164.035228 164.035228|
| 42| 164.765539 164.765539| -0.760799 -0.760799| 0.959927 0.959927| 164.035228 164.035228|
| 43| 164.766742 164.766742| -0.760625 -0.760625| 0.959912 0.959912| 164.036609 164.036609|
| 44| 165.628268 165.628268| -0.799987 -0.799987| 0.957854 0.957854| 164.861997 164.861997|
| 45| 165.628268 165.628268| -0.799987 -0.799987| 0.957854 0.957854| 164.861997 164.861997|
| 46| 165.628291 165.628291| -0.799624 -0.799624| 0.957839 0.957839| 164.862381 164.862381|
| 47| 165.628291 165.628291| -0.799624 -0.799624| 0.957839 0.957839| 164.862381 164.862381|
| 48| 165.628300 165.628300| -0.799358 -0.799358| 0.957455 0.957455| 164.862951 164.862951|
| 49| 165.628300 165.628300| -0.799358 -0.799358| 0.957455 0.957455| 164.862951 164.862951|
| 50| 165.629477 165.629477| -0.798664 -0.798664| 0.956221 0.956221| 164.865778 164.865778|
| 51| 220.979963 220.979963| -2.227301 -2.227301| 0.868002 0.868002| 219.046662 219.046662|
| 52| 220.979963 220.979963| -2.227301 -2.227301| 0.868002 0.868002| 219.046662 219.046662|
| 53| 220.979985 220.979985| -2.212679 -2.212679| 0.849137 0.849137| 219.101118 219.101118|
| 54| 220.979985 220.979985| -2.212679 -2.212679| 0.849137 0.849137| 219.101118 219.101118|
| 55| 220.997047 220.997047| -2.221576 -2.221576| 0.860188 0.860188| 219.086074 219.086074|
| 56| 222.181255 222.181255| -2.321263 -2.321263| 0.861565 0.861565| 220.181337 220.181337|
| 57| 222.181255 222.181255| -2.321263 -2.321263| 0.861565 0.861565| 220.181337 220.181337|
| 58| 222.181271 222.181271| -2.312757 -2.312757| 0.860413 0.860413| 220.191345 220.191345|
| 59| 222.181271 222.181271| -2.312757 -2.312757| 0.860413 0.860413| 220.191345 220.191345|
| 60| 222.197929 222.197929| -2.308985 -2.308985| 0.856556 0.856556| 220.220154 220.220154|
| 61| 262.246422 262.246422| -2.743804 -2.743804| 0.891210 0.891210| 259.801117 259.801117|
| 62| 263.545315 263.545315| -2.226611 -2.226611| 0.909581 0.909581| 261.520032 261.520032|
| 63| 263.954696 263.954696| -1.703860 -1.703860| 0.928898 0.928898| 262.371984 262.371984|
| 64| 263.954696 263.954696| -1.703860 -1.703860| 0.928898 0.928898| 262.371984 262.371984|
| 65| 264.335382 264.335382| -2.350576 -2.350576| 0.905731 0.905731| 262.206391 262.206391|
| 66| 265.127675 265.127675| -1.771916 -1.771916| 0.925956 0.925956| 263.486959 263.486959|
| 67| 265.127675 265.127675| -1.771916 -1.771916| 0.925956 0.925956| 263.486959 263.486959|
| 68| 265.478425 265.478425| -1.858013 -1.858013| 0.922190 0.922190| 263.764983 263.764983|
| 69| 609.439729 609.439729| -0.955783 -0.955783| 0.966067 0.966067| 608.516378 608.516378|
| 70| 610.940227 610.940227| -1.011760 -1.011760| 0.961956 0.961956| 609.966959 609.966959|
--------------------------------------------------------------------------------------------------------------------------------
UG0W0 HOMO energy: -13.593053 eV
UG0W0 LUMO energy: 0.517181 eV
UG0W0 HOMO-LUMO gap : 14.110234 eV
--------------------------------------------------------------------------------------------------------------------------------
RPA@UG0W0 total energy : -1.028189 au
RPA@UG0W0 correlation energy: -0.028290 au
GM@UG0W0 total energy : -1.054027 au
GM@UG0W0 correlation energy: -0.054128 au
--------------------------------------------------------------------------------------------------------------------------------
-------------------------------------------------------------
BSE@UGW calculation: spin-conserved manifold
-------------------------------------------------------------
| State | Excitation energy (au) | Excitation energy (eV) |
-------------------------------------------------------------
| 1 | 0.379622 | 10.330040 |
| 2 | 0.379673 | 10.331438 |
| 3 | 0.478142 | 13.010913 |
| 4 | 0.478548 | 13.021961 |
| 5 | 0.587742 | 15.993279 |
| 6 | 0.595480 | 16.203848 |
| 7 | 0.606622 | 16.507024 |
| 8 | 0.606622 | 16.507024 |
| 9 | 0.610915 | 16.623856 |
| 10 | 0.610915 | 16.623856 |
| 11 | 0.714091 | 19.431407 |
| 12 | 0.714607 | 19.445439 |
| 13 | 0.889141 | 24.194764 |
| 14 | 0.889286 | 24.198705 |
| 15 | 0.892546 | 24.287412 |
| 16 | 0.892546 | 24.287412 |
| 17 | 0.892551 | 24.287548 |
| 18 | 0.892551 | 24.287548 |
| 19 | 1.246340 | 33.914634 |
| 20 | 1.246342 | 33.914702 |
-------------------------------------------------------------
---------------------------------------------------------------
Transition dipole moment (au)
---------------------------------------------------------------
# X Y Z dip. str. osc. str.
---------------------------------------------------------------
1 -0.000000 -0.000000 0.000000 0.000000 0.000000
2 -0.000000 0.000000 -0.281983 0.079514 0.020126
3 0.000000 -0.000000 -0.109556 0.012003 0.003826
4 -0.000000 0.000000 0.000000 0.000000 0.000000
5 0.000000 -0.000000 -1.258222 1.583123 0.620312
6 -0.000000 0.000000 0.000000 0.000000 0.000000
7 0.000000 0.000000 -0.000000 0.000000 0.000000
8 0.000000 -0.000000 -0.000000 0.000000 0.000000
9 -1.302929 -0.291675 0.000000 1.782698 0.726052
10 -0.291675 1.302929 -0.000000 1.782698 0.726052
11 0.000000 0.000000 0.371204 0.137793 0.065598
12 0.000000 -0.000000 0.000000 0.000000 0.000000
13 -0.000000 -0.000000 -0.000000 0.000000 0.000000
14 -0.000000 0.000000 -0.010470 0.000110 0.000065
15 0.011907 -0.005017 -0.000000 0.000167 0.000099
16 -0.005017 -0.011907 0.000000 0.000167 0.000099
17 0.000000 -0.000000 0.000000 0.000000 0.000000
18 -0.000000 -0.000000 -0.000000 0.000000 0.000000
19 0.000000 -0.000000 0.000000 0.000000 0.000000
20 -0.000000 -0.000000 0.009649 0.000093 0.000077
---------------------------------------------------------------
-------------------------------------------------------------
Excitation n. 1: 10.330040 eV f = 0.0000 <S**2> = 0.2712
-------------------------------------------------------------
1A -> 2A = 0.696985
1A -> 3A = -0.112379
1B -> 2B = -0.696985
1B -> 3B = 0.112379
-------------------------------------------------------------
Excitation n. 2: 10.331438 eV f = 0.0201 <S**2> = 0.2783
-------------------------------------------------------------
1A -> 2A = 0.697499
1A -> 3A = -0.106740
1B -> 2B = 0.697499
1B -> 3B = -0.106740
-------------------------------------------------------------
Excitation n. 3: 13.010913 eV f = 0.0038 <S**2> = 0.9462
-------------------------------------------------------------
1A -> 2A = 0.104081
1A -> 3A = 0.693281
1B -> 2B = 0.104081
1B -> 3B = 0.693281
-------------------------------------------------------------
Excitation n. 4: 13.021961 eV f = 0.0000 <S**2> = 0.9455
-------------------------------------------------------------
1A -> 2A = -0.110509
1A -> 3A = -0.692479
1B -> 2B = 0.110509
1B -> 3B = 0.692479
-------------------------------------------------------------
Excitation n. 5: 15.993279 eV f = 0.6203 <S**2> = 0.9387
-------------------------------------------------------------
1A -> 4A = -0.420242
1A -> 7A = -0.547604
1A -> 10A = 0.135906
1B -> 4B = 0.420242
1B -> 7B = 0.547604
1B -> 10B = -0.135906
-------------------------------------------------------------
Excitation n. 6: 16.203848 eV f = 0.0000 <S**2> = 0.9386
-------------------------------------------------------------
1A -> 4A = 0.430299
1A -> 7A = 0.540212
1A -> 10A = -0.137017
1B -> 4B = 0.430299
1B -> 7B = 0.540212
1B -> 10B = -0.137017
-------------------------------------------------------------
Excitation n. 7: 16.507024 eV f = 0.0000 <S**2> = 1.0002
-------------------------------------------------------------
1A -> 5A = -0.703889
1B -> 5B = 0.220488
1B -> 6B = -0.671235
-------------------------------------------------------------
Excitation n. 8: 16.507024 eV f = 0.0000 <S**2> = 1.0002
-------------------------------------------------------------
1A -> 6A = 0.703889
1B -> 5B = -0.671235
1B -> 6B = -0.220488
-------------------------------------------------------------
Excitation n. 9: 16.623856 eV f = 0.7261 <S**2> = 0.9999
-------------------------------------------------------------
1A -> 5A = -0.705275
1B -> 5B = -0.121289
1B -> 6B = 0.695994
-------------------------------------------------------------
Excitation n. 10: 16.623856 eV f = 0.7261 <S**2> = 0.9999
-------------------------------------------------------------
1A -> 6A = 0.705275
1B -> 5B = 0.695994
1B -> 6B = 0.121289
-------------------------------------------------------------
Excitation n. 11: 19.431407 eV f = 0.0656 <S**2> = 0.8539
-------------------------------------------------------------
1A -> 4A = -0.564343
1A -> 7A = 0.410715
1B -> 4B = 0.564343
1B -> 7B = -0.410715
-------------------------------------------------------------
Excitation n. 12: 19.445439 eV f = 0.0000 <S**2> = 0.8584
-------------------------------------------------------------
1A -> 4A = -0.556741
1A -> 7A = 0.419727
1A -> 10A = -0.104432
1B -> 4B = -0.556741
1B -> 7B = 0.419727
1B -> 10B = -0.104432
-------------------------------------------------------------
Excitation n. 13: 24.194764 eV f = 0.0000 <S**2> = 0.9999
-------------------------------------------------------------
1A -> 7A = 0.170612
1A -> 10A = 0.683835
1B -> 7B = 0.170612
1B -> 10B = 0.683835
-------------------------------------------------------------
Excitation n. 14: 24.198705 eV f = 0.0001 <S**2> = 0.9962
-------------------------------------------------------------
1A -> 7A = -0.166650
1A -> 10A = -0.684768
1B -> 7B = 0.166650
1B -> 10B = 0.684768
-------------------------------------------------------------
Excitation n. 15: 24.287412 eV f = 0.0001 <S**2> = 1.0001
-------------------------------------------------------------
1A -> 8A = 0.184049
1A -> 9A = -0.682582
1B -> 8B = -0.694906
1B -> 9B = 0.129989
-------------------------------------------------------------
Excitation n. 16: 24.287412 eV f = 0.0001 <S**2> = 1.0001
-------------------------------------------------------------
1A -> 8A = 0.682582
1A -> 9A = 0.184049
1B -> 8B = 0.129989
1B -> 9B = 0.694906
-------------------------------------------------------------
Excitation n. 17: 24.287548 eV f = 0.0000 <S**2> = 0.9998
-------------------------------------------------------------
1A -> 8A = 0.169987
1A -> 9A = -0.686262
1B -> 8B = 0.697473
1B -> 9B = -0.115682
-------------------------------------------------------------
Excitation n. 18: 24.287548 eV f = 0.0000 <S**2> = 0.9998
-------------------------------------------------------------
1A -> 8A = 0.686262
1A -> 9A = 0.169987
1B -> 8B = -0.115682
1B -> 9B = -0.697473
-------------------------------------------------------------
Excitation n. 19: 33.914634 eV f = 0.0000 <S**2> = 0.9998
-------------------------------------------------------------
1A -> 11A = -0.704504
1B -> 11B = -0.704505
-------------------------------------------------------------
Excitation n. 20: 33.914702 eV f = 0.0001 <S**2> = 1.0002
-------------------------------------------------------------
1A -> 11A = 0.704513
1B -> 11B = -0.704513
Thomas-Reiche-Kuhn sum rule = 2.162307
-------------------------------------------------------------------------------
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 = -0.9998987775
-------------------------------------------------------------------------------
Total CPU time for G0W0 = 0.512 seconds
Total CPU time for QuAcK = 18.539 seconds
Reference in New Issue Copy Permalink