PTEROSOR/sfBSE
10
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
a37955653c
sfBSE/output/H2/SF-BSE/h2_sf_bse_40.out

2681 lines
195 KiB
Plaintext
Raw Normal View History

H2 output
2021-01-19 14:09:55 +01:00
210 significant shell pairs computed in 0.000108 seconds
0
Computed Electron repulsion integrals Integrals in parallel in 3.333914 seconds
******************************************************************************************
* QuAcK QuAcK QuAcK *
* __ __ __ __ __ __ __ __ __ *
* <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ *
* ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / *
*|--------------------------------------------------------------------------------------|*
******************************************************************************************
----------------------
Number of atoms 2
----------------------
----------------------
Number of spin-up electron 2
Number of spin-down electron 0
Total number of electron 2
----------------------
----------------------
Number of core electron 0
Number of Rydberg electron 0
----------------------
------------------
Molecular geometry
------------------
Atom n. 1
Z = 1.0000000000
Atom coordinates: 0.0000000000 0.0000000000 0.0000000000
Atom n. 2
Z = 1.0000000000
Atom coordinates: 0.0000000000 0.0000000000 4.6298290074
------------------
Nuclear repulsion energy = 0.2159906982
------------------
Gaussian basis set
------------------
Atom n. 1
number of shells 10
------------------
s-type shell with K = 6
Exponents Contraction
82.6400000000 0.0020060000
12.4100000000 0.0153430000
2.8240000000 0.0755790000
0.7977000000 0.2568750000
0.2581000000 0.4973680000
0.0898900000 0.2961330000
s-type shell with K = 1
Exponents Contraction
0.7977000000 1.0000000000
s-type shell with K = 1
Exponents Contraction
0.2581000000 1.0000000000
s-type shell with K = 1
Exponents Contraction
0.0898900000 1.0000000000
p-type shell with K = 1
Exponents Contraction
2.2920000000 1.0000000000
p-type shell with K = 1
Exponents Contraction
0.8380000000 1.0000000000
p-type shell with K = 1
Exponents Contraction
0.2920000000 1.0000000000
d-type shell with K = 1
Exponents Contraction
2.0620000000 1.0000000000
d-type shell with K = 1
Exponents Contraction
0.6620000000 1.0000000000
f-type shell with K = 1
Exponents Contraction
1.3970000000 1.0000000000
------------------
Atom n. 2
number of shells 10
------------------
s-type shell with K = 6
Exponents Contraction
82.6400000000 0.0020060000
12.4100000000 0.0153430000
2.8240000000 0.0755790000
0.7977000000 0.2568750000
0.2581000000 0.4973680000
0.0898900000 0.2961330000
s-type shell with K = 1
Exponents Contraction
0.7977000000 1.0000000000
s-type shell with K = 1
Exponents Contraction
0.2581000000 1.0000000000
s-type shell with K = 1
Exponents Contraction
0.0898900000 1.0000000000
p-type shell with K = 1
Exponents Contraction
2.2920000000 1.0000000000
p-type shell with K = 1
Exponents Contraction
0.8380000000 1.0000000000
p-type shell with K = 1
Exponents Contraction
0.2920000000 1.0000000000
d-type shell with K = 1
Exponents Contraction
2.0620000000 1.0000000000
d-type shell with K = 1
Exponents Contraction
0.6620000000 1.0000000000
f-type shell with K = 1
Exponents Contraction
1.3970000000 1.0000000000
------------------
Number of shells 20
------------------
------------------
Number of basis functions 70
------------------
Scaling integrals by 1.0000000000000000
Total CPU time for reading integrals = 1.185 seconds
Lowdin orthogonalization
************************************************
* Unrestricted Hartree-Fock calculation *
************************************************
----------------------------------------------------------
| # | E(UHF) | Ex(UHF) | Conv |
----------------------------------------------------------
| 1 | -0.9846266684 | -0.6356643144 | 1.000000 |
| 2 | -0.9954113235 | -0.6333697844 | 0.021965 |
| 3 | -0.9967030881 | -0.6321319042 | 0.008472 |
| 4 | -0.9968720519 | -0.6316356515 | 0.003242 |
| 5 | -0.9968950689 | -0.6314437128 | 0.001237 |
| 6 | -0.9968982689 | -0.6313695621 | 0.000472 |
| 7 | -0.9968987195 | -0.6313408508 | 0.000181 |
| 8 | -0.9968987836 | -0.6313297175 | 0.000069 |
| 9 | -0.9968987928 | -0.6313253975 | 0.000027 |
| 10 | -0.9968987941 | -0.6313237209 | 0.000010 |
| 11 | -0.9968987943 | -0.6313230702 | 0.000004 |
| 12 | -0.9968987943 | -0.6313228176 | 0.000002 |
| 13 | -0.9968987943 | -0.6313227196 | 0.000001 |
| 14 | -0.9968987943 | -0.6313226816 | 0.000000 |
| 15 | -0.9968987943 | -0.6313226668 | 0.000000 |
----------------------------------------------------------
-------------------------------------------------
Summary
-------------------------------------------------
One-electron energy: -1.4246514807 au
One-electron a energy: -1.4246514807 au
One-electron b energy: 0.0000000000 au
Kinetic energy: 1.0175184328 au
Kinetic a energy: 1.0175184328 au
Kinetic b energy: 0.0000000000 au
Potential energy: -2.4421699135 au
Potential a energy: -2.4421699135 au
Potential b energy: 0.0000000000 au
-------------------------------------------------
Two-electron energy: 0.2117619881 au
Two-electron aa energy: 0.2117619881 au
Two-electron ab energy: 0.0000000000 au
Two-electron bb energy: 0.0000000000 au
Hartree energy: 0.8430846549 au
Hartree aa energy: 0.8430846549 au
Hartree ab energy: 0.0000000000 au
Hartree bb energy: 0.0000000000 au
Exchange energy: -0.6313226668 au
Exchange a energy: -0.6313226668 au
Exchange b energy: 0.0000000000 au
-------------------------------------------------
Electronic energy: -1.2128894926 au
Nuclear repulsion: 0.2159906982 au
UHF energy: -0.9968987943 au
-------------------------------------------------
UHF HOMO a energy: -12.825453 eV
UHF LUMO a energy: 6.651194 eV
UHF HOMOa-LUMOa gap: 19.476647 eV
-------------------------------------------------
UHF HOMO b energy: 0.000000 eV
UHF LUMO b energy: 0.599614 eV
UHF HOMOb-LUMOb gap : 0.000000 eV
-------------------------------------------------
S (exact) : 3.000000
S : 3.000000
<S**2> (exact) : 2.000000
<S**2> : 2.000000
-------------------------------------------------
Dipole moment (Debye)
X Y Z Tot.
0.000000 -0.000000 -0.000001 0.000001
-------------------------------------------------
-----------------------------------------
UHF spin-up orbital coefficients
-----------------------------------------
1 2 3 4 5
1 0.69307948 -0.74336729 -0.04855650 -0.07606194 0.12968410
2 -0.00461383 0.00272802 -0.18159669 -0.18283004 0.01477766
3 -0.00427284 0.00123055 1.89115897 1.91430800 -0.02260014
4 -0.02107074 -0.01899219 -1.28900302 -1.78093777 -0.03255437
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7 -0.00007959 -0.00016699 0.04399800 0.00338878 -0.39038801
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10 0.00183794 0.00253677 -0.16384186 -0.00259158 1.40187598
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00363012 0.00370655 0.12069661 0.00061017 -0.88062055
14 0.00052423 -0.00050092 -0.01644599 -0.01755725 0.00064511
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00052423 -0.00050092 -0.01644599 -0.01755725 0.00064511
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00036977 -0.00052179 -0.01883364 -0.01466872 -0.00033986
20 -0.00031117 -0.00091874 -0.20460165 -0.19406998 0.00377254
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
23 -0.00031117 -0.00091874 -0.20460165 -0.19406998 0.00377254
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00117821 0.00006257 -0.18896032 -0.20929287 -0.00300114
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
28 -0.00023984 -0.00027723 0.02859082 0.00178294 -0.25383560
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
33 -0.00023984 -0.00027723 0.02859082 0.00178294 -0.25383560
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
35 -0.00036095 -0.00053146 0.06441015 0.00330558 -0.56649050
36 0.69307894 0.74336791 -0.04855638 0.07606204 0.12968401
37 -0.00461381 -0.00272801 -0.18159618 0.18283057 0.01477778
38 -0.00427290 -0.00123052 1.89115356 -1.91431350 -0.02260122
39 -0.02107077 0.01899206 -1.28899796 1.78094148 -0.03255349
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00007963 -0.00016692 -0.04399796 0.00338874 0.39038792
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
45 -0.00183805 0.00253652 0.16384176 -0.00259145 -1.40187564
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
48 -0.00362997 0.00370677 -0.12069655 0.00061015 0.88062030
49 0.00052423 0.00050092 -0.01644594 0.01755730 0.00064512
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00052423 0.00050092 -0.01644594 0.01755730 0.00064512
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00036977 0.00052179 -0.01883360 0.01466877 -0.00033985
55 -0.00031116 0.00091874 -0.20460110 0.19407058 0.00377265
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
58 -0.00031116 0.00091874 -0.20460110 0.19407058 0.00377265
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00117822 -0.00006258 -0.18895973 0.20929343 -0.00300102
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
63 0.00023986 -0.00027719 -0.02859079 0.00178291 0.25383553
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
68 0.00023986 -0.00027719 -0.02859079 0.00178291 0.25383553
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
70 0.00036099 -0.00053136 -0.06441010 0.00330552 0.56649036
6 7 8 9 10
1 0.00000000 0.00000000 0.00000000 0.00000000 0.19515898
2 0.00000000 0.00000000 0.00000000 0.00000000 0.09821881
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.79005241
4 0.00000000 0.00000000 0.00000000 0.00000000 0.75615193
5 -0.49186888 0.15721353 -0.40295884 -0.31066404 0.00000000
6 0.15721353 0.49186888 0.31066404 -0.40295884 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.58441096
8 1.77695816 -0.56796005 1.45305779 1.12024545 0.00000000
9 -0.56796005 -1.77695816 -1.12024545 1.45305779 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -2.11330411
11 -0.98299330 0.31418912 -0.85641431 -0.66025882 0.00000000
12 0.31418912 0.98299330 0.66025882 -0.85641431 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 1.35742635
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00350676
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00239664 -0.00076603 -0.00223589 -0.00172377 0.00000000
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00350676
18 -0.00076603 -0.00239664 0.00172377 -0.00223589 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.01115507
20 0.00000000 0.00000000 0.00000000 0.00000000 0.09339500
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.01225788 0.00391792 0.01141079 0.00879723 0.00000000
23 0.00000000 0.00000000 0.00000000 0.00000000 0.09339500
24 0.00391792 0.01225788 -0.00879723 0.01141079 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.03806824
26 -0.71636286 0.22896740 -0.58549410 -0.45139093 0.00000000
27 0.10239733 0.32036721 0.20186816 -0.26184092 0.00000000
28 0.00000000 0.00000000 0.00000000 0.00000000 0.37604480
29 -0.32036721 0.10239733 -0.26184092 -0.20186816 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -0.32149672 0.10275835 -0.26081574 -0.20107779 0.00000000
32 0.22896740 0.71636286 0.45139093 -0.58549410 0.00000000
33 0.00000000 0.00000000 0.00000000 0.00000000 0.37604480
34 0.10275835 0.32149672 0.20107779 -0.26081574 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.84028932
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.19515882
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.09821869
38 0.00000000 0.00000000 0.00000000 0.00000000 0.79005180
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.75615182
40 -0.49186850 0.15721341 0.40295919 0.31066431 0.00000000
41 0.15721341 0.49186850 -0.31066431 0.40295919 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.58441106
43 1.77695681 -0.56795962 -1.45305906 -1.12024643 0.00000000
44 -0.56795962 -1.77695681 1.12024643 -1.45305906 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -2.11330447
46 -0.98299247 0.31418886 0.85641498 0.66025935 0.00000000
47 0.31418886 0.98299247 -0.66025935 0.85641498 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 1.35742653
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00350676
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.00239665 0.00076603 -0.00223588 -0.00172377 0.00000000
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00350676
53 0.00076603 0.00239665 0.00172377 -0.00223588 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.01115506
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.09339491
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.01225789 -0.00391793 0.01141078 0.00879722 0.00000000
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.09339491
59 -0.00391793 -0.01225789 -0.00879722 0.01141078 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.03806819
61 -0.71636231 0.22896722 0.58549461 0.45139132 0.00000000
62 0.10239725 0.32036696 -0.20186834 0.26184115 0.00000000
63 0.00000000 0.00000000 0.00000000 0.00000000 0.37604487
64 -0.32036696 0.10239725 0.26184115 0.20186834 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.32149648 0.10275828 0.26081597 0.20107796 0.00000000
67 0.22896722 0.71636231 -0.45139132 0.58549461 0.00000000
68 0.00000000 0.00000000 0.00000000 0.00000000 0.37604487
69 0.10275828 0.32149648 -0.20107796 0.26081597 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.84028946
11 12 13 14 15
1 1.98765378 2.05079745 0.00000000 0.00000000 -0.05880024
2 0.89192888 0.98432019 0.00000000 0.00000000 -0.10989256
3 -4.59418332 -4.94918849 0.00000000 0.00000000 0.24754356
4 0.40133102 0.65383494 0.00000000 0.00000000 -0.35068020
5 0.00000000 0.00000000 -0.89041225 -1.22165871 0.00000000
6 0.00000000 0.00000000 -1.22165871 0.89041225 0.00000000
7 0.12701293 -0.14360232 0.00000000 0.00000000 -1.57086171
8 0.00000000 0.00000000 3.37970680 4.63700749 0.00000000
9 0.00000000 0.00000000 4.63700749 -3.37970680 0.00000000
10 -0.45685047 0.52374394 0.00000000 0.00000000 5.96867368
11 0.00000000 0.00000000 -0.61442737 -0.84300339 0.00000000
12 0.00000000 0.00000000 -0.84300339 0.61442737 0.00000000
13 0.15991971 -0.16769236 0.00000000 0.00000000 -1.37761089
14 0.03616227 0.04705196 0.00000000 0.00000000 0.01854053
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.01377148 0.01889467 0.00000000
17 0.03616227 0.04705196 0.00000000 0.00000000 0.01854053
18 0.00000000 0.00000000 0.01889467 -0.01377148 0.00000000
19 0.04992225 0.03222210 0.00000000 0.00000000 -0.03091356
20 0.68171329 0.68039102 0.00000000 0.00000000 -0.10917600
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.09053672 -0.12421772 0.00000000
23 0.68171329 0.68039102 0.00000000 0.00000000 -0.10917600
24 0.00000000 0.00000000 -0.12421772 0.09053672 0.00000000
25 0.59777476 0.78021198 0.00000000 0.00000000 0.27764429
26 0.00000000 0.00000000 -1.31661348 -1.80641309 0.00000000
27 0.00000000 0.00000000 -0.80785249 0.58880745 0.00000000
28 0.08525172 -0.09492189 0.00000000 0.00000000 -1.02943813
29 0.00000000 0.00000000 -0.58880745 -0.80785249 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.59097088 -0.81082075 0.00000000
32 0.00000000 0.00000000 -1.80641309 1.31661348 0.00000000
33 0.08525172 -0.09492189 0.00000000 0.00000000 -1.02943813
34 0.00000000 0.00000000 -0.81082075 0.59097088 0.00000000
35 0.18591513 -0.20790800 0.00000000 0.00000000 -2.30238061
36 1.98765268 -2.05079852 0.00000000 0.00000000 0.05880020
37 0.89192835 -0.98432067 0.00000000 0.00000000 0.10989256
38 -4.59418072 4.94919101 0.00000000 0.00000000 -0.24754334
39 0.40133072 -0.65383515 0.00000000 0.00000000 0.35068019
40 0.00000000 0.00000000 -0.89041114 -1.22165720 0.00000000
41 0.00000000 0.00000000 -1.22165720 0.89041114 0.00000000
42 -0.12701306 -0.14360222 0.00000000 0.00000000 -1.57086050
43 0.00000000 0.00000000 3.37970260 4.63700173 0.00000000
44 0.00000000 0.00000000 4.63700173 -3.37970260 0.00000000
45 0.45685093 0.52374357 0.00000000 0.00000000 5.96866904
46 0.00000000 0.00000000 -0.61442652 -0.84300223 0.00000000
47 0.00000000 0.00000000 -0.84300223 0.61442652 0.00000000
48 -0.15991994 -0.16769223 0.00000000 0.00000000 -1.37761003
49 0.03616225 -0.04705198 0.00000000 0.00000000 -0.01854053
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 -0.01377149 -0.01889469 0.00000000
52 0.03616225 -0.04705198 0.00000000 0.00000000 -0.01854053
53 0.00000000 0.00000000 -0.01889469 0.01377149 0.00000000
54 0.04992223 -0.03222213 0.00000000 0.00000000 0.03091354
55 0.68171293 -0.68039141 0.00000000 0.00000000 0.10917591
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.09053677 0.12421779 0.00000000
58 0.68171293 -0.68039141 0.00000000 0.00000000 0.10917591
59 0.00000000 0.00000000 0.12421779 -0.09053677 0.00000000
60 0.59777436 -0.78021230 0.00000000 0.00000000 -0.27764431
61 0.00000000 0.00000000 -1.31661185 -1.80641085 0.00000000
62 0.00000000 0.00000000 -0.80785149 0.58880672 0.00000000
63 -0.08525180 -0.09492182 0.00000000 0.00000000 -1.02943733
64 0.00000000 0.00000000 -0.58880672 -0.80785149 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -0.59097015 -0.81081975 0.00000000
67 0.00000000 0.00000000 -1.80641085 1.31661185 0.00000000
68 -0.08525180 -0.09492182 0.00000000 0.00000000 -1.02943733
69 0.00000000 0.00000000 -0.81081975 0.59097015 0.00000000
70 -0.18591532 -0.20790784 0.00000000 0.00000000 -2.30237882
16 17 18 19 20
1 0.00000000 0.00000000 -0.17899672 0.13887701 0.00000000
2 0.00000000 0.00000000 -0.10081294 0.13423356 0.00000000
3 0.00000000 0.00000000 0.59705650 -0.33239554 0.00000000
4 0.00000000 0.00000000 -0.07019175 0.08395973 0.00000000
5 1.08519816 -1.15592287 0.00000000 0.00000000 0.21920517
6 1.15592287 1.08519816 0.00000000 0.00000000 0.27460962
7 0.00000000 0.00000000 -1.32110217 -0.81755686 0.00000000
8 -4.12040955 4.38894555 0.00000000 0.00000000 -0.84096378
9 -4.38894555 -4.12040955 0.00000000 0.00000000 -1.05351873
10 0.00000000 0.00000000 5.05807613 3.09252425 0.00000000
11 0.81574406 -0.86890787 0.00000000 0.00000000 0.18204447
12 0.86890787 0.81574406 0.00000000 0.00000000 0.22805650
13 0.00000000 0.00000000 -0.90443568 -0.60827998 0.00000000
14 0.00000000 0.00000000 -0.02604649 0.05032618 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.01726373 -0.01838885 0.00000000 0.00000000 0.06472999
17 0.00000000 0.00000000 -0.02604649 0.05032618 0.00000000
18 0.01838885 0.01726373 0.00000000 0.00000000 0.08109059
19 0.00000000 0.00000000 0.03632445 -0.10080437 0.00000000
20 0.00000000 0.00000000 0.05920741 -0.34006506 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.11817228 0.12587382 0.00000000 0.00000000 -0.46431157
23 0.00000000 0.00000000 0.05920741 -0.34006506 0.00000000
24 -0.12587382 -0.11817228 0.00000000 0.00000000 -0.58166706
25 0.00000000 0.00000000 -0.40321028 0.69108452 0.00000000
26 1.60311314 -1.70759150 0.00000000 0.00000000 0.32220238
27 0.76365813 0.71693399 0.00000000 0.00000000 0.18051309
28 0.00000000 0.00000000 -0.87101194 -0.54715930 0.00000000
29 0.71693399 -0.76365813 0.00000000 0.00000000 0.14409328
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.71463750 -0.76121197 0.00000000 0.00000000 0.14273402
32 1.70759150 1.60311314 0.00000000 0.00000000 0.40363955
33 0.00000000 0.00000000 -0.87101194 -0.54715930 0.00000000
34 0.76121197 0.71463750 0.00000000 0.00000000 0.17881027
35 0.00000000 0.00000000 -1.95185067 -1.21201949 0.00000000
36 0.00000000 0.00000000 -0.17899676 0.13887706 0.00000000
37 0.00000000 0.00000000 -0.10081306 0.13423356 0.00000000
38 0.00000000 0.00000000 0.59705663 -0.33239567 0.00000000
39 0.00000000 0.00000000 -0.07019191 0.08395959 0.00000000
40 -1.08519933 1.15592412 0.00000000 0.00000000 0.21920552
41 -1.15592412 -1.08519933 0.00000000 0.00000000 0.27461007
42 0.00000000 0.00000000 1.32110310 0.81755759 0.00000000
43 4.12041398 -4.38895028 0.00000000 0.00000000 -0.84096513
44 4.38895028 4.12041398 0.00000000 0.00000000 -1.05352041
45 0.00000000 0.00000000 -5.05807966 -3.09252703 0.00000000
46 -0.81574486 0.86890871 0.00000000 0.00000000 0.18204476
47 -0.86890871 -0.81574486 0.00000000 0.00000000 0.22805687
48 0.00000000 0.00000000 0.90443642 0.60828066 0.00000000
49 0.00000000 0.00000000 -0.02604647 0.05032619 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.01726370 -0.01838881 0.00000000 0.00000000 -0.06472994
52 0.00000000 0.00000000 -0.02604647 0.05032619 0.00000000
53 0.01838881 0.01726370 0.00000000 0.00000000 -0.08109054
54 0.00000000 0.00000000 0.03632442 -0.10080437 0.00000000
55 0.00000000 0.00000000 0.05920730 -0.34006502 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.11817209 0.12587362 0.00000000 0.00000000 0.46431121
58 0.00000000 0.00000000 0.05920730 -0.34006502 0.00000000
59 -0.12587362 -0.11817209 0.00000000 0.00000000 0.58166661
60 0.00000000 0.00000000 -0.40320994 0.69108460 0.00000000
61 -1.60311488 1.70759335 0.00000000 0.00000000 0.32220290
62 -0.76365896 -0.71693477 0.00000000 0.00000000 0.18051339
63 0.00000000 0.00000000 0.87101255 0.54715978 0.00000000
64 -0.71693477 0.76365896 0.00000000 0.00000000 0.14409352
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.71463828 0.76121280 0.00000000 0.00000000 0.14273424
67 -1.70759335 -1.60311488 0.00000000 0.00000000 0.40364020
68 0.00000000 0.00000000 0.87101255 0.54715978 0.00000000
69 -0.76121280 -0.71463828 0.00000000 0.00000000 0.17881055
70 0.00000000 0.00000000 1.95185204 1.21202055 0.00000000
21 22 23 24 25
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5 0.27460962 0.00000000 0.00000000 0.00000000 0.00000000
6 -0.21920517 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8 -1.05351873 0.00000000 0.00000000 0.00000000 0.00000000
9 0.84096378 0.00000000 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11 0.22805650 0.00000000 0.00000000 0.00000000 0.00000000
12 -0.18204447 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
14 0.00000000 -0.09027626 -0.00011518 -0.08980264 0.00030405
15 0.00000000 -0.00013300 0.10424205 -0.00035108 -0.10369516
16 0.08109059 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00000000 0.09027626 0.00011518 0.08980264 -0.00030405
18 -0.06472999 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
20 0.00000000 0.66046189 0.00084267 0.66081475 -0.00223734
21 0.00000000 0.00097303 -0.76263570 0.00258346 0.76304314
22 -0.58166706 0.00000000 0.00000000 0.00000000 0.00000000
23 0.00000000 -0.66046189 -0.00084267 -0.66081475 0.00223734
24 0.46431157 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26 0.40363955 0.00000000 0.00000000 0.00000000 0.00000000
27 -0.14409328 0.00000000 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00036738 0.00000047 -0.00005149 0.00000017
29 0.18051309 0.00000000 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000054 -0.00042421 -0.00000020 -0.00005946
31 0.17881027 0.00000000 0.00000000 0.00000000 0.00000000
32 -0.32220238 0.00000000 0.00000000 0.00000000 0.00000000
33 0.00000000 -0.00036738 -0.00000047 0.00005149 -0.00000017
34 -0.14273402 0.00000000 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
40 0.27461007 0.00000000 0.00000000 0.00000000 0.00000000
41 -0.21920552 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
43 -1.05352041 0.00000000 0.00000000 0.00000000 0.00000000
44 0.84096513 0.00000000 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
46 0.22805687 0.00000000 0.00000000 0.00000000 0.00000000
47 -0.18204476 0.00000000 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
49 0.00000000 -0.09027535 -0.00011518 0.08980357 -0.00030405
50 0.00000000 -0.00013300 0.10424100 0.00035109 0.10369623
51 -0.08109054 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00000000 0.09027535 0.00011518 -0.08980357 0.00030405
53 0.06472994 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
55 0.00000000 0.66045516 0.00084266 -0.66082148 0.00223736
56 0.00000000 0.00097302 -0.76262793 -0.00258349 -0.76305091
57 0.58166661 0.00000000 0.00000000 0.00000000 0.00000000
58 0.00000000 -0.66045516 -0.00084266 0.66082148 -0.00223736
59 -0.46431121 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
61 0.40364020 0.00000000 0.00000000 0.00000000 0.00000000
62 -0.14409352 0.00000000 0.00000000 0.00000000 0.00000000
63 0.00000000 -0.00036738 -0.00000047 -0.00005148 0.00000017
64 0.18051339 0.00000000 0.00000000 0.00000000 0.00000000
65 0.00000000 -0.00000054 0.00042422 -0.00000020 -0.00005944
66 0.17881055 0.00000000 0.00000000 0.00000000 0.00000000
67 -0.32220290 0.00000000 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00036738 0.00000047 0.00005148 -0.00000017
69 -0.14273424 0.00000000 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26 27 28 29 30
1 0.00000000 0.00000000 0.05340558 1.20054332 -1.25097316
2 0.00000000 0.00000000 -0.22395140 -0.16808526 0.00405643
3 0.00000000 0.00000000 -0.13239330 -4.16079986 4.58845507
4 0.00000000 0.00000000 0.30715987 0.30236117 -0.46607322
5 0.38813942 -0.10019254 0.00000000 0.00000000 0.00000000
6 0.10019254 0.38813942 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.95029332 0.02116241 0.14975893
8 -1.49656251 0.38631584 0.00000000 0.00000000 0.00000000
9 -0.38631584 -1.49656251 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 -3.66385054 -0.02037903 -0.53702658
11 0.35221896 -0.09092020 0.00000000 0.00000000 0.00000000
12 0.09092020 0.35221896 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 1.14601893 0.00544672 0.19354385
14 0.00000000 0.00000000 0.05293083 0.09332828 -0.07905882
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.09440996 0.02437056 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.05293083 0.09332828 -0.07905882
18 -0.02437056 -0.09440996 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.06687975 0.07914241 -0.10101688
20 0.00000000 0.00000000 -0.27078948 1.27622351 -1.47538431
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.72279758 -0.18657968 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.27078948 1.27622351 -1.47538431
24 0.18657968 0.72279758 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.83164736 1.40008765 -1.19888809
26 0.56886888 -0.14684522 0.00000000 0.00000000 0.00000000
27 0.06567118 0.25440590 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 0.62736235 0.01836188 0.10565546
29 0.25440590 -0.06567118 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.25023716 -0.06459508 0.00000000 0.00000000 0.00000000
32 0.14684522 0.56886888 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 0.62736235 0.01836188 0.10565546
34 0.06459508 0.25023716 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 1.36316378 0.02881375 0.20500405
36 0.00000000 0.00000000 -0.05340555 1.20043545 1.25107678
37 0.00000000 0.00000000 0.22395137 -0.16808495 -0.00407096
38 0.00000000 0.00000000 0.13239315 -4.16040402 -4.58881399
39 0.00000000 0.00000000 -0.30715987 0.30232096 0.46609928
40 -0.38813937 0.10019253 0.00000000 0.00000000 0.00000000
41 -0.10019253 -0.38813937 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.95029345 -0.02117533 0.14975709
43 1.49656232 -0.38631579 0.00000000 0.00000000 0.00000000
44 0.38631579 1.49656232 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 -3.66385107 0.02042546 -0.53702473
46 -0.35221888 0.09092018 0.00000000 0.00000000 0.00000000
47 -0.09092018 -0.35221888 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 1.14601902 -0.00546347 0.19354335
49 0.00000000 0.00000000 -0.05293083 0.09332146 0.07906687
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.09441004 0.02437058 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.05293083 0.09332146 0.07906687
53 -0.02437058 -0.09441004 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.06687978 0.07913369 0.10102371
55 0.00000000 0.00000000 0.27078961 1.27609622 1.47549440
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.72279819 -0.18657984 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 0.27078961 1.27609622 1.47549440
59 0.18657984 0.72279819 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 -0.83164740 1.39998427 1.19900884
61 -0.56886880 0.14684520 0.00000000 0.00000000 0.00000000
62 -0.06567117 -0.25440586 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 0.62736243 -0.01837100 0.10565386
64 -0.25440586 0.06567117 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.25023714 0.06459508 0.00000000 0.00000000 0.00000000
67 -0.14684520 -0.56886880 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 0.62736243 -0.01837100 0.10565386
69 -0.06459508 -0.25023714 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 1.36316399 -0.02883146 0.20500154
31 32 33 34 35
1 0.00000000 0.00000000 0.00000000 0.00000000 0.01655562
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.01265258
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.12786725
4 0.00000000 0.00000000 0.00000000 0.00000000 0.02810242
5 -2.01909317 -2.03761099 -2.23351480 1.96311472 0.00000000
6 -2.03761099 2.01909317 -1.96311472 -2.23351480 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 -3.08977957
8 6.27247035 6.32999741 6.97435817 -6.13000869 0.00000000
9 6.32999741 -6.27247035 6.13000869 6.97435817 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 9.69198046
11 -0.61195344 -0.61756588 -0.74159926 0.65181767 0.00000000
12 -0.61756588 0.61195344 -0.65181767 -0.74159926 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 -0.97735227
14 0.00000000 0.00000000 0.00000000 0.00000000 0.01201806
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00143590 0.00144907 -0.00291032 0.00255799 0.00000000
17 0.00000000 0.00000000 0.00000000 0.00000000 0.01201806
18 0.00144907 -0.00143590 -0.00255799 -0.00291032 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.00652223
20 0.00000000 0.00000000 0.00000000 0.00000000 0.04962827
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.01531084 0.01545126 -0.02066703 0.01816498 0.00000000
23 0.00000000 0.00000000 0.00000000 0.00000000 0.04962827
24 0.01545126 -0.01531084 -0.01816498 -0.02066703 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.09316630
26 -3.01910198 -3.04679124 -3.34219000 2.93756834 0.00000000
27 -1.36256646 1.35018345 -1.31372050 -1.49467280 0.00000000
28 0.00000000 0.00000000 0.00000000 0.00000000 -2.06458566
29 -1.35018345 -1.36256646 -1.49467280 1.31372050 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -1.35987840 -1.37235033 -1.48133249 1.30199523 0.00000000
32 -3.04679124 3.01910198 -2.93756834 -3.34219000 0.00000000
33 0.00000000 0.00000000 0.00000000 0.00000000 -2.06458566
34 -1.37235033 1.35987840 -1.30199523 -1.48133249 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 -4.62886914
36 0.00000000 0.00000000 0.00000000 0.00000000 0.01655581
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.01265261
38 0.00000000 0.00000000 0.00000000 0.00000000 -0.12786774
39 0.00000000 0.00000000 0.00000000 0.00000000 0.02810289
40 -2.01908797 -2.03760574 2.23352015 -1.96311941 0.00000000
41 -2.03760574 2.01908797 1.96311941 2.23352015 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 3.08977409
43 6.27245411 6.32998102 -6.97437476 6.13002328 0.00000000
44 6.32998102 -6.27245411 -6.13002328 -6.97437476 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -9.69196323
46 -0.61195171 -0.61756413 0.74160087 -0.65181909 0.00000000
47 -0.61756413 0.61195171 0.65181909 0.74160087 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.97735000
49 0.00000000 0.00000000 0.00000000 0.00000000 0.01201807
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.00143590 -0.00144906 -0.00291033 0.00255799 0.00000000
52 0.00000000 0.00000000 0.00000000 0.00000000 0.01201807
53 -0.00144906 0.00143590 -0.00255799 -0.00291033 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.00652223
55 0.00000000 0.00000000 0.00000000 0.00000000 0.04962826
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.01531089 -0.01545131 -0.02066699 0.01816494 0.00000000
58 0.00000000 0.00000000 0.00000000 0.00000000 0.04962826
59 -0.01545131 0.01531089 -0.01816494 -0.02066699 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.09316656
61 -3.01909421 -3.04678339 3.34219799 -2.93757536 0.00000000
62 -1.36256296 1.35017998 1.31372364 1.49467638 0.00000000
63 0.00000000 0.00000000 0.00000000 0.00000000 2.06458201
64 -1.35017998 -1.36256296 1.49467638 -1.31372364 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -1.35987495 -1.37234685 1.48133610 -1.30199840 0.00000000
67 -3.04678339 3.01909421 2.93757536 3.34219799 0.00000000
68 0.00000000 0.00000000 0.00000000 0.00000000 2.06458201
69 -1.37234685 1.35987495 1.30199840 1.48133610 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 4.62886109
36 37 38 39 40
1 -0.03761327 0.00000000 0.00000000 0.00000000 0.00000000
2 0.00295848 0.00000000 0.00000000 0.00000000 0.00000000
3 0.25013644 0.00000000 0.00000000 0.00000000 0.00000000
4 -0.28638233 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 0.02281178 0.07592555
6 0.00000000 0.00000000 0.00000000 0.07592555 -0.02281178
7 -3.15289718 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 0.00000000 -0.07119706 -0.23696861
9 0.00000000 0.00000000 -0.00000000 -0.23696861 0.07119706
10 9.92107513 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.01135668 0.03779898
12 0.00000000 0.00000000 0.00000000 0.03779898 -0.01135668
13 -1.30169404 0.00000000 0.00000000 0.00000000 0.00000000
14 -0.00493517 0.00019685 -0.00000017 0.00000000 0.00000000
15 0.00000000 -0.00000020 -0.00022731 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00090060 0.00299750
17 -0.00493517 -0.00019685 0.00000017 0.00000000 0.00000000
18 0.00000000 0.00000000 0.00000000 0.00299750 -0.00090060
19 -0.00878618 0.00000000 0.00000000 0.00000000 0.00000000
20 -0.00277256 0.00039551 -0.00000035 0.00000000 0.00000000
21 0.00000000 -0.00000040 -0.00045669 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00038469 0.00128037
23 -0.00277256 -0.00039551 0.00000035 0.00000000 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00128037 -0.00038469
25 -0.15198453 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 -0.00000000 0.00000000 0.15598091 0.51915877
27 0.00000000 -0.00000000 0.00000000 0.23217486 -0.06975678
28 -2.10527538 -0.61246606 0.00053764 -0.00000000 -0.00000000
29 0.00000000 -0.00000000 0.00000000 0.06975678 0.23217486
30 0.00000000 0.00062081 0.70721489 -0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 -0.20882640 -0.69504695
32 0.00000000 -0.00000000 0.00000000 0.51915877 -0.15598091
33 -2.10527538 0.61246606 -0.00053764 0.00000000 0.00000000
34 0.00000000 0.00000000 -0.00000000 -0.69504695 0.20882640
35 -4.64126531 0.00000000 0.00000000 0.00000000 0.00000000
36 0.03761315 0.00000000 0.00000000 0.00000000 0.00000000
37 -0.00295844 0.00000000 0.00000000 0.00000000 0.00000000
38 -0.25013623 0.00000000 0.00000000 0.00000000 0.00000000
39 0.28638232 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 0.02281260 0.07592828
41 0.00000000 0.00000000 0.00000000 0.07592828 -0.02281260
42 -3.15290252 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 0.00000000 -0.07119963 -0.23697717
44 0.00000000 0.00000000 -0.00000000 -0.23697717 0.07119963
45 9.92109190 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 0.01135711 0.03780041
47 0.00000000 0.00000000 0.00000000 0.03780041 -0.01135711
48 -1.30169572 0.00000000 0.00000000 0.00000000 0.00000000
49 0.00493515 0.00019702 -0.00000017 0.00000000 0.00000000
50 0.00000000 -0.00000020 -0.00022750 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 -0.00090064 -0.00299764
52 0.00493515 -0.00019702 0.00000017 0.00000000 0.00000000
53 0.00000000 0.00000000 0.00000000 -0.00299764 0.00090064
54 0.00878620 0.00000000 0.00000000 0.00000000 0.00000000
55 0.00277249 0.00039549 -0.00000035 0.00000000 0.00000000
56 0.00000000 -0.00000040 -0.00045667 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 -0.00038471 -0.00128045
58 0.00277249 -0.00039549 0.00000035 0.00000000 0.00000000
59 0.00000000 0.00000000 0.00000000 -0.00128045 0.00038471
60 0.15198440 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 -0.00000000 0.00000000 0.15597854 0.51915089
62 0.00000000 -0.00000000 0.00000000 0.23217134 -0.06975572
63 -2.10527895 0.61227242 -0.00053747 0.00000000 0.00000000
64 0.00000000 -0.00000000 0.00000000 0.06975572 0.23217134
65 0.00000000 -0.00062061 -0.70699130 0.00000000 -0.00000000
66 0.00000000 0.00000000 0.00000000 -0.20881964 -0.69502445
67 0.00000000 -0.00000000 0.00000000 0.51915089 -0.15597854
68 -2.10527895 -0.61227242 0.00053747 -0.00000000 -0.00000000
69 0.00000000 0.00000000 -0.00000000 -0.69502445 0.20881964
70 -4.64127333 0.00000000 0.00000000 0.00000000 0.00000000
41 42 43 44 45
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
9 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
14 0.00056054 0.00000118 0.00000000 0.00000000 0.00000000
15 -0.00000136 0.00064726 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17 -0.00056054 -0.00000118 0.00000000 0.00000000 0.00000000
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
20 -0.00009996 -0.00000021 0.00000000 0.00000000 0.00000000
21 0.00000024 -0.00011543 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
23 0.00009996 0.00000021 0.00000000 0.00000000 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 0.00000000 0.23431626 -0.51008737 -0.23871805
27 0.00000000 0.00000000 -0.68435402 -0.31436825 0.67472722
28 0.61227681 0.00128935 0.00000000 0.00000000 0.00000000
29 0.00000000 0.00000000 -0.31436825 0.68435402 0.32027387
30 -0.00148881 0.70699636 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
32 0.00000000 0.00000000 0.51008737 0.23431626 -0.50291198
33 -0.61227681 -0.00128935 0.00000000 0.00000000 0.00000000
34 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
44 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
49 -0.00056049 -0.00000118 0.00000000 0.00000000 0.00000000
50 0.00000136 -0.00064720 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00056049 0.00000118 0.00000000 0.00000000 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
55 0.00010010 0.00000021 0.00000000 0.00000000 0.00000000
56 -0.00000024 0.00011559 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
58 -0.00010010 -0.00000021 0.00000000 0.00000000 0.00000000
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 0.00000000 0.23237975 -0.50587174 0.24070738
62 0.00000000 0.00000000 -0.67869816 -0.31177015 -0.68034998
63 0.61247045 0.00128975 0.00000000 0.00000000 0.00000000
64 0.00000000 0.00000000 -0.31177015 0.67869816 -0.32294284
65 -0.00148928 0.70721995 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
67 0.00000000 0.00000000 0.50587174 0.23237975 0.50710294
68 -0.61247045 -0.00128975 0.00000000 0.00000000 0.00000000
69 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
46 47 48 49 50
1 0.00000000 -0.13326687 0.00000000 0.00000000 -0.20448740
2 0.00000000 0.09644842 0.00000000 0.00000000 0.15319595
3 0.00000000 -0.10634777 0.00000000 0.00000000 -0.12137087
4 0.00000000 0.09148994 0.00000000 0.00000000 0.07211523
5 0.00000000 0.00000000 0.02284959 0.09811783 0.00000000
6 0.00000000 0.00000000 0.09811783 -0.02284959 0.00000000
7 0.00000000 -0.10120839 0.00000000 0.00000000 -0.30134614
8 0.00000000 0.00000000 -0.07177133 -0.30819138 0.00000000
9 0.00000000 0.00000000 -0.30819138 0.07177133 0.00000000
10 0.00000000 0.33871084 0.00000000 0.00000000 0.99976562
11 0.00000000 0.00000000 0.01198765 0.05147586 0.00000000
12 0.00000000 0.00000000 0.05147586 -0.01198765 0.00000000
13 0.00000000 -0.05726048 0.00000000 0.00000000 -0.22365556
14 0.00000000 0.00387379 0.00000000 0.00000000 0.01360533
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00132747 0.00570027 0.00000000
17 0.00000000 0.00387379 0.00000000 0.00000000 0.01360533
18 0.00000000 0.00000000 0.00570027 -0.00132747 0.00000000
19 0.00000000 -0.00954833 0.00000000 0.00000000 -0.03691468
20 0.00000000 0.03886519 0.00000000 0.00000000 0.06660503
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00052288 0.00224528 0.00000000
23 0.00000000 0.03886519 0.00000000 0.00000000 0.06660503
24 0.00000000 0.00000000 0.00224528 -0.00052288 0.00000000
25 0.00000000 0.03863647 0.00000000 0.00000000 0.02868688
26 0.50291198 0.00000000 -0.06667234 -0.28629593 0.00000000
27 0.32027387 0.00000000 -0.12803543 0.02981678 0.00000000
28 0.00000000 -0.54134701 0.00000000 0.00000000 0.28287160
29 -0.67472722 0.00000000 -0.02981678 -0.12803543 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.18977114 0.81489124 0.00000000
32 -0.23871805 0.00000000 -0.28629593 0.06667234 0.00000000
33 0.00000000 -0.54134701 0.00000000 0.00000000 0.28287160
34 0.00000000 0.00000000 0.81489124 -0.18977114 0.00000000
35 0.00000000 0.55821710 0.00000000 0.00000000 -1.13508831
36 0.00000000 -0.13326752 0.00000000 0.00000000 0.20448695
37 0.00000000 0.09644892 0.00000000 0.00000000 -0.15319564
38 0.00000000 -0.10634819 0.00000000 0.00000000 0.12137056
39 0.00000000 0.09149016 0.00000000 0.00000000 -0.07211494
40 0.00000000 0.00000000 -0.02284909 -0.09811567 0.00000000
41 0.00000000 0.00000000 -0.09811567 0.02284909 0.00000000
42 0.00000000 0.10120940 0.00000000 0.00000000 -0.30134583
43 0.00000000 0.00000000 0.07176977 0.30818465 0.00000000
44 0.00000000 0.00000000 0.30818465 -0.07176977 0.00000000
45 0.00000000 -0.33871419 0.00000000 0.00000000 0.99976458
46 0.00000000 0.00000000 -0.01198740 -0.05147479 0.00000000
47 0.00000000 0.00000000 -0.05147479 0.01198740 0.00000000
48 0.00000000 0.05726122 0.00000000 0.00000000 -0.22365538
49 0.00000000 0.00387382 0.00000000 0.00000000 -0.01360533
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00132746 0.00570019 0.00000000
52 0.00000000 0.00387382 0.00000000 0.00000000 -0.01360533
53 0.00000000 0.00000000 0.00570019 -0.00132746 0.00000000
54 0.00000000 -0.00954843 0.00000000 0.00000000 0.03691466
55 0.00000000 0.03886542 0.00000000 0.00000000 -0.06660490
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00052287 0.00224523 0.00000000
58 0.00000000 0.03886542 0.00000000 0.00000000 -0.06660490
59 0.00000000 0.00000000 0.00224523 -0.00052287 0.00000000
60 0.00000000 0.03863655 0.00000000 0.00000000 -0.02868678
61 -0.50710294 0.00000000 0.06667579 0.28631073 0.00000000
62 -0.32294284 0.00000000 0.12804205 -0.02981832 0.00000000
63 0.00000000 0.54134614 0.00000000 0.00000000 0.28287332
64 0.68034998 0.00000000 0.02981832 0.12804205 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.00000000 0.00000000 -0.18977577 -0.81491109 0.00000000
67 0.24070738 0.00000000 0.28631073 -0.06667579 0.00000000
68 0.00000000 0.54134614 0.00000000 0.00000000 0.28287332
69 0.00000000 0.00000000 -0.81491109 0.18977577 0.00000000
70 0.00000000 -0.55821340 0.00000000 0.00000000 -1.13509012
51 52 53 54 55
1 -0.30844883 0.00000000 0.00000000 0.00000000 0.00000000
2 0.15620154 0.00000000 0.00000000 0.00000000 0.00000000
3 -0.01499481 0.00000000 0.00000000 0.00000000 0.00000000
4 0.14351966 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 -0.01271060 0.05757155 0.00000000 0.00000000
6 0.00000000 -0.05757155 -0.01271060 0.00000000 0.00000000
7 -0.04736070 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.03382510 -0.15320788 0.00000000 0.00000000
9 0.00000000 0.15320788 0.03382510 0.00000000 0.00000000
10 0.23420610 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 -0.00836149 0.03787265 0.00000000 0.00000000
12 0.00000000 -0.03787265 -0.00836149 0.00000000 0.00000000
13 -0.05469552 0.00000000 0.00000000 0.00000000 0.00000000
14 0.43308341 0.00000000 0.00000000 -0.00118125 0.74924461
15 0.00000000 0.00000000 0.00000000 -0.86515316 -0.00136399
16 0.00000000 -0.18604864 0.84269130 0.00000000 0.00000000
17 0.43308341 0.00000000 0.00000000 0.00118125 -0.74924461
18 0.00000000 -0.84269130 -0.18604864 0.00000000 0.00000000
19 -0.85576874 0.00000000 0.00000000 0.00000000 0.00000000
20 -0.17392409 0.00000000 0.00000000 0.00057460 -0.36445759
21 0.00000000 0.00000000 0.00000000 0.42083937 0.00066349
22 0.00000000 0.08927787 -0.40437645 0.00000000 0.00000000
23 -0.17392409 0.00000000 0.00000000 -0.00057460 0.36445759
24 0.00000000 0.40437645 0.08927787 0.00000000 0.00000000
25 0.43207658 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 -0.01203605 0.05451625 0.00000000 0.00000000
27 0.00000000 -0.02438041 -0.00538268 0.00000000 0.00000000
28 -0.04224163 0.00000000 0.00000000 -0.00000045 0.00028622
29 0.00000000 -0.00538268 0.02438041 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 -0.00033050 -0.00000052
31 0.00000000 -0.00646788 0.02929569 0.00000000 0.00000000
32 0.00000000 -0.05451625 -0.01203605 0.00000000 0.00000000
33 -0.04224163 0.00000000 0.00000000 0.00000045 -0.00028622
34 0.00000000 -0.02929569 -0.00646788 0.00000000 0.00000000
35 -0.11738589 0.00000000 0.00000000 0.00000000 0.00000000
36 -0.30844913 0.00000000 0.00000000 0.00000000 0.00000000
37 0.15620169 0.00000000 0.00000000 0.00000000 0.00000000
38 -0.01499476 0.00000000 0.00000000 0.00000000 0.00000000
39 0.14351973 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 -0.01271063 0.05757169 0.00000000 0.00000000
41 0.00000000 -0.05757169 -0.01271063 0.00000000 0.00000000
42 0.04736083 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.03382517 -0.15320821 0.00000000 0.00000000
44 0.00000000 0.15320821 0.03382517 0.00000000 0.00000000
45 -0.23420647 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 -0.00836151 0.03787275 0.00000000 0.00000000
47 0.00000000 -0.03787275 -0.00836151 0.00000000 0.00000000
48 0.05469567 0.00000000 0.00000000 0.00000000 0.00000000
49 0.43308320 0.00000000 0.00000000 -0.00118122 0.74922560
50 0.00000000 0.00000000 0.00000000 -0.86513121 -0.00136395
51 0.00000000 0.18604823 -0.84268948 0.00000000 0.00000000
52 0.43308320 0.00000000 0.00000000 0.00118122 -0.74922560
53 0.00000000 0.84268948 0.18604823 0.00000000 0.00000000
54 -0.85576834 0.00000000 0.00000000 0.00000000 0.00000000
55 -0.17392395 0.00000000 0.00000000 0.00057458 -0.36444831
56 0.00000000 0.00000000 0.00000000 0.42082866 0.00066347
57 0.00000000 -0.08927767 0.40437554 0.00000000 0.00000000
58 -0.17392395 0.00000000 0.00000000 -0.00057458 0.36444831
59 0.00000000 -0.40437554 -0.08927767 0.00000000 0.00000000
60 0.43207637 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 -0.01203607 0.05451635 0.00000000 0.00000000
62 0.00000000 -0.02438045 -0.00538269 0.00000000 0.00000000
63 0.04224168 0.00000000 0.00000000 0.00000045 -0.00028623
64 0.00000000 -0.00538269 0.02438045 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00033051 0.00000052
66 0.00000000 -0.00646789 0.02929574 0.00000000 0.00000000
67 0.00000000 -0.05451635 -0.01203607 0.00000000 0.00000000
68 0.04224168 0.00000000 0.00000000 -0.00000045 0.00028623
69 0.00000000 -0.02929574 -0.00646789 0.00000000 0.00000000
70 0.11738603 0.00000000 0.00000000 0.00000000 0.00000000
56 57 58 59 60
1 0.00000000 0.00000000 0.00000000 0.00000000 0.88178557
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.38545718
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.25948317
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.20386023
5 0.00000000 0.00000000 -0.03837145 -0.06924040 0.00000000
6 0.00000000 0.00000000 0.06924040 -0.03837145 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.35961161
8 0.00000000 0.00000000 0.10066631 0.18165003 0.00000000
9 0.00000000 0.00000000 -0.18165003 0.10066631 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -1.12934186
11 0.00000000 0.00000000 -0.02567278 -0.04632594 0.00000000
12 0.00000000 0.00000000 0.04632594 -0.02567278 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.34411788
14 -0.00030612 -0.74959330 0.00000000 0.00000000 0.43895615
15 -0.86555579 0.00035348 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.42084221 0.75940006 0.00000000
17 0.00030612 0.74959330 0.00000000 0.00000000 0.43895615
18 0.00000000 0.00000000 -0.75940006 0.42084221 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.88764940
20 0.00014936 0.36572323 0.00000000 0.00000000 -0.27915613
21 0.42230081 -0.00017246 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.20952436 -0.37808188 0.00000000
23 -0.00014936 -0.36572323 0.00000000 0.00000000 -0.27915613
24 0.00000000 0.00000000 0.37808188 -0.20952436 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.47492647
26 0.00000000 0.00000000 -0.03499939 -0.06315559 0.00000000
27 0.00000000 0.00000000 0.02824404 -0.01565220 0.00000000
28 0.00000022 0.00054523 0.00000000 0.00000000 0.16901727
29 0.00000000 0.00000000 -0.01565220 -0.02824404 0.00000000
30 0.00062957 -0.00000026 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.01979247 -0.03571505 0.00000000
32 0.00000000 0.00000000 0.06315559 -0.03499939 0.00000000
33 -0.00000022 -0.00054523 0.00000000 0.00000000 0.16901727
34 0.00000000 0.00000000 0.03571505 -0.01979247 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.47575262
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.88178528
37 0.00000000 0.00000000 0.00000000 0.00000000 0.38545707
38 0.00000000 0.00000000 0.00000000 0.00000000 0.25948308
39 0.00000000 0.00000000 0.00000000 0.00000000 0.20386012
40 0.00000000 0.00000000 0.03837142 0.06924033 0.00000000
41 0.00000000 0.00000000 -0.06924033 0.03837142 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.35961165
43 0.00000000 0.00000000 -0.10066623 -0.18164989 0.00000000
44 0.00000000 0.00000000 0.18164989 -0.10066623 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -1.12934198
46 0.00000000 0.00000000 0.02567275 0.04632588 0.00000000
47 0.00000000 0.00000000 -0.04632588 0.02567275 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.34411788
49 0.00030613 0.74961230 0.00000000 0.00000000 -0.43895636
50 0.86557773 -0.00035349 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.42084311 0.75940169 0.00000000
52 -0.00030613 -0.74961230 0.00000000 0.00000000 -0.43895636
53 0.00000000 0.00000000 -0.75940169 0.42084311 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.88764979
55 -0.00014936 -0.36573247 0.00000000 0.00000000 0.27915622
56 -0.42231148 0.00017247 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.20952479 -0.37808266 0.00000000
58 0.00014936 0.36573247 0.00000000 0.00000000 0.27915622
59 0.00000000 0.00000000 0.37808266 -0.20952479 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.47492665
61 0.00000000 0.00000000 0.03499937 0.06315556 0.00000000
62 0.00000000 0.00000000 -0.02824402 0.01565219 0.00000000
63 0.00000022 0.00054523 0.00000000 0.00000000 0.16901730
64 0.00000000 0.00000000 0.01565219 0.02824402 0.00000000
65 0.00062958 -0.00000026 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.01979246 0.03571504 0.00000000
67 0.00000000 0.00000000 -0.06315556 0.03499937 0.00000000
68 -0.00000022 -0.00054523 0.00000000 0.00000000 0.16901730
69 0.00000000 0.00000000 -0.03571504 0.01979246 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.47575269
61 62 63 64 65
1 -9.15652331 -10.25315704 0.00000000 0.00000000 0.00000000
2 2.05646199 2.22664636 0.00000000 0.00000000 0.00000000
3 6.04095839 6.92309147 0.00000000 0.00000000 0.00000000
4 2.44711614 2.66534504 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 -0.65647118 -0.69067143 -0.73886841
6 0.00000000 0.00000000 -0.69067143 0.65647118 -0.69184116
7 -0.44587690 0.16349951 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 4.37691832 4.60494309 4.79043012
9 0.00000000 0.00000000 4.60494309 -4.37691832 4.48553042
10 3.00792302 -1.02799768 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 -0.31361777 -0.32995635 -0.37209833
12 0.00000000 0.00000000 -0.32995635 0.31361777 -0.34841514
13 -0.22569860 0.13250383 0.00000000 0.00000000 0.00000000
14 0.35652350 0.45976298 0.00000000 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 -0.01102127 -0.01159545 0.01592702
17 0.35652350 0.45976298 0.00000000 0.00000000 0.00000000
18 0.00000000 0.00000000 -0.01159545 0.01102127 0.01491331
19 0.40591079 0.35157134 0.00000000 0.00000000 0.00000000
20 -0.58114161 -0.73552182 0.00000000 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.01060072 0.01115299 -0.01489389
23 -0.58114161 -0.73552182 0.00000000 0.00000000 0.00000000
24 0.00000000 0.00000000 0.01115299 -0.01060072 -0.01394593
25 -0.62539761 -0.62697275 0.00000000 0.00000000 0.00000000
26 0.00000000 0.00000000 -2.46292474 -2.59123599 -2.66939717
27 0.00000000 0.00000000 -1.15883596 1.10145343 -1.11780871
28 -0.74975433 0.23514020 0.00000000 0.00000000 0.00000000
29 0.00000000 0.00000000 -1.10145343 -1.15883596 -1.19379071
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -1.09659441 -1.15372380 -1.20002428
32 0.00000000 0.00000000 -2.59123599 2.46292474 -2.49949626
33 -0.74975433 0.23514020 0.00000000 0.00000000 0.00000000
34 0.00000000 0.00000000 -1.15372380 1.09659441 -1.12364553
35 -1.69651199 0.57411313 0.00000000 0.00000000 0.00000000
36 -9.15636656 10.25329003 0.00000000 0.00000000 0.00000000
37 2.05642794 -2.22667626 0.00000000 0.00000000 0.00000000
38 6.04085248 -6.92317917 0.00000000 0.00000000 0.00000000
39 2.44707548 -2.66538060 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 -0.65646596 -0.69066593 0.73887360
41 0.00000000 0.00000000 -0.69066593 0.65646596 0.69184602
42 0.44587861 0.16349155 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 4.37688448 4.60490749 -4.79046476
44 0.00000000 0.00000000 4.60490749 -4.37688448 -4.48556285
45 -3.00793389 -1.02794465 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 -0.31361514 -0.32995358 0.37210081
47 0.00000000 0.00000000 -0.32995358 0.31361514 0.34841746
48 0.22570017 0.13249985 0.00000000 0.00000000 0.00000000
49 0.35651649 -0.45976815 0.00000000 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.01102139 0.01159557 0.01592694
52 0.35651649 -0.45976815 0.00000000 0.00000000 0.00000000
53 0.00000000 0.00000000 0.01159557 -0.01102139 0.01491322
54 0.40590539 -0.35157724 0.00000000 0.00000000 0.00000000
55 -0.58113036 0.73553024 0.00000000 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.01060083 -0.01115310 -0.01489381
58 -0.58113036 0.73553024 0.00000000 0.00000000 0.00000000
59 0.00000000 0.00000000 -0.01115310 0.01060083 -0.01394585
60 -0.62538796 0.62698180 0.00000000 0.00000000 0.00000000
61 0.00000000 0.00000000 -2.46290589 -2.59121615 2.66941666
62 0.00000000 0.00000000 -1.15882709 1.10144500 1.11781687
63 0.74975674 0.23512699 0.00000000 0.00000000 0.00000000
64 0.00000000 0.00000000 -1.10144500 -1.15882709 1.19379942
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -1.09658593 -1.15371488 1.20003296
67 0.00000000 0.00000000 -2.59121615 2.46290589 2.49951452
68 0.74975674 0.23512699 0.00000000 0.00000000 0.00000000
69 0.00000000 0.00000000 -1.15371488 1.09658593 1.12365366
70 1.69651810 0.57408332 0.00000000 0.00000000 0.00000000
66 67 68 69 70
1 0.00000000 4.97993448 -1.62160954 54.40328073 -54.57159040
2 0.00000000 -1.11032045 0.35606534 -26.38004074 26.34864360
3 0.00000000 -3.30287918 1.16269054 -32.02004074 32.40818297
4 0.00000000 -1.32158583 0.29005745 -15.35918276 15.20068970
5 0.69184116 0.00000000 0.00000000 0.00000000 0.00000000
6 -0.73886841 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00000000 -0.97564642 -1.14481041 -0.11914501 -0.04622159
8 -4.48553042 0.00000000 0.00000000 0.00000000 0.00000000
9 4.79043012 0.00000000 0.00000000 0.00000000 0.00000000
10 0.00000000 6.06073184 6.99404836 0.41985210 0.15432868
11 0.34841514 0.00000000 0.00000000 0.00000000 0.00000000
12 -0.37209833 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00000000 -0.45182308 -0.65864039 -0.02201864 0.02477186
14 0.00000000 -0.20605181 0.04260350 3.52617486 -3.51379243
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.01491331 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00000000 -0.20605181 0.04260350 3.52617486 -3.51379243
18 0.01592702 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00000000 -0.20931633 0.10413540 3.49844841 -3.55883643
20 0.00000000 0.33028864 -0.09586279 3.26534300 -3.37395598
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.01394593 0.00000000 0.00000000 0.00000000 0.00000000
23 0.00000000 0.33028864 -0.09586279 3.26534300 -3.37395598
24 -0.01489389 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00000000 0.35925326 -0.17284295 3.34074264 -3.27360773
26 2.49949626 0.00000000 0.00000000 0.00000000 0.00000000
27 -1.19379071 0.00000000 0.00000000 0.00000000 0.00000000
28 0.00000000 -1.50637311 -1.70771593 -0.09640969 -0.04675010
29 1.11780871 0.00000000 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 1.12364553 0.00000000 0.00000000 0.00000000 0.00000000
32 -2.66939717 0.00000000 0.00000000 0.00000000 0.00000000
33 0.00000000 -1.50637311 -1.70771593 -0.09640969 -0.04675010
34 -1.20002428 0.00000000 0.00000000 0.00000000 0.00000000
35 0.00000000 -3.34349485 -3.84659687 -0.18229141 -0.06257277
36 0.00000000 4.97994929 1.62160861 54.40324306 54.57162794
37 0.00000000 -1.11032370 -0.35606511 -26.38002255 -26.34866181
38 0.00000000 -3.30288927 -1.16268989 -32.02001837 -32.40820506
39 0.00000000 -1.32158949 -0.29005722 -15.35917227 -15.20070030
40 -0.69184602 0.00000000 0.00000000 0.00000000 0.00000000
41 0.73887360 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00000000 0.97564496 -1.14481208 0.11914504 -0.04622152
43 4.48556285 0.00000000 0.00000000 0.00000000 0.00000000
44 -4.79046476 0.00000000 0.00000000 0.00000000 0.00000000
45 0.00000000 -6.06072308 6.99405895 -0.41985218 0.15432841
46 -0.34841746 0.00000000 0.00000000 0.00000000 0.00000000
47 0.37210081 0.00000000 0.00000000 0.00000000 0.00000000
48 0.00000000 0.45182229 -0.65864118 0.02201862 0.02477187
49 0.00000000 -0.20605241 -0.04260347 3.52617243 3.51379486
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.01491322 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00000000 -0.20605241 -0.04260347 3.52617243 3.51379486
53 0.01592694 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00000000 -0.20931690 -0.10413539 3.49844596 3.55883885
55 0.00000000 0.33028966 0.09586270 3.26534067 3.37395824
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.01394585 0.00000000 0.00000000 0.00000000 0.00000000
58 0.00000000 0.33028966 0.09586270 3.26534067 3.37395824
59 -0.01489381 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00000000 0.35925428 0.17284285 3.34074038 3.27361004
61 -2.49951452 0.00000000 0.00000000 0.00000000 0.00000000
62 1.19379942 0.00000000 0.00000000 0.00000000 0.00000000
63 0.00000000 1.50637096 -1.70771857 0.09640971 -0.04675004
64 -1.11781687 0.00000000 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -1.12365366 0.00000000 0.00000000 0.00000000 0.00000000
67 2.66941666 0.00000000 0.00000000 0.00000000 0.00000000
68 0.00000000 1.50637096 -1.70771857 0.09640971 -0.04675004
69 1.20003296 0.00000000 0.00000000 0.00000000 0.00000000
70 0.00000000 3.34349005 -3.84660275 0.18229144 -0.06257266
-----------------------------------------
UHF spin-down orbital coefficients
-----------------------------------------
1 2 3 4 5
1 -0.49410195 -0.55195843 0.03133047 -0.04685268 -0.09132298
2 -0.00892658 -0.02370887 0.27061702 0.26847867 0.05327126
3 0.49463964 0.63372937 -2.19901412 -2.19009879 -0.42887839
4 -0.49942144 -0.83713235 1.19691159 1.64032472 0.20669669
5 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00304146 -0.00252160 -0.09690656 0.00964057 0.42187210
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10 -0.01362283 0.01295355 0.35593728 -0.04093388 -1.53251674
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13 0.01002777 -0.00931239 -0.23891749 0.04363971 0.89029086
14 -0.00556593 -0.00707649 0.01780831 0.01853664 0.00259684
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17 -0.00556593 -0.00707649 0.01780831 0.01853664 0.00259684
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
19 -0.00595688 -0.00616938 0.02053619 0.01527472 0.00461520
20 -0.04966670 -0.06252061 0.24490094 0.22729639 0.04972391
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
23 -0.04966670 -0.06252061 0.24490094 0.22729639 0.04972391
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
25 -0.04770675 -0.06645166 0.22556601 0.24510550 0.05021375
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
28 0.00220412 -0.00192223 -0.06296129 0.00625519 0.27532521
29 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
33 0.00220412 -0.00192223 -0.06296129 0.00625519 0.27532521
34 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
35 0.00479760 -0.00433000 -0.14121885 0.01487254 0.61406839
36 -0.49410124 0.55195898 0.03133066 0.04685244 -0.09132315
37 -0.00892656 0.02370891 0.27061605 -0.26847971 0.05327131
38 0.49463904 -0.63373026 -2.19900603 2.19010708 -0.42887880
39 -0.49942062 0.83713313 1.19690537 -1.64032908 0.20669684
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
42 -0.00304144 -0.00252166 0.09690659 0.00964013 -0.42187193
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
45 0.01362277 0.01295375 -0.35593738 -0.04093228 1.53251613
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
48 -0.01002770 -0.00931253 0.23891768 0.04363858 -0.89029047
49 -0.00556592 0.00707650 0.01780824 -0.01853671 0.00259685
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
52 -0.00556592 0.00707650 0.01780824 -0.01853671 0.00259685
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54 -0.00595687 0.00616940 0.02053613 -0.01527480 0.00461520
55 -0.04966664 0.06252071 0.24490010 -0.22729732 0.04972394
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
58 -0.04966664 0.06252071 0.24490010 -0.22729732 0.04972394
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60 -0.04770669 0.06645175 0.22556511 -0.24510635 0.05021383
61 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
62 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
63 -0.00220411 -0.00192226 0.06296130 0.00625491 -0.27532510
64 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
67 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
68 -0.00220411 -0.00192226 0.06296130 0.00625491 -0.27532510
69 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
70 -0.00479757 -0.00433008 0.14121889 0.01487190 -0.61406815
6 7 8 9 10
1 0.00000000 0.00000000 0.00000000 0.00000000 0.18568133
2 0.00000000 0.00000000 0.00000000 0.00000000 0.08258350
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.67927988
4 0.00000000 0.00000000 0.00000000 0.00000000 0.69096978
5 -0.55117192 -0.10051944 -0.49927762 -0.24565655 0.00000000
6 -0.10051944 0.55117192 -0.24565655 0.49927762 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.64110403
8 2.00835880 0.36627247 1.81797551 0.89448749 0.00000000
9 0.36627247 -2.00835880 0.89448749 -1.81797551 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -2.34051446
11 -1.04918278 -0.19134368 -1.00718802 -0.49556063 0.00000000
12 -0.19134368 1.04918278 -0.49556063 1.00718802 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 1.41659921
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00244444
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00259872 0.00047394 -0.00266528 -0.00131138 0.00000000
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00244444
18 0.00047394 -0.00259872 -0.00131138 0.00266528 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.01086642
20 0.00000000 0.00000000 0.00000000 0.00000000 0.08189161
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.01304928 -0.00237985 0.01323912 0.00651397 0.00000000
23 0.00000000 0.00000000 0.00000000 0.00000000 0.08189161
24 -0.00237985 0.01304928 0.00651397 -0.01323912 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.02416592
26 -0.80458428 -0.14673527 -0.72730153 -0.35784977 0.00000000
27 -0.06562201 0.35982103 -0.16003528 0.32525913 0.00000000
28 0.00000000 0.00000000 0.00000000 0.00000000 0.41363067
29 -0.35982103 -0.06562201 -0.32525913 -0.16003528 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -0.36099389 -0.06583591 -0.32406710 -0.15944877 0.00000000
32 -0.14673527 0.80458428 -0.35784977 0.72730153 0.00000000
33 0.00000000 0.00000000 0.00000000 0.00000000 0.41363067
34 -0.06583591 0.36099389 -0.15944877 0.32406710 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.92434221
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.18568108
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.08258344
38 0.00000000 0.00000000 0.00000000 0.00000000 0.67927970
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.69096985
40 -0.55117156 -0.10051937 0.49927800 0.24565673 0.00000000
41 -0.10051937 0.55117156 0.24565673 -0.49927800 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.64110418
43 2.00835751 0.36627224 -1.81797690 -0.89448817 0.00000000
44 0.36627224 -2.00835751 -0.89448817 1.81797690 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -2.34051503
46 -1.04918204 -0.19134355 1.00718870 0.49556096 0.00000000
47 -0.19134355 1.04918204 0.49556096 -1.00718870 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 1.41659948
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.00244444
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 -0.00259872 -0.00047394 -0.00266528 -0.00131138 0.00000000
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.00244444
53 -0.00047394 0.00259872 -0.00131138 0.00266528 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 -0.01086641
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.08189156
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.01304931 0.00237986 0.01323909 0.00651395 0.00000000
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.08189156
59 0.00237986 -0.01304931 0.00651395 -0.01323909 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.02416594
61 -0.80458375 -0.14673518 0.72730208 0.35785004 0.00000000
62 -0.06562197 0.35982079 0.16003540 -0.32525938 0.00000000
63 0.00000000 0.00000000 0.00000000 0.00000000 0.41363077
64 -0.35982079 -0.06562197 0.32525938 0.16003540 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.36099366 -0.06583587 0.32406734 0.15944889 0.00000000
67 -0.14673518 0.80458375 0.35785004 -0.72730208 0.00000000
68 0.00000000 0.00000000 0.00000000 0.00000000 0.41363077
69 -0.06583587 0.36099366 0.15944889 -0.32406734 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.92434244
11 12 13 14 15
1 -2.05183521 2.11727967 0.00000000 0.00000000 -0.08608959
2 -0.87011332 0.97040644 0.00000000 0.00000000 -0.12214858
3 4.50095016 -4.91296690 0.00000000 0.00000000 0.30782495
4 -0.30430084 0.56077663 0.00000000 0.00000000 -0.34026122
5 0.00000000 0.00000000 -1.17102798 0.98171533 0.00000000
6 0.00000000 0.00000000 -0.98171533 -1.17102798 0.00000000
7 -0.13252902 -0.15622357 0.00000000 0.00000000 -1.58014150
8 0.00000000 0.00000000 4.42087470 -3.70617999 0.00000000
9 0.00000000 0.00000000 3.70617999 4.42087470 0.00000000
10 0.47970910 0.57220926 0.00000000 0.00000000 5.97723975
11 0.00000000 0.00000000 -0.77683834 0.65125183 0.00000000
12 0.00000000 0.00000000 -0.65125183 -0.77683834 0.00000000
13 -0.15465285 -0.17428602 0.00000000 0.00000000 -1.33351240
14 -0.03753526 0.04931472 0.00000000 0.00000000 0.01805723
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.01958809 -0.01642141 0.00000000
17 -0.03753526 0.04931472 0.00000000 0.00000000 0.01805723
18 0.00000000 0.00000000 0.01642141 0.01958809 0.00000000
19 -0.05170216 0.03364844 0.00000000 0.00000000 -0.03273214
20 -0.70038775 0.70496659 0.00000000 0.00000000 -0.12374655
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.12719090 0.10662876 0.00000000
23 -0.70038775 0.70496659 0.00000000 0.00000000 -0.12374655
24 0.00000000 0.00000000 -0.10662876 -0.12719090 0.00000000
25 -0.61511778 0.80840152 0.00000000 0.00000000 0.26486645
26 0.00000000 0.00000000 -1.72981939 1.45017048 0.00000000
27 0.00000000 0.00000000 -0.64853596 -0.77359875 0.00000000
28 -0.08898442 -0.10323981 0.00000000 0.00000000 -1.03457436
29 0.00000000 0.00000000 -0.77359875 0.64853596 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.77640387 0.65088759 0.00000000
32 0.00000000 0.00000000 -1.45017048 -1.72981939 0.00000000
33 -0.08898442 -0.10323981 0.00000000 0.00000000 -1.03457436
34 0.00000000 0.00000000 -0.65088759 -0.77640387 0.00000000
35 -0.19444482 -0.22662935 0.00000000 0.00000000 -2.31423834
36 -2.05183286 -2.11728200 0.00000000 0.00000000 0.08608960
37 -0.87011221 -0.97040740 0.00000000 0.00000000 0.12214856
38 4.50094465 4.91297194 0.00000000 0.00000000 -0.30782465
39 -0.30430018 -0.56077693 0.00000000 0.00000000 0.34026115
40 0.00000000 0.00000000 -1.17102605 0.98171371 0.00000000
41 0.00000000 0.00000000 -0.98171371 -1.17102605 0.00000000
42 0.13252919 -0.15622346 0.00000000 0.00000000 -1.58014019
43 0.00000000 0.00000000 4.42086737 -3.70617384 0.00000000
44 0.00000000 0.00000000 3.70617384 4.42086737 0.00000000
45 -0.47970968 0.57220890 0.00000000 0.00000000 5.97723475
46 0.00000000 0.00000000 -0.77683690 0.65125061 0.00000000
47 0.00000000 0.00000000 -0.65125061 -0.77683690 0.00000000
48 0.15465311 -0.17428588 0.00000000 0.00000000 -1.33351153
49 -0.03753521 -0.04931477 0.00000000 0.00000000 -0.01805725
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 -0.01958810 0.01642142 0.00000000
52 -0.03753521 -0.04931477 0.00000000 0.00000000 -0.01805725
53 0.00000000 0.00000000 -0.01642142 -0.01958810 0.00000000
54 -0.05170213 -0.03364850 0.00000000 0.00000000 0.03273217
55 -0.70038697 -0.70496740 0.00000000 0.00000000 0.12374660
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.12719094 -0.10662879 0.00000000
58 -0.70038697 -0.70496740 0.00000000 0.00000000 0.12374660
59 0.00000000 0.00000000 0.10662879 0.12719094 0.00000000
60 -0.61511691 -0.80840221 0.00000000 0.00000000 -0.26486675
61 0.00000000 0.00000000 -1.72981653 1.45016809 0.00000000
62 0.00000000 0.00000000 -0.64853488 -0.77359747 0.00000000
63 0.08898454 -0.10323974 0.00000000 0.00000000 -1.03457351
64 0.00000000 0.00000000 -0.77359747 0.64853488 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -0.77640260 0.65088653 0.00000000
67 0.00000000 0.00000000 -1.45016809 -1.72981653 0.00000000
68 0.08898454 -0.10323974 0.00000000 0.00000000 -1.03457351
69 0.00000000 0.00000000 -0.65088653 -0.77640260 0.00000000
70 0.19444506 -0.22662918 0.00000000 0.00000000 -2.31423641
16 17 18 19 20
1 0.00000000 0.00000000 -0.19157191 0.13506698 0.00000000
2 0.00000000 0.00000000 -0.11308594 0.12841164 0.00000000
3 0.00000000 0.00000000 0.62216694 -0.30473020 0.00000000
4 0.00000000 0.00000000 -0.07778553 0.07503268 0.00000000
5 1.28129001 0.96047341 0.00000000 0.00000000 0.29933255
6 0.96047341 -1.28129001 0.00000000 0.00000000 0.24016992
7 0.00000000 0.00000000 -1.22589261 -1.00401043 0.00000000
8 -4.84012951 -3.62823063 0.00000000 0.00000000 -1.14112621
9 -3.62823063 4.84012951 0.00000000 0.00000000 -0.91558432
10 0.00000000 0.00000000 4.66964353 3.78783794 0.00000000
11 0.92778338 0.69547975 0.00000000 0.00000000 0.23798150
12 0.69547975 -0.92778338 0.00000000 0.00000000 0.19094481
13 0.00000000 0.00000000 -0.80189782 -0.71422612 0.00000000
14 0.00000000 0.00000000 -0.03320335 0.04832512 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.02186012 0.01638666 0.00000000 0.00000000 0.08238075
17 0.00000000 0.00000000 -0.03320335 0.04832512 0.00000000
18 0.01638666 -0.02186012 0.00000000 0.00000000 0.06609832
19 0.00000000 0.00000000 0.05073064 -0.09598301 0.00000000
20 0.00000000 0.00000000 0.10445579 -0.31614057 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.14776573 -0.11076731 0.00000000 0.00000000 -0.57933116
23 0.00000000 0.00000000 0.10445579 -0.31614057 0.00000000
24 -0.11076731 0.14776573 0.00000000 0.00000000 -0.46482722
25 0.00000000 0.00000000 -0.49293653 0.64557819 0.00000000
26 1.89099301 1.41751553 0.00000000 0.00000000 0.43967361
27 0.63393222 -0.84567778 0.00000000 0.00000000 0.15776478
28 0.00000000 0.00000000 -0.80619760 -0.66939441 0.00000000
29 0.84567778 0.63393222 0.00000000 0.00000000 0.19662802
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.84305889 0.63196906 0.00000000 0.00000000 0.19496847
32 1.41751553 -1.89099301 0.00000000 0.00000000 0.35277278
33 0.00000000 0.00000000 -0.80619760 -0.66939441 0.00000000
34 0.63196906 -0.84305889 0.00000000 0.00000000 0.15643324
35 0.00000000 0.00000000 -1.80835613 -1.48602164 0.00000000
36 0.00000000 0.00000000 -0.19157214 0.13506697 0.00000000
37 0.00000000 0.00000000 -0.11308615 0.12841162 0.00000000
38 0.00000000 0.00000000 0.62216741 -0.30473026 0.00000000
39 0.00000000 0.00000000 -0.07778572 0.07503261 0.00000000
40 -1.28129190 -0.96047482 0.00000000 0.00000000 0.29933280
41 -0.96047482 1.28129190 0.00000000 0.00000000 0.24017012
42 0.00000000 0.00000000 1.22589381 1.00401087 0.00000000
43 4.84013659 3.62823593 0.00000000 0.00000000 -1.14112718
44 3.62823593 -4.84013659 0.00000000 0.00000000 -0.91558510
45 0.00000000 0.00000000 -4.66964802 -3.78783959 0.00000000
46 -0.92778461 -0.69548068 0.00000000 0.00000000 0.23798174
47 -0.69548068 0.92778461 0.00000000 0.00000000 0.19094501
48 0.00000000 0.00000000 0.80189868 0.71422653 0.00000000
49 0.00000000 0.00000000 -0.03320332 0.04832513 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.02186009 0.01638664 0.00000000 0.00000000 -0.08238068
52 0.00000000 0.00000000 -0.03320332 0.04832513 0.00000000
53 0.01638664 -0.02186009 0.00000000 0.00000000 -0.06609826
54 0.00000000 0.00000000 0.05073059 -0.09598301 0.00000000
55 0.00000000 0.00000000 0.10445558 -0.31614053 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.14776556 -0.11076718 0.00000000 0.00000000 0.57933067
58 0.00000000 0.00000000 0.10445558 -0.31614053 0.00000000
59 -0.11076718 0.14776556 0.00000000 0.00000000 0.46482683
60 0.00000000 0.00000000 -0.49293610 0.64557824 0.00000000
61 -1.89099579 -1.41751762 0.00000000 0.00000000 0.43967399
62 -0.63393315 0.84567903 0.00000000 0.00000000 0.15776492
63 0.00000000 0.00000000 0.80619838 0.66939470 0.00000000
64 -0.84567903 -0.63393315 0.00000000 0.00000000 0.19662819
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.84306014 -0.63196999 0.00000000 0.00000000 0.19496862
67 -1.41751762 1.89099579 0.00000000 0.00000000 0.35277308
68 0.00000000 0.00000000 0.80619838 0.66939470 0.00000000
69 -0.63196999 0.84306014 0.00000000 0.00000000 0.15643337
70 0.00000000 0.00000000 1.80835790 1.48602227 0.00000000
21 22 23 24 25
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5 -0.24016992 0.00000000 0.00000000 0.00000000 0.00000000
6 0.29933255 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8 0.91558432 0.00000000 0.00000000 0.00000000 0.00000000
9 -1.14112621 0.00000000 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11 -0.19094481 0.00000000 0.00000000 0.00000000 0.00000000
12 0.23798150 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
14 0.00000000 -0.09231975 -0.00004722 0.09185495 0.00014427
15 0.00000000 -0.00005452 0.10660166 0.00016658 -0.10606496
16 -0.06609832 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00000000 0.09231975 0.00004722 -0.09185495 -0.00014427
18 0.08238075 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
20 0.00000000 0.66145412 0.00033830 -0.66181643 -0.00103944
21 0.00000000 0.00039063 -0.76378143 -0.00120024 0.76419979
22 0.46482722 0.00000000 0.00000000 0.00000000 0.00000000
23 0.00000000 -0.66145412 -0.00033830 0.66181643 0.00103944
24 -0.57933116 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26 -0.35277278 0.00000000 0.00000000 0.00000000 0.00000000
27 0.19662802 0.00000000 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00039155 0.00000020 0.00001894 0.00000003
29 -0.15776478 0.00000000 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000023 -0.00045212 0.00000003 -0.00002187
31 -0.15643324 0.00000000 0.00000000 0.00000000 0.00000000
32 0.43967361 0.00000000 0.00000000 0.00000000 0.00000000
33 0.00000000 -0.00039155 -0.00000020 -0.00001894 -0.00000003
34 0.19496847 0.00000000 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
40 -0.24017012 0.00000000 0.00000000 0.00000000 0.00000000
41 0.29933280 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
43 0.91558510 0.00000000 0.00000000 0.00000000 0.00000000
44 -1.14112718 0.00000000 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
46 -0.19094501 0.00000000 0.00000000 0.00000000 0.00000000
47 0.23798174 0.00000000 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
49 0.00000000 -0.09231878 -0.00004722 -0.09185593 -0.00014427
50 0.00000000 -0.00005452 0.10660055 -0.00016659 0.10606609
51 0.06609826 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00000000 0.09231878 0.00004722 0.09185593 0.00014427
53 -0.08238068 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
55 0.00000000 0.66144716 0.00033830 0.66182339 0.00103945
56 0.00000000 0.00039063 -0.76377339 0.00120026 -0.76420782
57 -0.46482683 0.00000000 0.00000000 0.00000000 0.00000000
58 0.00000000 -0.66144716 -0.00033830 -0.66182339 -0.00103945
59 0.57933067 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
61 -0.35277308 0.00000000 0.00000000 0.00000000 0.00000000
62 0.19662819 0.00000000 0.00000000 0.00000000 0.00000000
63 0.00000000 -0.00039156 -0.00000020 0.00001892 0.00000003
64 -0.15776492 0.00000000 0.00000000 0.00000000 0.00000000
65 0.00000000 -0.00000023 0.00045214 0.00000003 -0.00002185
66 -0.15643337 0.00000000 0.00000000 0.00000000 0.00000000
67 0.43967399 0.00000000 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00039156 0.00000020 -0.00001892 -0.00000003
69 0.19496862 0.00000000 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26 27 28 29 30
1 0.00000000 0.00000000 0.02634563 1.25197256 1.20472055
2 0.00000000 0.00000000 -0.23522383 -0.05810334 -0.21671013
3 0.00000000 0.00000000 -0.03074923 -4.50825858 -4.09022113
4 0.00000000 0.00000000 0.29304814 0.44772716 0.28446362
5 -0.42566390 0.09113506 0.00000000 0.00000000 0.00000000
6 -0.09113506 -0.42566390 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.97420704 -0.13853173 0.01841374
8 1.63041034 -0.34907245 0.00000000 0.00000000 0.00000000
9 0.34907245 1.63041034 0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 -3.73890422 0.49366374 -0.01242585
11 -0.37009953 0.07923867 0.00000000 0.00000000 0.00000000
12 -0.07923867 -0.37009953 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 1.14760269 -0.17803986 0.00434101
14 0.00000000 0.00000000 0.05226879 0.07716688 0.09074293
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.09722668 -0.02081633 0.00000000 0.00000000 0.00000000
17 0.00000000 0.00000000 0.05226879 0.07716688 0.09074293
18 0.02081633 0.09722668 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 -0.07128327 0.09794350 0.07702280
20 0.00000000 0.00000000 -0.30048225 1.45597482 1.26444706
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.72834383 0.15593913 0.00000000 0.00000000 0.00000000
23 0.00000000 0.00000000 -0.30048225 1.45597482 1.26444706
24 -0.15593913 -0.72834383 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.80777807 1.19674001 1.38320248
26 -0.62345335 0.13348197 0.00000000 0.00000000 0.00000000
27 -0.05969495 -0.27881682 0.00000000 0.00000000 0.00000000
28 0.00000000 0.00000000 0.64244829 -0.09829853 0.01688189
29 -0.27881682 0.05969495 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -0.27463804 0.05880027 0.00000000 0.00000000 0.00000000
32 -0.13348197 -0.62345335 0.00000000 0.00000000 0.00000000
33 0.00000000 0.00000000 0.64244829 -0.09829853 0.01688189
34 -0.05880027 -0.27463804 0.00000000 0.00000000 0.00000000
35 0.00000000 0.00000000 1.39671882 -0.18922672 0.02537002
36 0.00000000 0.00000000 -0.02634563 -1.25185008 1.20484792
37 0.00000000 0.00000000 0.23522378 0.05808135 -0.21671611
38 0.00000000 0.00000000 0.03074913 4.50784250 -4.09067960
39 0.00000000 0.00000000 -0.29304813 -0.44769820 0.28450914
40 0.42566404 -0.09113509 0.00000000 0.00000000 0.00000000
41 0.09113509 0.42566404 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.97420730 -0.13853363 -0.01839962
43 -1.63041087 0.34907257 0.00000000 0.00000000 0.00000000
44 -0.34907257 -1.63041087 0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 -3.73890522 0.49366502 0.01237566
46 0.37009956 -0.07923868 0.00000000 0.00000000 0.00000000
47 0.07923868 0.37009956 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 1.14760284 -0.17804030 -0.00432295
49 0.00000000 0.00000000 -0.05226880 -0.07715764 0.09075078
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.09722678 -0.02081635 0.00000000 0.00000000 0.00000000
52 0.00000000 0.00000000 -0.05226880 -0.07715764 0.09075078
53 0.02081635 0.09722678 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.07128330 -0.09793566 0.07703275
55 0.00000000 0.00000000 0.30048238 -1.45584621 1.26459512
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.72834448 0.15593927 0.00000000 0.00000000 0.00000000
58 0.00000000 0.00000000 0.30048238 -1.45584621 1.26459512
59 -0.15593927 -0.72834448 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 -0.80777814 -1.19659929 1.38332423
61 0.62345357 -0.13348202 0.00000000 0.00000000 0.00000000
62 0.05969497 0.27881691 0.00000000 0.00000000 0.00000000
63 0.00000000 0.00000000 0.64244845 -0.09830025 -0.01687188
64 0.27881691 -0.05969497 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.27463815 -0.05880030 0.00000000 0.00000000 0.00000000
67 0.13348202 0.62345357 0.00000000 0.00000000 0.00000000
68 0.00000000 0.00000000 0.64244845 -0.09830025 -0.01687188
69 0.05880030 0.27463815 0.00000000 0.00000000 0.00000000
70 0.00000000 0.00000000 1.39671922 -0.18922932 -0.02535075
31 32 33 34 35
1 0.00000000 0.00000000 0.00000000 0.00000000 -0.01946252
2 0.00000000 0.00000000 0.00000000 0.00000000 0.01387435
3 0.00000000 0.00000000 0.00000000 0.00000000 0.12988592
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.02713745
5 2.09298503 1.93685717 -2.28882207 1.87093958 0.00000000
6 1.93685717 -2.09298503 -1.87093958 -2.28882207 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 3.07318428
8 -6.50401893 -6.01884654 7.14894588 -5.84372456 0.00000000
9 -6.01884654 6.50401893 5.84372456 7.14894588 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -9.64265030
11 0.63100402 0.58393378 -0.75588161 0.61787626 0.00000000
12 0.58393378 -0.63100402 -0.61787626 -0.75588161 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.96737027
14 0.00000000 0.00000000 0.00000000 0.00000000 -0.01182935
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 -0.00141473 -0.00130920 -0.00293840 0.00240192 0.00000000
17 0.00000000 0.00000000 0.00000000 0.00000000 -0.01182935
18 -0.00130920 0.00141473 -0.00240192 -0.00293840 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00655971
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.05007835
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.01581468 -0.01463497 -0.02104072 0.01719920 0.00000000
23 0.00000000 0.00000000 0.00000000 0.00000000 -0.05007835
24 -0.01463497 0.01581468 -0.01719920 -0.02104072 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.09296096
26 3.13818517 2.90408979 -3.43409032 2.80711007 0.00000000
27 1.29874843 -1.40343907 -1.25537779 -1.53577188 0.00000000
28 0.00000000 0.00000000 0.00000000 0.00000000 2.05868049
29 1.40343907 1.29874843 -1.53577188 1.25537779 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 1.41355517 1.30810991 -1.52205830 1.24416797 0.00000000
32 2.90408979 -3.13818517 -2.80711007 -3.43409032 0.00000000
33 0.00000000 0.00000000 0.00000000 0.00000000 2.05868049
34 1.30810991 -1.41355517 -1.24416797 -1.52205830 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 4.61585189
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.01946275
37 0.00000000 0.00000000 0.00000000 0.00000000 0.01387439
38 0.00000000 0.00000000 0.00000000 0.00000000 0.12988646
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.02713796
40 2.09297865 1.93685126 2.28882854 -1.87094486 0.00000000
41 1.93685126 -2.09297865 1.87094486 2.28882854 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 -3.07317817
43 -6.50399901 -6.01882811 -7.14896598 5.84374099 0.00000000
44 -6.01882811 6.50399901 -5.84374099 -7.14896598 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 9.64263106
46 0.63100191 0.58393183 0.75588356 -0.61787785 0.00000000
47 0.58393183 -0.63100191 0.61787785 0.75588356 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 -0.96736775
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.01182937
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00141473 0.00130919 -0.00293841 0.00240193 0.00000000
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.01182937
53 0.00130919 -0.00141473 -0.00240193 -0.00293841 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00655972
55 0.00000000 0.00000000 0.00000000 0.00000000 -0.05007833
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.01581474 0.01463503 -0.02104067 0.01719916 0.00000000
58 0.00000000 0.00000000 0.00000000 0.00000000 -0.05007833
59 0.01463503 -0.01581474 -0.01719916 -0.02104067 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.09296125
61 3.13817561 2.90408094 3.43410003 -2.80711800 0.00000000
62 1.29874448 -1.40343480 1.25538134 1.53577622 0.00000000
63 0.00000000 0.00000000 0.00000000 0.00000000 -2.05867640
64 1.40343480 1.29874448 1.53577622 -1.25538134 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 1.41355093 1.30810599 1.52206268 -1.24417155 0.00000000
67 2.90408094 -3.13817561 2.80711800 3.43410003 0.00000000
68 0.00000000 0.00000000 0.00000000 0.00000000 -2.05867640
69 1.30810599 -1.41355093 1.24417155 1.52206268 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 -4.61584288
36 37 38 39 40
1 0.04016481 0.00000000 0.00000000 0.00000000 0.00000000
2 -0.00423672 0.00000000 0.00000000 0.00000000 0.00000000
3 -0.25043957 0.00000000 0.00000000 0.00000000 0.00000000
4 0.28200685 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 -0.05474072 -0.05732390
6 0.00000000 0.00000000 0.00000000 -0.05732390 0.05474072
7 3.13514714 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 0.00000000 0.17099975 0.17906913
9 0.00000000 0.00000000 0.00000000 0.17906913 -0.17099975
10 -9.86711630 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 -0.02714066 -0.02842141
12 0.00000000 0.00000000 0.00000000 -0.02842141 0.02714066
13 1.28690613 0.00000000 0.00000000 0.00000000 0.00000000
14 0.00497733 0.00015478 -0.00000030 0.00000000 0.00000000
15 0.00000000 0.00000035 0.00017873 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 -0.00206879 -0.00216641
17 0.00497733 -0.00015478 0.00000030 0.00000000 0.00000000
18 0.00000000 0.00000000 0.00000000 -0.00216641 0.00206879
19 0.00850493 0.00000000 0.00000000 0.00000000 0.00000000
20 0.00372985 0.00044101 -0.00000086 0.00000000 0.00000000
21 0.00000000 0.00000100 0.00050924 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 -0.00097546 -0.00102149
23 0.00372985 -0.00044101 0.00000086 0.00000000 0.00000000
24 0.00000000 0.00000000 0.00000000 -0.00102149 0.00097546
25 0.15078469 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 0.00000000 0.00000000 -0.37458202 -0.39225832
27 0.00000000 0.00000000 0.00000000 -0.17542326 0.16751817
28 2.09871811 -0.61247853 0.00119962 0.00000000 0.00000000
29 0.00000000 0.00000000 0.00000000 -0.16751817 -0.17542326
30 0.00000000 -0.00138521 -0.70722929 0.00000000 0.00000000
31 0.00000000 0.00000000 0.00000000 0.50112340 0.52477112
32 0.00000000 0.00000000 0.00000000 -0.39225832 0.37458202
33 2.09871811 0.61247853 -0.00119962 0.00000000 0.00000000
34 0.00000000 0.00000000 0.00000000 0.52477112 -0.50112340
35 4.62688647 0.00000000 0.00000000 0.00000000 0.00000000
36 -0.04016467 0.00000000 0.00000000 0.00000000 0.00000000
37 0.00423668 0.00000000 0.00000000 0.00000000 0.00000000
38 0.25043933 0.00000000 0.00000000 0.00000000 0.00000000
39 -0.28200684 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 -0.05474286 -0.05732614
41 0.00000000 0.00000000 0.00000000 -0.05732614 0.05474286
42 3.13515309 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 0.00000000 0.17100648 0.17907617
44 0.00000000 0.00000000 0.00000000 0.17907617 -0.17100648
45 -9.86713501 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 -0.02714178 -0.02842258
47 0.00000000 0.00000000 0.00000000 -0.02842258 0.02714178
48 1.28690800 0.00000000 0.00000000 0.00000000 0.00000000
49 -0.00497730 0.00015498 -0.00000030 0.00000000 0.00000000
50 0.00000000 0.00000035 0.00017895 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00206890 0.00216653
52 -0.00497730 -0.00015498 0.00000030 0.00000000 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00216653 -0.00206890
54 -0.00850496 0.00000000 0.00000000 0.00000000 0.00000000
55 -0.00372978 0.00044098 -0.00000086 0.00000000 0.00000000
56 0.00000000 0.00000100 0.00050920 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00097552 0.00102156
58 -0.00372978 -0.00044098 0.00000086 0.00000000 0.00000000
59 0.00000000 0.00000000 0.00000000 0.00102156 -0.00097552
60 -0.15078454 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 0.00000000 0.00000000 -0.37457583 -0.39225184
62 0.00000000 0.00000000 0.00000000 -0.17542036 0.16751540
63 2.09872210 0.61225807 -0.00119919 0.00000000 0.00000000
64 0.00000000 0.00000000 0.00000000 -0.16751540 -0.17542036
65 0.00000000 0.00138471 0.70697473 0.00000000 0.00000000
66 0.00000000 0.00000000 0.00000000 0.50110570 0.52475259
67 0.00000000 0.00000000 0.00000000 -0.39225184 0.37457583
68 2.09872210 -0.61225807 0.00119919 0.00000000 0.00000000
69 0.00000000 0.00000000 0.00000000 0.52475259 -0.50110570
70 4.62689544 0.00000000 0.00000000 0.00000000 0.00000000
41 42 43 44 45
1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
9 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
14 -0.00058132 0.00000057 0.00000000 0.00000000 0.00000000
15 -0.00000065 -0.00067125 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00058132 -0.00000057 0.00000000 0.00000000 0.00000000
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
20 0.00014134 -0.00000014 0.00000000 0.00000000 0.00000000
21 0.00000016 0.00016321 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
23 -0.00014134 0.00000014 0.00000000 0.00000000 0.00000000
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 0.00000000 0.08042177 -0.55585658 -0.02269819
27 0.00000000 0.00000000 -0.74575985 -0.10789713 0.74583717
28 -0.61226446 0.00059550 0.00000000 0.00000000 0.00000000
29 0.00000000 0.00000000 -0.10789713 0.74575985 0.03045281
30 -0.00068762 -0.70698210 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
32 0.00000000 0.00000000 0.55585658 0.08042177 -0.55591420
33 0.61226446 -0.00059550 0.00000000 0.00000000 0.00000000
34 0.00000000 0.00000000 -0.00000000 -0.00000000 -0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 0.00000000 -0.00000000 0.00000000
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
44 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
49 0.00058127 -0.00000057 0.00000000 0.00000000 0.00000000
50 0.00000065 0.00067120 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
52 -0.00058127 0.00000057 0.00000000 0.00000000 0.00000000
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
55 -0.00014152 0.00000014 0.00000000 0.00000000 0.00000000
56 -0.00000016 -0.00016341 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
58 0.00014152 -0.00000014 0.00000000 0.00000000 0.00000000
59 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 0.00000000 0.07966760 -0.55064388 0.02291306
62 0.00000000 0.00000000 -0.73876629 -0.10688530 -0.75289766
63 -0.61248491 0.00059571 0.00000000 0.00000000 0.00000000
64 0.00000000 0.00000000 -0.10688530 0.73876629 -0.03074109
65 -0.00068787 -0.70723666 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
67 0.00000000 0.00000000 0.55064388 0.07966760 0.56117678
68 0.61248491 -0.00059571 0.00000000 0.00000000 0.00000000
69 0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
46 47 48 49 50
1 0.00000000 -0.13126373 0.00000000 0.00000000 -0.20159458
2 0.00000000 0.09553489 0.00000000 0.00000000 0.15205797
3 0.00000000 -0.10712681 0.00000000 0.00000000 -0.12307056
4 0.00000000 0.09066978 0.00000000 0.00000000 0.07137731
5 0.00000000 0.00000000 -0.07092626 0.07138406 0.00000000
6 0.00000000 0.00000000 -0.07138406 -0.07092626 0.00000000
7 0.00000000 -0.10139144 0.00000000 0.00000000 -0.30099139
8 0.00000000 0.00000000 0.22298654 -0.22442583 0.00000000
9 0.00000000 0.00000000 0.22442583 0.22298654 0.00000000
10 0.00000000 0.33928519 0.00000000 0.00000000 0.99904678
11 0.00000000 0.00000000 -0.03709027 0.03732967 0.00000000
12 0.00000000 0.00000000 -0.03732967 -0.03709027 0.00000000
13 0.00000000 -0.05713194 0.00000000 0.00000000 -0.22293921
14 0.00000000 0.00363831 0.00000000 0.00000000 0.01318472
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 -0.00407455 0.00410085 0.00000000
17 0.00000000 0.00363831 0.00000000 0.00000000 0.01318472
18 0.00000000 0.00000000 -0.00410085 -0.00407455 0.00000000
19 0.00000000 -0.00942912 0.00000000 0.00000000 -0.03649694
20 0.00000000 0.03911869 0.00000000 0.00000000 0.06706277
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.00161625 0.00162668 0.00000000
23 0.00000000 0.03911869 0.00000000 0.00000000 0.06706277
24 0.00000000 0.00000000 -0.00162668 -0.00161625 0.00000000
25 0.00000000 0.03869732 0.00000000 0.00000000 0.02868336
26 0.55591420 0.00000000 0.20703523 -0.20837156 0.00000000
27 0.03045281 0.00000000 0.09318659 0.09258897 0.00000000
28 0.00000000 -0.54153665 0.00000000 0.00000000 0.28280426
29 -0.74583717 0.00000000 0.09258897 -0.09318659 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.58979719 0.59360411 0.00000000
32 -0.02269819 0.00000000 0.20837156 0.20703523 0.00000000
33 0.00000000 -0.54153665 0.00000000 0.00000000 0.28280426
34 0.00000000 0.00000000 -0.59360411 -0.58979719 0.00000000
35 0.00000000 0.55780369 0.00000000 0.00000000 -1.13532659
36 0.00000000 -0.13126440 0.00000000 0.00000000 0.20159411
37 0.00000000 0.09553541 0.00000000 0.00000000 -0.15205764
38 0.00000000 -0.10712726 0.00000000 0.00000000 0.12307022
39 0.00000000 0.09067001 0.00000000 0.00000000 -0.07137700
40 0.00000000 0.00000000 0.07092456 -0.07138235 0.00000000
41 0.00000000 0.00000000 0.07138235 0.07092456 0.00000000
42 0.00000000 0.10139251 0.00000000 0.00000000 -0.30099106
43 0.00000000 0.00000000 -0.22298123 0.22442049 0.00000000
44 0.00000000 0.00000000 -0.22442049 -0.22298123 0.00000000
45 0.00000000 -0.33928874 0.00000000 0.00000000 0.99904568
46 0.00000000 0.00000000 0.03708942 -0.03732882 0.00000000
47 0.00000000 0.00000000 0.03732882 0.03708942 0.00000000
48 0.00000000 0.05713273 0.00000000 0.00000000 -0.22293902
49 0.00000000 0.00363834 0.00000000 0.00000000 -0.01318472
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 -0.00407450 0.00410080 0.00000000
52 0.00000000 0.00363834 0.00000000 0.00000000 -0.01318472
53 0.00000000 0.00000000 -0.00410080 -0.00407450 0.00000000
54 0.00000000 -0.00942922 0.00000000 0.00000000 0.03649693
55 0.00000000 0.03911894 0.00000000 0.00000000 -0.06706263
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.00161620 0.00162663 0.00000000
58 0.00000000 0.03911894 0.00000000 0.00000000 -0.06706263
59 0.00000000 0.00000000 -0.00162663 -0.00161620 0.00000000
60 0.00000000 0.03869740 0.00000000 0.00000000 -0.02868325
61 -0.56117678 0.00000000 -0.20704691 0.20838332 0.00000000
62 -0.03074109 0.00000000 -0.09319185 -0.09259419 0.00000000
63 0.00000000 0.54153573 0.00000000 0.00000000 0.28280609
64 0.75289766 0.00000000 -0.09259419 0.09319185 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 -0.00000000 0.00000000 0.58981285 -0.59361987 0.00000000
67 0.02291306 0.00000000 -0.20838332 -0.20704691 0.00000000
68 0.00000000 0.54153573 0.00000000 0.00000000 0.28280609
69 0.00000000 0.00000000 0.59361987 0.58981285 0.00000000
70 0.00000000 -0.55779977 0.00000000 0.00000000 -1.13532849
51 52 53 54 55
1 -0.30381313 0.00000000 0.00000000 0.00000000 0.00000000
2 0.15473606 0.00000000 0.00000000 0.00000000 0.00000000
3 -0.01716780 0.00000000 0.00000000 0.00000000 0.00000000
4 0.14195016 0.00000000 0.00000000 0.00000000 0.00000000
5 0.00000000 -0.01042905 -0.05778392 0.00000000 0.00000000
6 0.00000000 -0.05778392 0.01042905 0.00000000 0.00000000
7 -0.04663226 0.00000000 0.00000000 0.00000000 0.00000000
8 0.00000000 0.02778066 0.15392354 0.00000000 0.00000000
9 0.00000000 0.15392354 -0.02778066 0.00000000 0.00000000
10 0.23103453 0.00000000 0.00000000 0.00000000 0.00000000
11 0.00000000 -0.00684613 -0.03793217 0.00000000 0.00000000
12 0.00000000 -0.03793217 0.00684613 0.00000000 0.00000000
13 -0.05422126 0.00000000 0.00000000 0.00000000 0.00000000
14 0.43269718 0.00000000 0.00000000 -0.00410877 0.74898631
15 0.00000000 0.00000000 0.00000000 -0.86485489 -0.00474440
16 0.00000000 -0.15322739 -0.84898267 0.00000000 0.00000000
17 0.43269718 0.00000000 0.00000000 0.00410877 -0.74898631
18 0.00000000 -0.84898267 0.15322739 0.00000000 0.00000000
19 -0.85574604 0.00000000 0.00000000 0.00000000 0.00000000
20 -0.17269404 0.00000000 0.00000000 0.00198942 -0.36265014
21 0.00000000 0.00000000 0.00000000 0.41875231 0.00229718
22 0.00000000 0.07319025 0.40552314 0.00000000 0.00000000
23 -0.17269404 0.00000000 0.00000000 -0.00198942 0.36265014
24 0.00000000 0.40552314 -0.07319025 0.00000000 0.00000000
25 0.43031409 0.00000000 0.00000000 0.00000000 0.00000000
26 0.00000000 -0.00991742 -0.05494916 0.00000000 0.00000000
27 0.00000000 -0.02457401 0.00443520 0.00000000 0.00000000
28 -0.04164614 0.00000000 0.00000000 -0.00000140 0.00025591
29 0.00000000 -0.00443520 -0.02457401 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 -0.00029550 -0.00000162
31 0.00000000 -0.00530342 -0.02938453 0.00000000 0.00000000
32 0.00000000 -0.05494916 0.00991742 0.00000000 0.00000000
33 -0.04164614 0.00000000 0.00000000 0.00000140 -0.00025591
34 0.00000000 -0.02938453 0.00530342 0.00000000 0.00000000
35 -0.11557991 0.00000000 0.00000000 0.00000000 0.00000000
36 -0.30381346 0.00000000 0.00000000 0.00000000 0.00000000
37 0.15473622 0.00000000 0.00000000 0.00000000 0.00000000
38 -0.01716776 0.00000000 0.00000000 0.00000000 0.00000000
39 0.14195023 0.00000000 0.00000000 0.00000000 0.00000000
40 0.00000000 -0.01042907 -0.05778406 0.00000000 0.00000000
41 0.00000000 -0.05778406 0.01042907 0.00000000 0.00000000
42 0.04663239 0.00000000 0.00000000 0.00000000 0.00000000
43 0.00000000 0.02778072 0.15392387 0.00000000 0.00000000
44 0.00000000 0.15392387 -0.02778072 0.00000000 0.00000000
45 -0.23103489 0.00000000 0.00000000 0.00000000 0.00000000
46 0.00000000 -0.00684615 -0.03793228 0.00000000 0.00000000
47 0.00000000 -0.03793228 0.00684615 0.00000000 0.00000000
48 0.05422142 0.00000000 0.00000000 0.00000000 0.00000000
49 0.43269695 0.00000000 0.00000000 -0.00410865 0.74896517
50 0.00000000 0.00000000 0.00000000 -0.86483049 -0.00474427
51 0.00000000 0.15322702 0.84898063 0.00000000 0.00000000
52 0.43269695 0.00000000 0.00000000 0.00410865 -0.74896517
53 0.00000000 0.84898063 -0.15322702 0.00000000 0.00000000
54 -0.85574558 0.00000000 0.00000000 0.00000000 0.00000000
55 -0.17269388 0.00000000 0.00000000 0.00198936 -0.36263987
56 0.00000000 0.00000000 0.00000000 0.41874045 0.00229712
57 0.00000000 -0.07319006 -0.40552213 0.00000000 0.00000000
58 -0.17269388 0.00000000 0.00000000 -0.00198936 0.36263987
59 0.00000000 -0.40552213 0.07319006 0.00000000 0.00000000
60 0.43031385 0.00000000 0.00000000 0.00000000 0.00000000
61 0.00000000 -0.00991744 -0.05494926 0.00000000 0.00000000
62 0.00000000 -0.02457405 0.00443521 0.00000000 0.00000000
63 0.04164619 0.00000000 0.00000000 0.00000140 -0.00025591
64 0.00000000 -0.00443521 -0.02457405 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00029550 0.00000162
66 0.00000000 -0.00530343 -0.02938457 0.00000000 0.00000000
67 0.00000000 -0.05494926 0.00991744 0.00000000 0.00000000
68 0.04164619 0.00000000 0.00000000 -0.00000140 0.00025591
69 0.00000000 -0.02938457 0.00530343 0.00000000 0.00000000
70 0.11558003 0.00000000 0.00000000 0.00000000 0.00000000
56 57 58 59 60
1 0.00000000 0.00000000 0.00000000 0.00000000 0.86579818
2 0.00000000 0.00000000 0.00000000 0.00000000 -0.38117026
3 0.00000000 0.00000000 0.00000000 0.00000000 -0.24909368
4 0.00000000 0.00000000 0.00000000 0.00000000 -0.20017012
5 0.00000000 0.00000000 -0.06035678 -0.05120066 0.00000000
6 0.00000000 0.00000000 0.05120066 -0.06035678 0.00000000
7 0.00000000 0.00000000 0.00000000 0.00000000 0.35846913
8 0.00000000 0.00000000 0.15882625 0.13473230 0.00000000
9 0.00000000 0.00000000 -0.13473230 0.15882625 0.00000000
10 0.00000000 0.00000000 0.00000000 0.00000000 -1.12706192
11 0.00000000 0.00000000 -0.04022429 -0.03412226 0.00000000
12 0.00000000 0.00000000 0.03412226 -0.04022429 0.00000000
13 0.00000000 0.00000000 0.00000000 0.00000000 0.34244249
14 0.00370833 0.74933444 0.00000000 0.00000000 0.43956716
15 0.86525688 -0.00428201 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 0.66187122 0.56146532 0.00000000
17 -0.00370833 -0.74933444 0.00000000 0.00000000 0.43956716
18 0.00000000 0.00000000 -0.56146532 0.66187122 0.00000000
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.88688435
20 -0.00180092 -0.36390771 0.00000000 0.00000000 -0.27922126
21 -0.42020442 0.00207952 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 -0.32801069 -0.27825145 0.00000000
23 0.00180092 0.36390771 0.00000000 0.00000000 -0.27922126
24 0.00000000 0.00000000 0.27825145 -0.32801069 0.00000000
25 0.00000000 0.00000000 0.00000000 0.00000000 0.47153681
26 0.00000000 0.00000000 -0.05553237 -0.04710811 0.00000000
27 0.00000000 0.00000000 0.02106739 -0.02483483 0.00000000
28 -0.00000276 -0.00055853 0.00000000 0.00000000 0.16918863
29 0.00000000 0.00000000 -0.02483483 -0.02106739 0.00000000
30 -0.00064494 0.00000319 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -0.03129404 -0.02654673 0.00000000
32 0.00000000 0.00000000 0.04710811 -0.05553237 0.00000000
33 0.00000276 0.00055853 0.00000000 0.00000000 0.16918863
34 0.00000000 0.00000000 0.02654673 -0.03129404 0.00000000
35 0.00000000 0.00000000 0.00000000 0.00000000 0.47531601
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.86579787
37 0.00000000 0.00000000 0.00000000 0.00000000 0.38117014
38 0.00000000 0.00000000 0.00000000 0.00000000 0.24909358
39 0.00000000 0.00000000 0.00000000 0.00000000 0.20017000
40 0.00000000 0.00000000 0.06035672 0.05120060 0.00000000
41 0.00000000 0.00000000 -0.05120060 0.06035672 0.00000000
42 0.00000000 0.00000000 0.00000000 0.00000000 0.35846918
43 0.00000000 0.00000000 -0.15882615 -0.13473221 0.00000000
44 0.00000000 0.00000000 0.13473221 -0.15882615 0.00000000
45 0.00000000 0.00000000 0.00000000 0.00000000 -1.12706210
46 0.00000000 0.00000000 0.04022423 0.03412221 0.00000000
47 0.00000000 0.00000000 -0.03412221 0.04022423 0.00000000
48 0.00000000 0.00000000 0.00000000 0.00000000 0.34244249
49 -0.00370844 -0.74935556 0.00000000 0.00000000 -0.43956739
50 -0.86528127 0.00428213 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.66187280 0.56146666 0.00000000
52 0.00370844 0.74935556 0.00000000 0.00000000 -0.43956739
53 0.00000000 0.00000000 -0.56146666 0.66187280 0.00000000
54 0.00000000 0.00000000 0.00000000 0.00000000 0.88688478
55 0.00180097 0.36391793 0.00000000 0.00000000 0.27922136
56 0.42021623 -0.00207958 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.32801144 -0.27825209 0.00000000
58 -0.00180097 -0.36391793 0.00000000 0.00000000 0.27922136
59 0.00000000 0.00000000 0.27825209 -0.32801144 0.00000000
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.47153702
61 0.00000000 0.00000000 0.05553236 0.04710810 0.00000000
62 0.00000000 0.00000000 -0.02106738 0.02483483 0.00000000
63 -0.00000276 -0.00055853 0.00000000 0.00000000 0.16918867
64 0.00000000 0.00000000 0.02483483 0.02106738 0.00000000
65 -0.00064494 0.00000319 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 0.03129404 0.02654673 0.00000000
67 0.00000000 0.00000000 -0.04710810 0.05553236 0.00000000
68 0.00000276 0.00055853 0.00000000 0.00000000 0.16918867
69 0.00000000 0.00000000 -0.02654673 0.03129404 0.00000000
70 0.00000000 0.00000000 0.00000000 0.00000000 0.47531612
61 62 63 64 65
1 -8.49813265 -10.20491623 -0.00000000 0.00000000 0.00000000
2 1.90542352 2.21186270 0.00000000 0.00000000 0.00000000
3 5.59258511 6.87309741 0.00000000 0.00000000 0.00000000
4 2.27433603 2.65878800 0.00000000 0.00000000 0.00000000
5 0.00000000 0.00000000 -0.65993065 0.66951596 0.74241775
6 0.00000000 0.00000000 -0.66951596 -0.65993065 0.66839382
7 -0.55022234 0.18626669 0.00000000 0.00000000 0.00000000
8 0.00000000 0.00000000 4.43314264 -4.49753281 -4.84781512
9 0.00000000 0.00000000 4.49753281 4.43314264 -4.36445607
10 3.67816796 -1.17544882 0.00000000 0.00000000 0.00000000
11 0.00000000 0.00000000 -0.31722464 0.32183224 0.37604076
12 0.00000000 0.00000000 -0.32183224 -0.31722464 0.33854702
13 -0.27529762 0.14561568 0.00000000 0.00000000 0.00000000
14 0.33091759 0.45899937 0.00000000 0.00000000 0.00000000
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.00000000 0.00000000 -0.01115759 0.01131965 -0.01605875
17 0.33091759 0.45899937 0.00000000 0.00000000 0.00000000
18 0.00000000 0.00000000 -0.01131965 -0.01115759 -0.01445758
19 0.37885191 0.35168702 0.00000000 0.00000000 0.00000000
20 -0.53269155 -0.72538336 0.00000000 0.00000000 0.00000000
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 0.00000000 0.00000000 0.01071033 -0.01086590 0.01500445
23 -0.53269155 -0.72538336 0.00000000 0.00000000 0.00000000
24 0.00000000 0.00000000 0.01086590 0.01071033 0.01350840
25 -0.57264784 -0.61703823 0.00000000 0.00000000 0.00000000
26 0.00000000 0.00000000 -2.49608575 2.53234070 2.70306258
27 0.00000000 0.00000000 -1.13249719 -1.11628348 1.08831640
28 -0.91690385 0.27164599 0.00000000 0.00000000 0.00000000
29 0.00000000 0.00000000 -1.11628348 1.13249719 1.20884633
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 0.00000000 0.00000000 -1.11138086 1.12752336 1.21512791
32 0.00000000 0.00000000 -2.53234070 -2.49608575 2.43354946
33 -0.91690385 0.27164599 0.00000000 0.00000000 0.00000000
34 0.00000000 0.00000000 -1.12752336 -1.11138086 1.09397167
35 -2.06694317 0.65560081 0.00000000 0.00000000 0.00000000
36 -8.49802066 10.20499562 0.00000000 0.00000000 0.00000000
37 1.90539923 -2.21188053 0.00000000 0.00000000 0.00000000
38 5.59250958 -6.87314959 0.00000000 0.00000000 0.00000000
39 2.27430699 -2.65880927 0.00000000 0.00000000 0.00000000
40 0.00000000 0.00000000 -0.65992473 0.66950995 -0.74242363
41 0.00000000 0.00000000 -0.66950995 -0.65992473 -0.66839911
42 0.55022324 0.18625887 0.00000000 0.00000000 0.00000000
43 0.00000000 0.00000000 4.43310399 -4.49749360 4.84785463
44 0.00000000 0.00000000 4.49749360 4.43310399 4.36449164
45 -3.67817381 -1.17539751 0.00000000 0.00000000 0.00000000
46 0.00000000 0.00000000 -0.31722164 0.32182920 -0.37604359
47 0.00000000 0.00000000 -0.32182920 -0.31722164 -0.33854957
48 0.27529855 0.14561184 0.00000000 0.00000000 0.00000000
49 0.33091259 -0.45900243 0.00000000 0.00000000 0.00000000
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.00000000 0.00000000 0.01115773 -0.01131979 -0.01605864
52 0.33091259 -0.45900243 0.00000000 0.00000000 0.00000000
53 0.00000000 0.00000000 0.01131979 0.01115773 -0.01445749
54 0.37884801 -0.35169057 0.00000000 0.00000000 0.00000000
55 -0.53268360 0.72538830 0.00000000 0.00000000 0.00000000
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 0.00000000 0.00000000 -0.01071046 0.01086603 0.01500435
58 -0.53268360 0.72538830 0.00000000 0.00000000 0.00000000
59 0.00000000 0.00000000 -0.01086603 -0.01071046 0.01350831
60 -0.57264098 0.61704353 0.00000000 0.00000000 0.00000000
61 0.00000000 0.00000000 -2.49606421 2.53231885 -2.70308483
62 0.00000000 0.00000000 -1.13248742 -1.11627385 -1.08832536
63 0.91690511 0.27163321 0.00000000 0.00000000 0.00000000
64 0.00000000 0.00000000 -1.11627385 1.13248742 -1.20885628
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 0.00000000 0.00000000 -1.11137118 1.12751354 -1.21513782
67 0.00000000 0.00000000 -2.53231885 -2.49606421 -2.43356949
68 0.91690511 0.27163321 0.00000000 0.00000000 0.00000000
69 0.00000000 0.00000000 -1.12751354 -1.11137118 -1.09398059
70 2.06694648 0.65557211 0.00000000 0.00000000 0.00000000
66 67 68 69 70
1 0.00000000 6.01584479 1.84770864 54.40519844 -54.57347714
2 0.00000000 -1.34001549 -0.40432615 -26.38026537 26.34887122
3 0.00000000 -3.97785836 -1.31224754 -32.02046871 32.40860065
4 0.00000000 -1.60000939 -0.35043703 -15.35984950 15.20137428
5 -0.66839382 0.00000000 0.00000000 0.00000000 0.00000000
6 0.74241775 0.00000000 0.00000000 0.00000000 0.00000000
7 0.00000000 -0.90484931 1.12689930 -0.11916677 -0.04616055
8 4.36445607 0.00000000 0.00000000 0.00000000 0.00000000
9 -4.84781512 0.00000000 0.00000000 0.00000000 0.00000000
10 0.00000000 5.62991885 -6.92719616 0.41994422 0.15411600
11 -0.33854702 0.00000000 0.00000000 0.00000000 0.00000000
12 0.37604076 0.00000000 0.00000000 0.00000000 0.00000000
13 0.00000000 -0.41900379 0.65054887 -0.02203217 0.02481711
14 0.00000000 -0.24728046 -0.05320952 3.52607776 -3.51368535
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
16 0.01445758 0.00000000 0.00000000 0.00000000 0.00000000
17 0.00000000 -0.24728046 -0.05320952 3.52607776 -3.51368535
18 -0.01605875 0.00000000 0.00000000 0.00000000 0.00000000
19 0.00000000 -0.25610285 -0.11180586 3.49833683 -3.55875230
20 0.00000000 0.39235691 0.11117501 3.26511122 -3.37373230
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22 -0.01350840 0.00000000 0.00000000 0.00000000 0.00000000
23 0.00000000 0.39235691 0.11117501 3.26511122 -3.37373230
24 0.01500445 0.00000000 0.00000000 0.00000000 0.00000000
25 0.00000000 0.42596483 0.18498168 3.34051379 -3.27337947
26 -2.43354946 0.00000000 0.00000000 0.00000000 0.00000000
27 1.20884633 0.00000000 0.00000000 0.00000000 0.00000000
28 0.00000000 -1.39987467 1.69284283 -0.09643397 -0.04671024
29 -1.08831640 0.00000000 0.00000000 0.00000000 0.00000000
30 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
31 -1.09397167 0.00000000 0.00000000 0.00000000 0.00000000
32 2.70306258 0.00000000 0.00000000 0.00000000 0.00000000
33 0.00000000 -1.39987467 1.69284283 -0.09643397 -0.04671024
34 1.21512791 0.00000000 0.00000000 0.00000000 0.00000000
35 0.00000000 -3.10343805 3.81201129 -0.18233054 -0.06247662
36 0.00000000 6.01586849 -1.84770839 54.40515967 54.57351579
37 0.00000000 -1.34002067 0.40432607 -26.38024665 -26.34888996
38 0.00000000 -3.97787441 1.31224732 -32.02044568 -32.40862339
39 0.00000000 -1.60001538 0.35043699 -15.35983870 -15.20138519
40 0.66839911 0.00000000 0.00000000 0.00000000 0.00000000
41 -0.74242363 0.00000000 0.00000000 0.00000000 0.00000000
42 0.00000000 0.90484805 1.12690112 0.11916680 -0.04616047
43 -4.36449164 0.00000000 0.00000000 0.00000000 0.00000000
44 4.84785463 0.00000000 0.00000000 0.00000000 0.00000000
45 0.00000000 -5.62991132 -6.92720774 -0.41994430 0.15411572
46 0.33854957 0.00000000 0.00000000 0.00000000 0.00000000
47 -0.37604359 0.00000000 0.00000000 0.00000000 0.00000000
48 0.00000000 0.41900315 0.65054973 0.02203215 0.02481712
49 0.00000000 -0.24728146 0.05320951 3.52607526 3.51368785
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51 0.01445749 0.00000000 0.00000000 0.00000000 0.00000000
52 0.00000000 -0.24728146 0.05320951 3.52607526 3.51368785
53 -0.01605864 0.00000000 0.00000000 0.00000000 0.00000000
54 0.00000000 -0.25610375 0.11180587 3.49833431 3.55875479
55 0.00000000 0.39235856 -0.11117496 3.26510883 3.37373462
56 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
57 -0.01350831 0.00000000 0.00000000 0.00000000 0.00000000
58 0.00000000 0.39235856 -0.11117496 3.26510883 3.37373462
59 0.01500435 0.00000000 0.00000000 0.00000000 0.00000000
60 0.00000000 0.42596638 -0.18498162 3.34051146 3.27338184
61 2.43356949 0.00000000 0.00000000 0.00000000 0.00000000
62 -1.20885628 0.00000000 0.00000000 0.00000000 0.00000000
63 0.00000000 1.39987280 1.69284571 0.09643399 -0.04671017
64 1.08832536 0.00000000 0.00000000 0.00000000 0.00000000
65 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
66 1.09398059 0.00000000 0.00000000 0.00000000 0.00000000
67 -2.70308483 0.00000000 0.00000000 0.00000000 0.00000000
68 0.00000000 1.39987280 1.69284571 0.09643399 -0.04671017
69 -1.21513782 0.00000000 0.00000000 0.00000000 0.00000000
70 0.00000000 3.10343394 3.81201771 0.18233057 -0.06247651
---------------------------------------
UHF spin-up orbital energies
---------------------------------------
1
1 -0.52980078
2 -0.47132671
3 0.24442688
4 0.25832798
5 0.40908823
6 0.43512495
7 0.43512495
8 0.52527826
9 0.52527826
10 0.72601923
11 1.07871942
12 1.17318355
13 1.78989537
14 1.78989537
15 1.84670051
16 1.84874635
17 1.84874635
18 1.91943779
19 1.99135672
20 2.03675791
21 2.03675791
22 2.06411335
23 2.06411335
24 2.07287684
25 2.07287684
26 2.14048962
27 2.14048962
28 2.49884845
29 3.08835108
30 3.08940329
31 4.41917934
32 4.41917934
33 4.45915280
34 4.45915280
35 4.50735789
36 4.56744521
37 6.05587968
38 6.05587968
39 6.05588236
40 6.05588236
41 6.05625627
42 6.05625627
43 6.05633760
44 6.05633760
45 6.05635166
46 6.05635166
47 6.05930531
48 6.06017470
49 6.06017470
50 6.09592954
51 8.05436605
52 8.09446907
53 8.09446907
54 8.12010397
55 8.12010397
56 8.12576055
57 8.12576055
58 8.16198304
59 8.16198304
60 8.37739553
61 9.64808312
62 9.65703922
63 9.69695167
64 9.69695167
65 9.71619828
66 9.71619828
67 9.72347426
68 9.80123982
69 22.50043963
70 22.68564983
---------------------------------------
UHF spin-down orbital energies
---------------------------------------
1
1 0.02203540
2 0.08849197
3 0.34719081
4 0.36580886
5 0.49623326
6 0.50116337
7 0.50116337
8 0.59325430
9 0.59325430
10 0.79039568
11 1.18184001
12 1.26352613
13 1.86078685
14 1.86078685
15 1.91291138
16 1.91569250
17 1.91569250
18 1.98530536
19 2.04149298
20 2.08304497
21 2.08304497
22 2.10928374
23 2.10928374
24 2.11795495
25 2.11795495
26 2.18612323
27 2.18612323
28 2.54422813
29 3.16330275
30 3.16449814
31 4.46818111
32 4.46818111
33 4.50743647
34 4.50743647
35 4.55402070
36 4.61504066
37 6.08789907
38 6.08789907
39 6.08797896
40 6.08797896
41 6.08824666
42 6.08824666
43 6.08834444
44 6.08834444
45 6.08835749
46 6.08835749
47 6.09145958
48 6.09211027
49 6.09211027
50 6.12770355
51 8.09959892
52 8.13938047
53 8.13938047
54 8.16477225
55 8.16477225
56 8.17037382
57 8.17037382
58 8.20632353
59 8.20632353
60 8.42037065
61 9.70552991
62 9.71894600
63 9.74057977
64 9.74057977
65 9.75959438
66 9.75959438
67 9.77188203
68 9.84427847
69 22.51270912
70 22.69795123
Total CPU time for UHF = 1.193 seconds
AO to MO transformation... Please be patient
Total CPU time for AO to MO transformation = 14.647 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 | 0.733602 | 19.962321 |
| 2 | 0.744164 | 20.249743 |
| 3 | 0.807053 | 21.961037 |
| 4 | 0.812728 | 22.115454 |
| 5 | 0.912554 | 24.831847 |
| 6 | 0.928268 | 25.259461 |
| 7 | 0.928268 | 25.259461 |
| 8 | 0.978400 | 26.623627 |
| 9 | 0.978400 | 26.623627 |
| 10 | 0.979856 | 26.663240 |
| 11 | 1.055592 | 28.724120 |
| 12 | 1.055592 | 28.724120 |
| 13 | 1.089113 | 29.636262 |
| 14 | 1.089113 | 29.636262 |
| 15 | 1.236253 | 33.640170 |
| 16 | 1.284481 | 34.952505 |
| 17 | 1.585371 | 43.140143 |
| 18 | 1.624274 | 44.198754 |
| 19 | 1.706888 | 46.446789 |
| 20 | 1.746871 | 47.534789 |
-------------------------------------------------------------
*** 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| -14.416614 0.599614| 0.080943 -0.810459| 0.962599 0.981270| -14.338698 -0.195665|
| 2| -12.825453 2.407989| 0.007633 -0.811599| 0.964409 0.980963| -12.818092 1.611841|
| 3| 6.651194 9.447543| -0.158323 -0.874831| 0.994069 0.973220| 6.493810 8.596140|
| 4| 7.029462 9.954166| -0.135810 -1.028926| 0.994877 0.968305| 6.894348 8.957852|
| 5| 11.131858 13.503195| -0.381092 -0.772662| 0.987287 0.972319| 10.755611 12.751920|
| 6| 11.840353 13.637350| -0.298651 -0.573941| 0.990200 0.979382| 11.544629 13.075242|
| 7| 11.840353 13.637350| -0.298651 -0.573941| 0.990200 0.979382| 11.544629 13.075242|
| 8| 14.293549 16.143272| -0.337157 -0.644039| 0.989038 0.974369| 13.960089 15.515741|
| 9| 14.293549 16.143272| -0.337157 -0.644039| 0.989038 0.974369| 13.960089 15.515741|
| 10| 19.755990 21.507762| -0.456616 -0.866476| 0.983196 0.902822| 19.307046 20.725488|
| 11| 29.353451 32.159505| 0.423068 3.065278| 0.205698 0.051049| 29.440475 32.315984|
| 12| 31.923950 34.382297| -0.552514 -0.166095| 0.656164 0.217905| 31.561411 34.346105|
| 13| 48.705534 50.634589| -0.847860 -1.022881| 0.843556 0.797001| 47.990317 49.819352|
| 14| 48.705534 50.634589| -0.847860 -1.022881| 0.843556 0.797001| 47.990317 49.819352|
| 15| 50.251280 52.052970| -0.862949 -1.134382| 0.858870 0.605073| 49.510119 51.366586|
| 16| 50.306951 52.128648| -0.826639 -0.999050| 0.909456 0.889623| 49.555159 51.239870|
| 17| 50.306951 52.128648| -0.826639 -0.999050| 0.909456 0.889623| 49.555159 51.239870|
| 18| 52.230563 54.022910| -0.748448 -1.039080| 0.804567 0.434270| 51.628386 53.571669|
| 19| 54.187576 55.551853| -0.711646 -1.388704| 0.219628 0.448741| 54.031279 54.928686|
| 20| 55.423006 56.682541| -0.470451 -0.556333| 0.904253 0.908826| 54.997599 56.176931|
| 21| 55.423006 56.682541| -0.470451 -0.556333| 0.904253 0.908826| 54.997599 56.176931|
| 22| 56.167385 57.396534| -0.570940 -0.671025| 0.954001 0.949084| 55.622707 56.759675|
| 23| 56.167385 57.396534| -0.570940 -0.671025| 0.954001 0.949084| 55.622707 56.759675|
| 24| 56.405852 57.632490| -0.571440 -0.671518| 0.952819 0.947753| 55.861373 56.996057|
| 25| 56.405852 57.632490| -0.571440 -0.671518| 0.952819 0.947753| 55.861373 56.996057|
| 26| 58.245689 59.487443| -0.731092 -0.805170| 0.823191 0.906721| 57.643861 58.757379|
| 27| 58.245689 59.487443| -0.731092 -0.805170| 0.823191 0.906721| 57.643861 58.757379|
| 28| 67.997130 69.231974| -1.232865 -1.334747| 0.811494 0.563234| 66.996668 68.480199|
| 29| 84.038313 86.077852| -1.149535 0.276089| 0.221481 0.345384| 83.783713 86.173209|
| 30| 84.066946 86.110380| 0.912085 -0.616362| 0.188586 0.480972| 84.238952 85.813927|
| 31| 120.251995 121.585401| -0.565553 -0.657017| 0.806709 0.862603| 119.795758 121.018656|
| 32| 120.251995 121.585401| -0.565553 -0.657017| 0.806709 0.862603| 119.795758 121.018656|
| 33| 121.339728 122.653594| -0.672264 -0.730360| 0.822027 0.782117| 120.787109 122.082367|
| 34| 121.339728 122.653594| -0.672264 -0.730360| 0.822027 0.782117| 120.787109 122.082367|
| 35| 122.651455 123.921215| -0.426924 -0.421303| 0.833265 0.745451| 122.295714 123.607155|
| 36| 124.286515 125.581653| -0.536885 -0.567866| 0.688481 0.641644| 123.916880 125.217285|
| 37| 164.788880 165.660172| -0.774427 -0.813237| 0.959465 0.957266| 164.045844 164.881687|
| 38| 164.788880 165.660172| -0.774427 -0.813237| 0.959465 0.957266| 164.045844 164.881687|
| 39| 164.788953 165.662345| -0.747099 -0.813956| 0.906472 0.865837| 164.111728 164.957592|
| 40| 164.788953 165.662345| -0.747099 -0.813956| 0.906472 0.865837| 164.111728 164.957592|
| 41| 164.799127 165.669630| -0.775083 -0.813832| 0.959426 0.957235| 164.055493 164.890601|
| 42| 164.799127 165.669630| -0.775083 -0.813832| 0.959426 0.957235| 164.055493 164.890601|
| 43| 164.801340 165.672291| -0.774954 -0.814123| 0.959998 0.957822| 164.057386 164.892506|
| 44| 164.801340 165.672291| -0.774954 -0.814123| 0.959998 0.957822| 164.057386 164.892506|
| 45| 164.801723 165.672646| -0.774922 -0.814088| 0.959995 0.957820| 164.057802 164.892896|
| 46| 164.801723 165.672646| -0.774922 -0.814088| 0.959995 0.957820| 164.057802 164.892896|
| 47| 164.882096 165.757058| -0.724719 -0.756890| 0.950738 0.953704| 164.193077 165.035209|
| 48| 164.905753 165.774764| -0.759545 -0.796187| 0.955777 0.953724| 164.179797 165.015421|
| 49| 164.905753 165.774764| -0.759545 -0.796187| 0.955777 0.953724| 164.179797 165.015421|
| 50| 165.878692 166.743307| -0.735140 -0.849549| 0.795027 0.903844| 165.294235 165.975447|
| 51| 219.170464 220.401313| -1.796213 -1.874039| 0.890663 0.886614| 217.570643 218.739763|
| 52| 220.261723 221.483824| -2.036625 -2.138098| 0.817237 0.836156| 218.597318 219.696041|
| 53| 220.261723 221.483824| -2.036625 -2.138098| 0.817237 0.836156| 218.597318 219.696041|
| 54| 220.959284 222.174770| -2.205821 -2.301749| 0.868273 0.861408| 219.044029 220.192025|
| 55| 220.959284 222.174770| -2.205821 -2.301749| 0.868273 0.861408| 219.044029 220.192025|
| 56| 221.113207 222.327196| -2.226507 -2.323476| 0.865758 0.858683| 219.185592 220.332067|
| 57| 221.113207 222.327196| -2.226507 -2.323476| 0.865758 0.858683| 219.185592 220.332067|
| 58| 222.098871 223.305437| -2.275711 -2.370607| 0.846274 0.828576| 220.172997 221.341209|
| 59| 222.098871 223.305437| -2.275711 -2.370607| 0.846274 0.828576| 220.172997 221.341209|
| 60| 227.960544 229.129956| -3.317385 -3.636853| 0.385514 0.401107| 226.681647 227.671188|
| 61| 262.537714 264.100921| -2.459708 -2.459266| 0.824542 0.827394| 260.509580 262.066140|
| 62| 262.781422 264.465991| -2.290839 -2.691318| 0.359113 0.662706| 261.958753 262.682438|
| 63| 263.867495 265.054676| -1.684273 -1.750905| 0.910158 0.913446| 262.334541 263.455319|
| 64| 263.867495 265.054676| -1.684273 -1.750905| 0.910158 0.913446| 262.334541 263.455319|
| 65| 264.391222 265.572090| -1.721792 -1.771500| 0.871558 0.835507| 262.890581 264.091988|
| 66| 264.391222 265.572090| -1.721792 -1.771500| 0.871558 0.835507| 262.890581 264.091988|
| 67| 264.589212 265.906454| -1.889570 -2.107425| 0.843637 0.825275| 262.995100 264.167248|
| 68| 266.705320 267.876462| -1.816669 -1.903826| 0.915993 0.902073| 265.041263 266.159073|
| 69| 612.268148 612.602018| -0.938507 -0.942123| 0.968786 0.968549| 611.358936 611.689526|
| 70| 617.307975 617.642713| -1.131618 -1.136935| 0.954655 0.954231| 616.227670 616.557814|
--------------------------------------------------------------------------------------------------------------------------------
UG0W0 HOMO energy: 0.000000 eV
UG0W0 LUMO energy: -0.195665 eV
UG0W0 HOMO-LUMO gap : -0.195665 eV
--------------------------------------------------------------------------------------------------------------------------------
RPA@UG0W0 total energy : -1.025501 au
RPA@UG0W0 correlation energy: -0.028603 au
GM@UG0W0 total energy : -1.051633 au
GM@UG0W0 correlation energy: -0.054735 au
--------------------------------------------------------------------------------------------------------------------------------
-------------------------------------------------------------
BSE@UGW calculation: spin-flip manifold
-------------------------------------------------------------
| State | Excitation energy (au) | Excitation energy (eV) |
-------------------------------------------------------------
| 1 | 0.015212 | 0.413942 |
| 2 | 0.024500 | 0.666681 |
| 3 | 0.315394 | 8.582312 |
| 4 | 0.327226 | 8.904271 |
| 5 | 0.453161 | 12.331147 |
| 6 | 0.453212 | 12.332532 |
| 7 | 0.579488 | 15.768666 |
| 8 | 0.579488 | 15.768666 |
| 9 | 0.593771 | 16.157334 |
| 10 | 0.597753 | 16.265687 |
| 11 | 0.597753 | 16.265687 |
| 12 | 0.627347 | 17.070990 |
| 13 | 0.641930 | 17.467810 |
| 14 | 0.643136 | 17.500627 |
| 15 | 0.822374 | 22.377938 |
| 16 | 0.822374 | 22.377938 |
| 17 | 0.843865 | 22.962732 |
| 18 | 0.843865 | 22.962732 |
| 19 | 0.944348 | 25.697011 |
| 20 | 0.992723 | 27.013373 |
-------------------------------------------------------------
-------------------------------------------------------------
Excitation n. 1: 0.413942 eV f = 0.0000 <S**2> = 0.0053
-------------------------------------------------------------
1A -> 2B = -0.501747
1A -> 4B = -0.257187
2A -> 1B = 0.771887
2A -> 3B = 0.271882
-------------------------------------------------------------
Excitation n. 2: 0.666681 eV f = 0.0000 <S**2> = 1.9965
-------------------------------------------------------------
1A -> 1B = -0.662108
1A -> 3B = -0.251465
2A -> 2B = 0.629280
2A -> 4B = 0.300873
-------------------------------------------------------------
Excitation n. 3: 8.582312 eV f = 0.0000 <S**2> = 0.1833
-------------------------------------------------------------
1A -> 1B = 0.698145
1A -> 5B = -0.156035
2A -> 2B = 0.690240
-------------------------------------------------------------
Excitation n. 4: 8.904271 eV f = 0.0000 <S**2> = 0.2107
-------------------------------------------------------------
1A -> 2B = 0.739630
1A -> 4B = 0.201586
2A -> 1B = 0.605609
2A -> 3B = -0.100593
2A -> 5B = -0.180847
-------------------------------------------------------------
Excitation n. 5: 12.331147 eV f = 0.0000 <S**2> = 0.9737
-------------------------------------------------------------
1A -> 2B = -0.373976
1A -> 4B = 0.477474
2A -> 1B = 0.188388
2A -> 3B = -0.756200
-------------------------------------------------------------
Excitation n. 6: 12.332532 eV f = 0.0000 <S**2> = 1.0002
-------------------------------------------------------------
1A -> 1B = -0.256117
1A -> 3B = 0.566730
2A -> 2B = 0.309112
2A -> 4B = -0.704387
-------------------------------------------------------------
Excitation n. 7: 15.768666 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 8B = 0.136377
1A -> 9B = 0.457321
2A -> 6B = -0.470295
2A -> 7B = -0.739136
-------------------------------------------------------------
Excitation n. 8: 15.768666 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 8B = -0.457321
1A -> 9B = 0.136377
2A -> 6B = 0.739136
2A -> 7B = -0.470295
-------------------------------------------------------------
Excitation n. 9: 16.157334 eV f = 0.0000 <S**2> = 0.9525
-------------------------------------------------------------
1A -> 2B = -0.216792
1A -> 10B = 0.244532
2A -> 5B = -0.940606
-------------------------------------------------------------
Excitation n. 10: 16.265687 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 6B = 0.399656
1A -> 7B = 0.643717
2A -> 8B = -0.178457
2A -> 9B = -0.623513
-------------------------------------------------------------
Excitation n. 11: 16.265687 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 6B = 0.643717
1A -> 7B = -0.399656
2A -> 8B = -0.623513
2A -> 9B = 0.178457
-------------------------------------------------------------
Excitation n. 12: 17.070990 eV f = 0.0000 <S**2> = 0.9965
-------------------------------------------------------------
1A -> 3B = 0.504054
1A -> 5B = -0.703216
2A -> 2B = -0.165618
2A -> 4B = 0.405024
2A -> 10B = 0.219481
-------------------------------------------------------------
Excitation n. 13: 17.467810 eV f = 0.0000 <S**2> = 0.8751
-------------------------------------------------------------
1A -> 2B = 0.117165
1A -> 4B = -0.801060
2A -> 3B = -0.578326
-------------------------------------------------------------
Excitation n. 14: 17.500627 eV f = 0.0000 <S**2> = 0.8397
-------------------------------------------------------------
1A -> 3B = -0.591271
1A -> 5B = -0.603525
2A -> 4B = -0.471123
2A -> 10B = 0.240265
-------------------------------------------------------------
Excitation n. 15: 22.377938 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 6B = -0.650942
2A -> 8B = -0.733521
2A -> 9B = -0.193106
-------------------------------------------------------------
Excitation n. 16: 22.377938 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 7B = 0.650942
2A -> 8B = -0.193106
2A -> 9B = 0.733521
-------------------------------------------------------------
Excitation n. 17: 22.962732 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 8B = 0.817941
1A -> 9B = 0.314417
2A -> 6B = 0.478183
-------------------------------------------------------------
Excitation n. 18: 22.962732 eV f = 0.0000 <S**2> = 1.0000
-------------------------------------------------------------
1A -> 8B = -0.314417
1A -> 9B = 0.817941
2A -> 7B = 0.478183
-------------------------------------------------------------
Excitation n. 19: 25.697011 eV f = 0.0000 <S**2> = 0.9965
-------------------------------------------------------------
1A -> 5B = 0.322680
2A -> 10B = 0.935251
-------------------------------------------------------------
Excitation n. 20: 27.013373 eV f = 0.0000 <S**2> = 0.9968
-------------------------------------------------------------
1A -> 10B = 0.954937
2A -> 5B = 0.248296
2A -> 11B = 0.109128
Thomas-Reiche-Kuhn sum rule = 0.000000
-------------------------------------------------------------------------------
Tr@BSE@UG0W0 correlation energy (spin-conserved) = 0.0000000000
Tr@BSE@UG0W0 correlation energy (spin-flip) = -0.0000000000
Tr@BSE@UG0W0 correlation energy = -0.0000000000
Tr@BSE@UG0W0 total energy = -0.9968987943
-------------------------------------------------------------------------------
Total CPU time for G0W0 = 0.466 seconds
Total CPU time for QuAcK = 17.493 seconds
Reference in New Issue Copy Permalink