3167 lines
224 KiB
Plaintext
3167 lines
224 KiB
Plaintext
cp: examples/basis.butadiene.aug-cc-pvdz: No such file or directory
|
|
|
|
******************************************************************************************
|
|
* QuAcK QuAcK QuAcK *
|
|
* __ __ __ __ __ __ __ __ __ *
|
|
* <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ <(o )___ *
|
|
* ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / ( ._> / *
|
|
*|--------------------------------------------------------------------------------------|*
|
|
******************************************************************************************
|
|
|
|
----------------------
|
|
Number of atoms 3
|
|
----------------------
|
|
|
|
----------------------
|
|
Number of spin-up electron 5
|
|
Number of spin-down electron 5
|
|
Total number of electron 10
|
|
----------------------
|
|
|
|
----------------------
|
|
Number of core electron 0
|
|
Number of Rydberg electron 0
|
|
----------------------
|
|
|
|
------------------
|
|
Molecular geometry
|
|
------------------
|
|
Atom n. 1
|
|
Z = 8.0000000000
|
|
Atom coordinates: 0.0000000000 0.0000000000 -0.1320966900
|
|
Atom n. 2
|
|
Z = 1.0000000000
|
|
Atom coordinates: 0.0000000000 1.4315287800 0.9797000600
|
|
Atom n. 3
|
|
Z = 1.0000000000
|
|
Atom coordinates: 0.0000000000 -1.4315287800 0.9797000600
|
|
|
|
------------------
|
|
Nuclear repulsion energy = 9.1765804668
|
|
------------------
|
|
|
|
Gaussian basis set
|
|
------------------
|
|
Atom n. 1
|
|
number of shells 14
|
|
------------------
|
|
s-type shell with K = 8
|
|
Exponents Contraction
|
|
15330.0000000000 0.0005080000
|
|
2299.0000000000 0.0039290000
|
|
522.4000000000 0.0202430000
|
|
147.3000000000 0.0791810000
|
|
47.5500000000 0.2306870000
|
|
16.7600000000 0.4331180000
|
|
6.2070000000 0.3502600000
|
|
0.6882000000 -0.0081540000
|
|
s-type shell with K = 8
|
|
Exponents Contraction
|
|
15330.0000000000 -0.0001150000
|
|
2299.0000000000 -0.0008950000
|
|
522.4000000000 -0.0046360000
|
|
147.3000000000 -0.0187240000
|
|
47.5500000000 -0.0584630000
|
|
16.7600000000 -0.1364630000
|
|
6.2070000000 -0.1757400000
|
|
0.6882000000 0.6034180000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
1.7520000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2384000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0737600000 1.0000000000
|
|
p-type shell with K = 3
|
|
Exponents Contraction
|
|
34.4600000000 0.0159280000
|
|
7.7490000000 0.0997400000
|
|
2.2800000000 0.3104920000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.7156000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2140000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0597400000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
2.3140000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.6450000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2140000000 1.0000000000
|
|
f-type shell with K = 1
|
|
Exponents Contraction
|
|
1.4280000000 1.0000000000
|
|
f-type shell with K = 1
|
|
Exponents Contraction
|
|
0.5000000000 1.0000000000
|
|
------------------
|
|
Atom n. 2
|
|
number of shells 9
|
|
------------------
|
|
s-type shell with K = 3
|
|
Exponents Contraction
|
|
33.8700000000 0.0060680000
|
|
5.0950000000 0.0453080000
|
|
1.1590000000 0.2028220000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.3258000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.1027000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0252600000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
1.4070000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.3880000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.1020000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
1.0570000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2470000000 1.0000000000
|
|
------------------
|
|
Atom n. 3
|
|
number of shells 9
|
|
------------------
|
|
s-type shell with K = 3
|
|
Exponents Contraction
|
|
33.8700000000 0.0060680000
|
|
5.0950000000 0.0453080000
|
|
1.1590000000 0.2028220000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.3258000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.1027000000 1.0000000000
|
|
s-type shell with K = 1
|
|
Exponents Contraction
|
|
0.0252600000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
1.4070000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.3880000000 1.0000000000
|
|
p-type shell with K = 1
|
|
Exponents Contraction
|
|
0.1020000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
1.0570000000 1.0000000000
|
|
d-type shell with K = 1
|
|
Exponents Contraction
|
|
0.2470000000 1.0000000000
|
|
------------------
|
|
Number of shells 32
|
|
------------------
|
|
|
|
------------------
|
|
Number of basis functions 105
|
|
------------------
|
|
|
|
|
|
Nuclear Coordinates (Angstrom)
|
|
------------------------------
|
|
|
|
-----------------------------------------------------------------------
|
|
Center Atomic Element Coordinates (Angstroms)
|
|
Number X Y Z
|
|
-----------------------------------------------------------------------
|
|
1 8 O 0.000000 0.000000 -0.069903
|
|
2 1 H 0.000000 0.757532 0.518435
|
|
3 1 H 0.000000 -0.757532 0.518435
|
|
-----------------------------------------------------------------------
|
|
|
|
|
|
Nuclear repulsion :
|
|
9.17657980186
|
|
|
|
Atomic Basis set
|
|
----------------
|
|
|
|
-----------------------------------------------------------------------
|
|
# Angular Coordinates (Bohr) Exponents Coefficients
|
|
Momentum X Y Z
|
|
-----------------------------------------------------------------------
|
|
1-5 S 0.0000 0.0000 -0.1321 1.53300000e+04 5.08000000e-04
|
|
2.29900000e+03 3.92900000e-03
|
|
5.22400000e+02 2.02430000e-02
|
|
1.47300000e+02 7.91810000e-02
|
|
4.75500000e+01 2.30687000e-01
|
|
1.67600000e+01 4.33118000e-01
|
|
6.20700000e+00 3.50260000e-01
|
|
6.88200000e-01 -8.15400000e-03
|
|
|
|
1.53300000e+04 -1.15000000e-04
|
|
2.29900000e+03 -8.95000000e-04
|
|
5.22400000e+02 -4.63600000e-03
|
|
1.47300000e+02 -1.87240000e-02
|
|
4.75500000e+01 -5.84630000e-02
|
|
1.67600000e+01 -1.36463000e-01
|
|
6.20700000e+00 -1.75740000e-01
|
|
6.88200000e-01 6.03418000e-01
|
|
|
|
1.75200000e+00 1.00000000e+00
|
|
|
|
2.38400000e-01 1.00000000e+00
|
|
|
|
7.37600000e-02 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
6-17 P 0.0000 0.0000 -0.1321 3.44600000e+01 1.59280000e-02
|
|
7.74900000e+00 9.97400000e-02
|
|
2.28000000e+00 3.10492000e-01
|
|
|
|
7.15600000e-01 1.00000000e+00
|
|
|
|
2.14000000e-01 1.00000000e+00
|
|
|
|
5.97400000e-02 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
18-35 D 0.0000 0.0000 -0.1321 2.31400000e+00 1.00000000e+00
|
|
|
|
6.45000000e-01 1.00000000e+00
|
|
|
|
2.14000000e-01 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
36-55 F 0.0000 0.0000 -0.1321 1.42800000e+00 1.00000000e+00
|
|
|
|
5.00000000e-01 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
56-59 S 0.0000 1.4315 0.9797 3.38700000e+01 6.06800000e-03
|
|
5.09500000e+00 4.53080000e-02
|
|
1.15900000e+00 2.02822000e-01
|
|
|
|
3.25800000e-01 1.00000000e+00
|
|
|
|
1.02700000e-01 1.00000000e+00
|
|
|
|
2.52600000e-02 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
60-68 P 0.0000 1.4315 0.9797 1.40700000e+00 1.00000000e+00
|
|
|
|
3.88000000e-01 1.00000000e+00
|
|
|
|
1.02000000e-01 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
69-80 D 0.0000 1.4315 0.9797 1.05700000e+00 1.00000000e+00
|
|
|
|
2.47000000e-01 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
81-84 S 0.0000 -1.4315 0.9797 3.38700000e+01 6.06800000e-03
|
|
5.09500000e+00 4.53080000e-02
|
|
1.15900000e+00 2.02822000e-01
|
|
|
|
3.25800000e-01 1.00000000e+00
|
|
|
|
1.02700000e-01 1.00000000e+00
|
|
|
|
2.52600000e-02 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
85-93 P 0.0000 -1.4315 0.9797 1.40700000e+00 1.00000000e+00
|
|
|
|
3.88000000e-01 1.00000000e+00
|
|
|
|
1.02000000e-01 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
94-105D 0.0000 -1.4315 0.9797 1.05700000e+00 1.00000000e+00
|
|
|
|
2.47000000e-01 1.00000000e+00
|
|
|
|
|
|
-----------------------------------------------------------------------
|
|
|
|
528 significant shell pairs computed in 0.168028 seconds
|
|
1
|
|
2
|
|
3
|
|
4
|
|
5
|
|
8
|
|
11
|
|
14
|
|
17
|
|
23
|
|
29
|
|
35
|
|
45
|
|
55
|
|
56
|
|
57
|
|
58
|
|
59
|
|
62
|
|
65
|
|
68
|
|
74
|
|
80
|
|
81
|
|
82
|
|
83
|
|
84
|
|
87
|
|
90
|
|
93
|
|
99
|
|
Computed ERIs in 15.273889 seconds
|
|
Scaling integrals by 1.0000000000000000
|
|
|
|
Total CPU time for reading integrals = 9.572 seconds
|
|
|
|
|
|
************************************************
|
|
| Restricted Hartree-Fock calculation |
|
|
************************************************
|
|
|
|
|
|
----------------------------------------------------
|
|
| RHF calculation |
|
|
----------------------------------------------------
|
|
| # | HF energy | Conv | HL Gap |
|
|
----------------------------------------------------
|
|
| 1 | -48.1526035646 | 2.157531 | 0.040511 |
|
|
| 2 | -87.2419284630 | 1.710341 | 0.198168 |
|
|
| 3 | -77.2227915508 | 0.517662 | 0.357194 |
|
|
| 4 | -77.4326581639 | 0.253505 | 0.543002 |
|
|
| 5 | -76.2418666776 | 0.031978 | 0.554675 |
|
|
| 6 | -75.9925408125 | 0.017874 | 0.540598 |
|
|
| 7 | -76.0482862832 | 0.003469 | 0.539305 |
|
|
| 8 | -76.0606825169 | 0.000283 | 0.539365 |
|
|
| 9 | -76.0612774150 | 0.000094 | 0.539451 |
|
|
| 10 | -76.0609781667 | 0.000008 | 0.539448 |
|
|
| 11 | -76.0610067788 | 0.000001 | 0.539448 |
|
|
| 12 | -76.0610015141 | 0.000000 | 0.539448 |
|
|
| 13 | -76.0610014068 | 0.000000 | 0.539448 |
|
|
----------------------------------------------------
|
|
|
|
-----------------------------------------
|
|
Summary
|
|
-----------------------------------------
|
|
One-electron energy = -123.0168941231
|
|
Kinetic energy = 75.9726969660
|
|
Potential energy = -198.9895910892
|
|
-----------------------------------------
|
|
Two-electron energy = 37.7793122496
|
|
Coulomb energy = 46.7225073437
|
|
Exchange energy = -8.9431950941
|
|
-----------------------------------------
|
|
Electronic energy = -85.2375818736
|
|
Nuclear repulsion = 9.1765804668
|
|
Hartree-Fock energy = -76.0610014068
|
|
-----------------------------------------
|
|
HF HOMO energy (eV) = -13.883032
|
|
HF LUMO energy (eV) = 0.796106
|
|
HF HOMO-LUMO gap (eV) = 14.679138
|
|
-----------------------------------------
|
|
|
|
---------------------------------------
|
|
MO coefficients
|
|
---------------------------------------
|
|
1 2 3 4 5
|
|
1 -0.99520688 -0.01263974 0.00000000 0.00445671 0.00000000
|
|
2 0.01608091 0.85180528 0.00000000 0.31120642 0.00000000
|
|
3 -0.04915147 0.12941609 0.00000000 0.05310709 0.00000000
|
|
4 0.01621446 0.27076222 0.00000000 0.26231324 0.00000000
|
|
5 0.00338797 0.01431714 0.00000000 0.12335318 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 -0.93601644
|
|
7 0.00000000 0.00000000 -0.75137737 0.00000000 0.00000000
|
|
8 -0.00744135 0.11876126 0.00000000 -0.82490594 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 -0.41827346
|
|
10 0.00000000 0.00000000 -0.31082160 0.00000000 0.00000000
|
|
11 0.00592151 0.05001661 0.00000000 -0.35463815 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 -0.29754717
|
|
13 0.00000000 0.00000000 -0.16002397 0.00000000 0.00000000
|
|
14 0.00370915 0.01330016 0.00000000 -0.22364616 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 -0.03673015
|
|
16 0.00000000 0.00000000 -0.00279312 0.00000000 0.00000000
|
|
17 0.00019467 -0.00077282 0.00000000 -0.00731453 0.00000000
|
|
18 -0.00272223 -0.00233435 0.00000000 0.00592700 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.00550720
|
|
21 -0.00269801 0.00431046 0.00000000 -0.00019095 0.00000000
|
|
22 0.00000000 0.00000000 -0.01282002 0.00000000 0.00000000
|
|
23 -0.00270324 0.00251741 0.00000000 -0.00574385 0.00000000
|
|
24 -0.00825371 -0.00985318 0.00000000 0.01204913 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 -0.01657070
|
|
27 -0.00785194 -0.00109914 0.00000000 0.00610713 0.00000000
|
|
28 0.00000000 0.00000000 -0.02396392 0.00000000 0.00000000
|
|
29 -0.00794469 -0.00146393 0.00000000 -0.01695700 0.00000000
|
|
30 -0.00287550 0.00048790 0.00000000 -0.00140680 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 -0.00736518
|
|
33 -0.00207136 -0.00749404 0.00000000 0.00062837 0.00000000
|
|
34 0.00000000 0.00000000 -0.00823957 0.00000000 0.00000000
|
|
35 -0.00226681 -0.00322150 0.00000000 -0.01237866 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 -0.01407248
|
|
37 0.00000000 0.00000000 -0.00433345 0.00000000 0.00000000
|
|
38 -0.00113838 0.00003380 0.00000000 -0.00495425 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01130790
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 -0.00940216
|
|
42 0.00000000 0.00000000 -0.01853351 0.00000000 0.00000000
|
|
43 -0.00116782 0.00411957 0.00000000 -0.00981365 0.00000000
|
|
44 0.00000000 0.00000000 -0.00726010 0.00000000 0.00000000
|
|
45 -0.00251371 0.00270452 0.00000000 -0.01771491 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 -0.02254707
|
|
47 0.00000000 0.00000000 -0.00365390 0.00000000 0.00000000
|
|
48 -0.00133005 -0.00158930 0.00000000 -0.00619245 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 -0.01429179
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 -0.01310005
|
|
52 0.00000000 0.00000000 -0.01409076 0.00000000 0.00000000
|
|
53 -0.00087423 -0.00351201 0.00000000 -0.00795125 0.00000000
|
|
54 0.00000000 0.00000000 -0.00797579 0.00000000 0.00000000
|
|
55 -0.00267044 -0.00294569 0.00000000 -0.02044885 0.00000000
|
|
56 -0.00168328 0.37786701 -0.59746497 -0.36097001 0.00000000
|
|
57 -0.00056333 0.08583925 -0.19242428 -0.12892526 0.00000000
|
|
58 -0.00069399 0.00668091 -0.06898228 -0.09688605 0.00000000
|
|
59 -0.00018323 -0.00091833 0.00279581 -0.00280652 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 -0.01072143
|
|
61 0.00026732 -0.01138867 0.00960199 0.00969063 0.00000000
|
|
62 0.00018239 -0.00808224 0.01287903 -0.00155322 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 -0.02427086
|
|
64 -0.00037033 -0.01507877 0.01474675 0.02023607 0.00000000
|
|
65 -0.00032453 -0.01014165 0.02258473 -0.00430795 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 -0.02062321
|
|
67 -0.00010205 0.00064653 -0.00081513 0.00696043 0.00000000
|
|
68 -0.00017217 0.00076178 0.00364161 -0.00727583 0.00000000
|
|
69 -0.00002501 -0.00044405 0.00189872 0.00086871 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00320888
|
|
71 0.00000000 0.00000000 0.00000000 0.00000000 0.00243594
|
|
72 -0.00009017 0.00239870 -0.00262298 -0.00358436 0.00000000
|
|
73 0.00005907 0.00255348 -0.00556209 -0.00120195 0.00000000
|
|
74 0.00002915 0.00111397 -0.00326311 0.00151819 0.00000000
|
|
75 -0.00022102 -0.00225206 0.00405559 0.00709326 0.00000000
|
|
76 0.00000000 0.00000000 0.00000000 0.00000000 0.00331328
|
|
77 0.00000000 0.00000000 0.00000000 0.00000000 0.00208509
|
|
78 0.00020893 -0.00045430 0.00392862 0.00322894 0.00000000
|
|
79 0.00029799 0.00072597 -0.00242290 0.00083118 0.00000000
|
|
80 -0.00005470 -0.00193515 0.00068307 0.00735988 0.00000000
|
|
81 -0.00168328 0.37786701 0.59746497 -0.36097001 0.00000000
|
|
82 -0.00056333 0.08583925 0.19242428 -0.12892526 0.00000000
|
|
83 -0.00069399 0.00668091 0.06898228 -0.09688605 0.00000000
|
|
84 -0.00018323 -0.00091833 -0.00279581 -0.00280652 0.00000000
|
|
85 0.00000000 0.00000000 0.00000000 0.00000000 -0.01072143
|
|
86 -0.00026732 0.01138867 0.00960199 -0.00969063 0.00000000
|
|
87 0.00018239 -0.00808224 -0.01287903 -0.00155322 0.00000000
|
|
88 0.00000000 0.00000000 0.00000000 0.00000000 -0.02427086
|
|
89 0.00037033 0.01507877 0.01474675 -0.02023607 0.00000000
|
|
90 -0.00032453 -0.01014165 -0.02258473 -0.00430795 0.00000000
|
|
91 0.00000000 0.00000000 0.00000000 0.00000000 -0.02062321
|
|
92 0.00010205 -0.00064653 -0.00081513 -0.00696043 0.00000000
|
|
93 -0.00017217 0.00076178 -0.00364161 -0.00727583 0.00000000
|
|
94 -0.00002501 -0.00044405 -0.00189872 0.00086871 0.00000000
|
|
95 0.00000000 0.00000000 0.00000000 0.00000000 -0.00320888
|
|
96 0.00000000 0.00000000 0.00000000 0.00000000 0.00243594
|
|
97 -0.00009017 0.00239870 0.00262298 -0.00358436 0.00000000
|
|
98 -0.00005907 -0.00255348 -0.00556209 0.00120195 0.00000000
|
|
99 0.00002915 0.00111397 0.00326311 0.00151819 0.00000000
|
|
100 -0.00022102 -0.00225206 -0.00405559 0.00709326 0.00000000
|
|
101 0.00000000 0.00000000 0.00000000 0.00000000 -0.00331328
|
|
102 0.00000000 0.00000000 0.00000000 0.00000000 0.00208509
|
|
103 0.00020893 -0.00045430 -0.00392862 0.00322894 0.00000000
|
|
104 -0.00029799 -0.00072597 -0.00242290 -0.00083118 0.00000000
|
|
105 -0.00005470 -0.00193515 -0.00068307 0.00735988 0.00000000
|
|
6 7 8 9 10
|
|
1 0.00507170 0.00000000 0.01648776 0.00000000 0.01524822
|
|
2 -0.08632956 0.00000000 0.01267620 0.00000000 0.27870805
|
|
3 0.01613656 0.00000000 0.03668696 0.00000000 0.12527978
|
|
4 -0.78941037 0.00000000 1.92139226 0.00000000 -1.93259293
|
|
5 -2.36659267 0.00000000 9.03625243 0.00000000 -2.68679634
|
|
6 0.00000000 0.00000000 0.00000000 -0.16867433 0.00000000
|
|
7 0.00000000 -0.07511692 0.00000000 0.00000000 0.00000000
|
|
8 -0.07071973 0.00000000 -0.20588376 0.00000000 0.11263790
|
|
9 0.00000000 0.00000000 0.00000000 -0.09455595 0.00000000
|
|
10 0.00000000 -0.08591252 0.00000000 0.00000000 0.00000000
|
|
11 -0.08984307 0.00000000 0.04569557 0.00000000 -0.07468576
|
|
12 0.00000000 0.00000000 0.00000000 -0.23206532 0.00000000
|
|
13 0.00000000 -0.43267435 0.00000000 0.00000000 0.00000000
|
|
14 -0.23641901 0.00000000 0.43791212 0.00000000 -0.59828022
|
|
15 0.00000000 0.00000000 0.00000000 1.79552344 0.00000000
|
|
16 0.00000000 -1.18815645 -0.00000000 0.00000000 0.00000000
|
|
17 -0.21220224 0.00000000 2.68636628 0.00000000 0.97112969
|
|
18 0.00342508 0.00000000 0.00798480 0.00000000 0.01111310
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 -0.00022986 0.00000000
|
|
21 0.00425488 0.00000000 -0.00122666 0.00000000 0.00853814
|
|
22 0.00000000 0.00043689 0.00000000 0.00000000 0.00000000
|
|
23 0.00359831 0.00000000 0.00012626 0.00000000 0.01176405
|
|
24 0.05848683 0.00000000 0.01058383 0.00000000 0.14197857
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -0.00776508 0.00000000
|
|
27 0.01785017 0.00000000 0.11638318 0.00000000 0.04359980
|
|
28 0.00000000 -0.03283184 0.00000000 0.00000000 0.00000000
|
|
29 0.02974378 0.00000000 0.07601986 0.00000000 0.07795142
|
|
30 0.11132113 0.00000000 0.05363427 0.00000000 0.20604208
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.21035208 0.00000000
|
|
33 0.07230940 0.00000000 0.22977445 0.00000000 0.05564521
|
|
34 0.00000000 -0.08634077 0.00000000 0.00000000 0.00000000
|
|
35 0.10225362 0.00000000 0.30453709 0.00000000 0.25878807
|
|
36 0.00000000 0.00000000 0.00000000 0.03367635 0.00000000
|
|
37 0.00000000 0.00079947 0.00000000 0.00000000 0.00000000
|
|
38 0.00302707 0.00000000 0.00093064 0.00000000 0.01162150
|
|
39 0.00000000 0.00000000 0.00000000 0.01009516 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.01113167 0.00000000
|
|
42 0.00000000 0.00009531 0.00000000 0.00000000 0.00000000
|
|
43 -0.00197222 0.00000000 -0.00024308 0.00000000 -0.00070542
|
|
44 0.00000000 -0.00163515 0.00000000 0.00000000 0.00000000
|
|
45 0.00413133 0.00000000 -0.00160014 0.00000000 0.01965386
|
|
46 0.00000000 0.00000000 0.00000000 0.14339650 0.00000000
|
|
47 0.00000000 0.00199726 0.00000000 0.00000000 0.00000000
|
|
48 -0.00018073 0.00000000 0.02945410 0.00000000 0.01526639
|
|
49 0.00000000 0.00000000 0.00000000 0.09878892 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.08992777 0.00000000
|
|
52 0.00000000 -0.02166196 0.00000000 0.00000000 0.00000000
|
|
53 -0.00809768 0.00000000 0.10017703 0.00000000 0.01441732
|
|
54 0.00000000 -0.00881064 0.00000000 0.00000000 0.00000000
|
|
55 -0.00236226 0.00000000 0.11187521 0.00000000 0.04618202
|
|
56 0.01038500 -0.04124011 0.07773265 0.00000000 -0.01156456
|
|
57 0.14820527 0.16712597 -0.03678539 0.00000000 0.81815622
|
|
58 0.88511422 1.57518700 -5.83547905 0.00000000 -0.49586027
|
|
59 0.85713281 3.44016991 -0.67792060 0.00000000 0.75777491
|
|
60 0.00000000 0.00000000 0.00000000 -0.00009071 0.00000000
|
|
61 0.00117785 -0.00107201 0.00710021 0.00000000 -0.00881564
|
|
62 0.00022712 0.00053313 0.00839348 0.00000000 -0.00316262
|
|
63 0.00000000 0.00000000 0.00000000 -0.08305418 0.00000000
|
|
64 -0.07533551 -0.06543365 0.26638454 0.00000000 -0.22993572
|
|
65 -0.06158046 -0.07096109 0.14886693 0.00000000 -0.20671196
|
|
66 0.00000000 0.00000000 0.00000000 -0.49445964 0.00000000
|
|
67 -0.19237093 -0.30519969 1.00803898 0.00000000 -0.64316048
|
|
68 -0.16866111 -0.33841865 0.66519707 0.00000000 -0.69626617
|
|
69 -0.00185827 -0.00520256 0.01894986 0.00000000 0.00843940
|
|
70 0.00000000 0.00000000 0.00000000 0.00373113 0.00000000
|
|
71 0.00000000 0.00000000 0.00000000 0.00211051 0.00000000
|
|
72 0.00397272 0.00083083 0.00979836 0.00000000 0.02710486
|
|
73 0.00657595 0.00462653 -0.00635239 0.00000000 0.02026168
|
|
74 0.00300050 -0.00224934 0.01197664 0.00000000 0.02040637
|
|
75 -0.03780623 -0.05319683 0.37138195 0.00000000 0.18933377
|
|
76 0.00000000 0.00000000 0.00000000 0.08820830 0.00000000
|
|
77 0.00000000 0.00000000 0.00000000 0.05987021 0.00000000
|
|
78 0.00729475 -0.03589901 0.23394649 0.00000000 0.29546157
|
|
79 0.03811299 0.04133544 -0.08242714 0.00000000 0.11588536
|
|
80 -0.01136298 -0.01632626 0.36108733 0.00000000 0.28449946
|
|
81 0.01038500 0.04124011 0.07773265 0.00000000 -0.01156456
|
|
82 0.14820527 -0.16712597 -0.03678539 0.00000000 0.81815621
|
|
83 0.88511422 -1.57518700 -5.83547905 0.00000000 -0.49586027
|
|
84 0.85713281 -3.44016991 -0.67792060 0.00000000 0.75777491
|
|
85 0.00000000 0.00000000 0.00000000 -0.00009071 0.00000000
|
|
86 -0.00117785 -0.00107201 -0.00710021 0.00000000 0.00881564
|
|
87 0.00022712 -0.00053313 0.00839348 0.00000000 -0.00316262
|
|
88 0.00000000 0.00000000 0.00000000 -0.08305418 0.00000000
|
|
89 0.07533551 -0.06543365 -0.26638454 0.00000000 0.22993572
|
|
90 -0.06158046 0.07096109 0.14886693 0.00000000 -0.20671196
|
|
91 0.00000000 0.00000000 0.00000000 -0.49445964 0.00000000
|
|
92 0.19237093 -0.30519969 -1.00803898 0.00000000 0.64316048
|
|
93 -0.16866111 0.33841865 0.66519707 0.00000000 -0.69626617
|
|
94 -0.00185827 0.00520256 0.01894986 0.00000000 0.00843940
|
|
95 0.00000000 0.00000000 0.00000000 -0.00373113 0.00000000
|
|
96 0.00000000 0.00000000 0.00000000 0.00211051 0.00000000
|
|
97 0.00397272 -0.00083083 0.00979836 0.00000000 0.02710486
|
|
98 -0.00657595 0.00462653 0.00635239 0.00000000 -0.02026168
|
|
99 0.00300050 0.00224934 0.01197664 0.00000000 0.02040637
|
|
100 -0.03780623 0.05319683 0.37138195 0.00000000 0.18933377
|
|
101 0.00000000 0.00000000 0.00000000 -0.08820830 0.00000000
|
|
102 0.00000000 0.00000000 0.00000000 0.05987021 0.00000000
|
|
103 0.00729475 0.03589901 0.23394649 0.00000000 0.29546157
|
|
104 -0.03811299 0.04133544 0.08242714 0.00000000 -0.11588536
|
|
105 -0.01136298 0.01632626 0.36108733 0.00000000 0.28449946
|
|
11 12 13 14 15
|
|
1 0.00000000 0.00000000 0.02618078 0.00000000 0.07284650
|
|
2 0.00000000 0.00000000 0.09742681 0.00000000 0.31673163
|
|
3 0.00000000 0.00000000 0.06457914 0.00000000 0.20897769
|
|
4 0.00000000 0.00000000 0.13033197 0.00000000 1.02885619
|
|
5 -0.00000000 0.00000000 -5.76182488 0.00000000 -8.36316733
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.22432292 -0.21379098 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 -0.03131832 0.00000000 -0.14655064
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.03595747 -0.02980861 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 -0.05259755 0.00000000 -0.18349132
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 1.00150321 0.97233946 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 1.01750094 0.00000000 -0.53265049
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 4.13247263 -1.83555886 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 -0.05832104 0.00000000 -2.80500245
|
|
18 0.00000000 0.00000000 0.00266768 0.00000000 0.01359551
|
|
19 0.00000000 0.00000000 0.00000000 -0.00535095 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.01253990 0.00000000 0.01304303
|
|
22 -0.00611882 0.00606388 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 -0.00099832 0.00000000 0.01815234
|
|
24 0.00000000 0.00000000 0.07387426 0.00000000 0.23753445
|
|
25 0.00000000 0.00000000 0.00000000 0.01367218 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.01872960 0.00000000 0.19255965
|
|
28 0.08291326 0.03801191 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.09364466 0.00000000 0.18620316
|
|
30 0.00000000 0.00000000 0.29406451 0.00000000 0.92153477
|
|
31 0.00000000 0.00000000 0.00000000 0.69596956 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -0.34787918 0.00000000 1.54581095
|
|
34 0.23247980 0.07675470 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.89802899 0.00000000 0.65656889
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 -0.00280732 -0.01020369 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00325774 0.00000000 0.00702262
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 -0.01180790 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 -0.00696804 -0.01968181 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 -0.00042012 0.00000000 -0.01599236
|
|
44 0.00228547 -0.00417479 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 -0.00733281 0.00000000 0.01330623
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 -0.00773616 -0.03225734 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 -0.03636234 0.00000000 0.01878839
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.09757437 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.05414501 -0.07325585 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 -0.07510551 0.00000000 0.05276758
|
|
54 0.02465182 -0.06084683 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.03548079 0.00000000 -0.01303681
|
|
56 0.08106798 -0.04899838 0.01991816 0.00000000 -0.18437449
|
|
57 -0.17988182 -1.28223245 -0.62701739 0.00000000 -1.24497796
|
|
58 -6.42274659 2.83672160 3.77300078 0.00000000 5.03264978
|
|
59 -3.39498699 -0.25116774 0.17565454 0.00000000 0.24072371
|
|
60 0.00000000 0.00000000 0.00000000 0.00149215 0.00000000
|
|
61 0.01317905 -0.00372226 -0.01201061 0.00000000 -0.00929527
|
|
62 0.00769132 0.00045193 -0.00068058 0.00000000 -0.01436320
|
|
63 0.00000000 0.00000000 0.00000000 -0.28168143 0.00000000
|
|
64 0.18717655 0.16888019 0.18636810 0.00000000 -0.17309233
|
|
65 0.20171458 0.18162047 -0.25560468 0.00000000 0.09561900
|
|
66 0.00000000 0.00000000 0.00000000 -1.79482608 0.00000000
|
|
67 1.20101388 0.80207172 0.68802275 0.00000000 -0.08895265
|
|
68 1.20982761 0.68227801 -1.05375357 0.00000000 1.19611413
|
|
69 0.02299292 -0.02078603 -0.00897411 0.00000000 -0.03841530
|
|
70 0.00000000 0.00000000 0.00000000 0.00479596 0.00000000
|
|
71 0.00000000 0.00000000 0.00000000 0.00328612 0.00000000
|
|
72 0.00615445 -0.03143057 -0.02012934 0.00000000 -0.00567308
|
|
73 -0.01360285 -0.01047325 0.01364706 0.00000000 0.02080492
|
|
74 0.01373783 -0.03227428 -0.00573382 0.00000000 -0.01683753
|
|
75 0.30594513 -0.51843934 -0.38598038 0.00000000 -0.65397756
|
|
76 0.00000000 0.00000000 0.00000000 0.24914891 0.00000000
|
|
77 0.00000000 0.00000000 0.00000000 0.22236747 0.00000000
|
|
78 0.27735403 -0.60527229 -0.54607089 0.00000000 -0.47046698
|
|
79 -0.11433145 -0.08314165 0.06343596 0.00000000 0.00400747
|
|
80 0.20122743 -0.59078476 -0.12899839 0.00000000 -0.78274632
|
|
81 -0.08106798 0.04899838 0.01991816 0.00000000 -0.18437449
|
|
82 0.17988182 1.28223245 -0.62701739 0.00000000 -1.24497796
|
|
83 6.42274659 -2.83672160 3.77300078 0.00000000 5.03264978
|
|
84 3.39498699 0.25116774 0.17565454 0.00000000 0.24072371
|
|
85 0.00000000 0.00000000 0.00000000 -0.00149215 0.00000000
|
|
86 0.01317905 -0.00372226 0.01201061 0.00000000 0.00929527
|
|
87 -0.00769132 -0.00045193 -0.00068058 0.00000000 -0.01436320
|
|
88 0.00000000 0.00000000 0.00000000 0.28168143 0.00000000
|
|
89 0.18717655 0.16888019 -0.18636810 0.00000000 0.17309233
|
|
90 -0.20171458 -0.18162047 -0.25560468 0.00000000 0.09561900
|
|
91 0.00000000 0.00000000 0.00000000 1.79482608 0.00000000
|
|
92 1.20101388 0.80207172 -0.68802275 0.00000000 0.08895265
|
|
93 -1.20982761 -0.68227801 -1.05375357 0.00000000 1.19611413
|
|
94 -0.02299292 0.02078603 -0.00897411 0.00000000 -0.03841530
|
|
95 0.00000000 0.00000000 0.00000000 0.00479596 0.00000000
|
|
96 0.00000000 0.00000000 0.00000000 -0.00328612 0.00000000
|
|
97 -0.00615445 0.03143057 -0.02012934 0.00000000 -0.00567308
|
|
98 -0.01360285 -0.01047325 -0.01364706 0.00000000 -0.02080492
|
|
99 -0.01373783 0.03227428 -0.00573382 0.00000000 -0.01683753
|
|
100 -0.30594513 0.51843934 -0.38598038 0.00000000 -0.65397756
|
|
101 0.00000000 0.00000000 0.00000000 0.24914891 0.00000000
|
|
102 0.00000000 0.00000000 0.00000000 -0.22236747 0.00000000
|
|
103 -0.27735403 0.60527229 -0.54607089 0.00000000 -0.47046698
|
|
104 -0.11433145 -0.08314165 -0.06343596 0.00000000 -0.00400747
|
|
105 -0.20122743 0.59078476 -0.12899839 0.00000000 -0.78274632
|
|
16 17 18 19 20
|
|
1 0.00000000 0.00000000 -0.07804891 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 -0.47858690 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 -0.15388403 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -5.99969358 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 -14.71176480 0.00000000 -0.00000000
|
|
6 -0.12213988 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.03904619 0.00000000 0.34830032 -0.25900727
|
|
8 0.00000000 0.00000000 -0.28393907 0.00000000 0.00000000
|
|
9 -0.04921055 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 -0.04044962 0.00000000 0.23850902 -0.22437158
|
|
11 0.00000000 0.00000000 -0.31000796 0.00000000 0.00000000
|
|
12 -2.25719811 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 1.52236641 0.00000000 3.02137518 -1.71479885
|
|
14 0.00000000 0.00000000 -2.10703394 0.00000000 0.00000000
|
|
15 -1.93307274 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 3.09746017 0.00000000 3.56385424 2.74953166
|
|
17 0.00000000 0.00000000 -1.75702319 0.00000000 -0.00000000
|
|
18 0.00000000 0.00000000 -0.01027585 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00342061 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00812675 0.00000000 0.00000000
|
|
22 0.00000000 0.00236813 0.00000000 -0.00289139 0.00574939
|
|
23 0.00000000 0.00000000 0.00035235 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 -0.03042310 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 -0.00471248 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 -0.20174121 0.00000000 0.00000000
|
|
28 0.00000000 -0.02545619 0.00000000 0.09139129 0.03201002
|
|
29 0.00000000 0.00000000 -0.16747464 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 -0.90757428 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 -0.54029300 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -1.16957834 0.00000000 0.00000000
|
|
34 0.00000000 0.26829399 -0.00000000 -0.12741785 -0.25967721
|
|
35 0.00000000 0.00000000 -1.07014109 0.00000000 0.00000000
|
|
36 0.02585902 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00386839 0.00000000 -0.02293720 0.00296398
|
|
38 0.00000000 0.00000000 0.01003342 0.00000000 0.00000000
|
|
39 0.02396560 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.02276405 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 -0.00864812 0.00000000 -0.03667132 0.00657247
|
|
43 0.00000000 0.00000000 0.01332831 0.00000000 0.00000000
|
|
44 0.00000000 0.00612647 0.00000000 -0.00716380 0.00268543
|
|
45 0.00000000 0.00000000 0.02388739 0.00000000 0.00000000
|
|
46 0.31162343 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 -0.03746966 0.00000000 -0.14871545 -0.00390557
|
|
48 0.00000000 0.00000000 0.04260433 0.00000000 0.00000000
|
|
49 0.04484616 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.06651944 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.04355749 0.00000000 -0.30358740 -0.03000169
|
|
53 0.00000000 0.00000000 -0.05578986 0.00000000 0.00000000
|
|
54 0.00000000 -0.07520354 0.00000000 -0.18408026 0.04966936
|
|
55 0.00000000 0.00000000 0.04994871 0.00000000 0.00000000
|
|
56 0.00000000 0.09263624 -0.00512193 0.09076211 0.82003833
|
|
57 0.00000000 -0.73494597 0.56291323 0.27721712 3.77103921
|
|
58 0.00000000 4.93521782 10.76142614 -14.33393097 -11.75222852
|
|
59 0.00000000 -0.64163014 0.73539023 -2.17973734 -0.54285810
|
|
60 -0.00780111 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00322594 0.01197855 -0.00262294 0.01783014
|
|
62 0.00000000 -0.00680892 0.00314029 -0.00584198 0.02121749
|
|
63 0.26775474 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 -0.21093740 -0.36956901 0.15718775 -0.20930042
|
|
65 0.00000000 0.18094827 -0.24993618 0.20920780 -0.23581803
|
|
66 1.92819505 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 -4.61589144 -2.73243112 4.00782964 1.75347907
|
|
68 0.00000000 1.76798792 -2.26668126 2.61153153 0.46815250
|
|
69 0.00000000 0.01257978 -0.01600254 0.02625459 0.05080895
|
|
70 0.00012076 0.00000000 0.00000000 0.00000000 0.00000000
|
|
71 0.00030621 0.00000000 0.00000000 0.00000000 0.00000000
|
|
72 0.00000000 0.00477623 -0.02025269 0.00669626 0.06724935
|
|
73 0.00000000 0.01227383 0.00353388 -0.01789615 0.01199272
|
|
74 0.00000000 0.00055862 -0.01126157 0.01617218 0.06956714
|
|
75 0.00000000 -0.31808932 -0.42284344 0.50904754 1.48211754
|
|
76 -0.26997204 0.00000000 0.00000000 0.00000000 0.00000000
|
|
77 -0.16129516 0.00000000 0.00000000 0.00000000 0.00000000
|
|
78 0.00000000 0.43360666 -0.14166022 0.27604338 1.42902546
|
|
79 0.00000000 -0.13133253 0.19804127 -0.20593840 0.14304705
|
|
80 0.00000000 -0.41222367 -0.31883011 0.28308771 1.55838222
|
|
81 0.00000000 -0.09263624 -0.00512193 -0.09076211 -0.82003833
|
|
82 0.00000000 0.73494597 0.56291323 -0.27721712 -3.77103921
|
|
83 0.00000000 -4.93521783 10.76142615 14.33393097 11.75222852
|
|
84 0.00000000 0.64163014 0.73539023 2.17973734 0.54285810
|
|
85 -0.00780111 0.00000000 0.00000000 0.00000000 0.00000000
|
|
86 0.00000000 0.00322594 -0.01197855 -0.00262294 0.01783014
|
|
87 0.00000000 0.00680892 0.00314029 0.00584198 -0.02121749
|
|
88 0.26775474 0.00000000 0.00000000 0.00000000 0.00000000
|
|
89 0.00000000 -0.21093740 0.36956901 0.15718775 -0.20930042
|
|
90 0.00000000 -0.18094827 -0.24993618 -0.20920780 0.23581803
|
|
91 1.92819505 0.00000000 0.00000000 0.00000000 0.00000000
|
|
92 0.00000000 -4.61589144 2.73243112 4.00782964 1.75347907
|
|
93 0.00000000 -1.76798792 -2.26668126 -2.61153153 -0.46815250
|
|
94 0.00000000 -0.01257978 -0.01600254 -0.02625459 -0.05080895
|
|
95 -0.00012076 0.00000000 0.00000000 0.00000000 0.00000000
|
|
96 0.00030621 0.00000000 0.00000000 0.00000000 0.00000000
|
|
97 0.00000000 -0.00477623 -0.02025269 -0.00669626 -0.06724935
|
|
98 0.00000000 0.01227383 -0.00353388 -0.01789615 0.01199272
|
|
99 0.00000000 -0.00055862 -0.01126157 -0.01617218 -0.06956714
|
|
100 0.00000000 0.31808932 -0.42284344 -0.50904754 -1.48211754
|
|
101 0.26997204 0.00000000 0.00000000 0.00000000 0.00000000
|
|
102 -0.16129516 0.00000000 0.00000000 0.00000000 0.00000000
|
|
103 0.00000000 -0.43360666 -0.14166022 -0.27604338 -1.42902546
|
|
104 0.00000000 -0.13133253 -0.19804127 -0.20593840 0.14304705
|
|
105 0.00000000 0.41222367 -0.31883011 -0.28308771 -1.55838222
|
|
21 22 23 24 25
|
|
1 -0.03021231 -0.00606858 0.08559431 0.00000000 0.00000000
|
|
2 0.13202596 -0.12162255 0.18759404 0.00000000 0.00000000
|
|
3 -0.12482135 0.07149902 0.17207954 0.00000000 0.00000000
|
|
4 2.57884021 5.96624278 -7.79561550 0.00000000 0.00000000
|
|
5 -10.84704379 0.65294546 0.52630335 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.41089989 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.07545107 0.13418000 -0.12736193 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.24615111 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.15761558 0.80940043 -0.94334042 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.08793795 0.00000000
|
|
13 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
14 1.51093478 1.89734599 1.06311017 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 1.38443890 0.00000000
|
|
16 -0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 -2.15061617 1.27882391 0.68558989 0.00000000 0.00000000
|
|
18 -0.01194639 0.01350604 0.01244531 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.01458745
|
|
20 0.00000000 0.00000000 0.00000000 0.02296360 0.00000000
|
|
21 -0.01603320 0.00796733 0.00474626 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 -0.01618052 0.02257529 0.00951840 0.00000000 0.00000000
|
|
24 -0.18459269 -0.03048520 0.38272308 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 -0.10674156
|
|
26 0.00000000 0.00000000 0.00000000 0.01585971 0.00000000
|
|
27 -0.23328393 0.31171336 -0.24831762 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 -0.14833965 0.35082440 0.14667719 0.00000000 0.00000000
|
|
30 -0.58886094 -1.22719522 2.30586838 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 -2.06652582
|
|
32 0.00000000 0.00000000 0.00000000 1.24061340 0.00000000
|
|
33 -0.94674634 -0.76029398 -0.74454991 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000
|
|
35 -0.27766926 1.60988728 2.26354487 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.10452016 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 -0.00939123 0.03696784 -0.00986464 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.02693049 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.02332424
|
|
41 0.00000000 0.00000000 0.00000000 0.04436346 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00744280 0.04224428 -0.04249240 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 -0.02025302 0.06786600 -0.05977800 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.50463334 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 -0.02992675 0.32963013 -0.39331619 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.42691295 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 -0.25418786
|
|
51 0.00000000 0.00000000 0.00000000 0.31718445 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 -0.13077979 0.60668730 -0.70903636 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 -0.02286094 1.13934008 -0.79395013 0.00000000 0.00000000
|
|
56 -0.78741265 0.00506116 0.23213793 0.00000000 0.00000000
|
|
57 -3.52649420 -3.42757034 4.17725238 0.00000000 0.00000000
|
|
58 11.16881165 -0.43278559 -2.51928924 0.00000000 0.00000000
|
|
59 0.01114907 0.00853176 0.12911659 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 0.00000000 0.02206006 -0.03629286
|
|
61 -0.02227776 -0.00923994 -0.04096288 0.00000000 0.00000000
|
|
62 -0.00501061 0.03820244 0.00591336 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.00000000 -0.43911331 0.66365507
|
|
64 0.35376899 1.52860665 -1.08222620 0.00000000 0.00000000
|
|
65 0.08739731 0.39210841 -1.37692662 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 0.00000000 -1.03610378 1.69799092
|
|
67 -0.74524564 0.55889241 0.87912268 0.00000000 0.00000000
|
|
68 -1.02397738 -0.94276434 -0.43453353 0.00000000 0.00000000
|
|
69 -0.04912690 0.02927419 0.00775254 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 0.00000000 0.01709933 -0.01565887
|
|
71 0.00000000 0.00000000 0.00000000 0.00453204 -0.01298566
|
|
72 -0.09719850 -0.05444285 0.07171373 0.00000000 0.00000000
|
|
73 -0.02375188 -0.02452357 0.08084689 0.00000000 0.00000000
|
|
74 -0.06755224 -0.00990413 0.06261376 0.00000000 0.00000000
|
|
75 -1.41526678 -0.00600337 0.22517545 0.00000000 0.00000000
|
|
76 0.00000000 0.00000000 0.00000000 0.28588666 -0.71136865
|
|
77 0.00000000 0.00000000 0.00000000 0.42933322 -0.52165249
|
|
78 -1.68199874 -0.72489868 0.30487285 0.00000000 0.00000000
|
|
79 -0.10502681 -0.23920064 0.61047892 0.00000000 0.00000000
|
|
80 -1.41800713 0.52235613 0.89344713 0.00000000 0.00000000
|
|
81 -0.78741265 0.00506116 0.23213793 0.00000000 0.00000000
|
|
82 -3.52649420 -3.42757034 4.17725238 0.00000000 0.00000000
|
|
83 11.16881164 -0.43278559 -2.51928924 0.00000000 0.00000000
|
|
84 0.01114907 0.00853176 0.12911659 0.00000000 0.00000000
|
|
85 0.00000000 0.00000000 0.00000000 0.02206006 0.03629286
|
|
86 0.02227776 0.00923994 0.04096288 0.00000000 0.00000000
|
|
87 -0.00501061 0.03820244 0.00591336 0.00000000 0.00000000
|
|
88 0.00000000 0.00000000 0.00000000 -0.43911331 -0.66365507
|
|
89 -0.35376899 -1.52860665 1.08222620 0.00000000 0.00000000
|
|
90 0.08739731 0.39210841 -1.37692662 0.00000000 0.00000000
|
|
91 0.00000000 0.00000000 0.00000000 -1.03610378 -1.69799092
|
|
92 0.74524564 -0.55889241 -0.87912268 0.00000000 0.00000000
|
|
93 -1.02397738 -0.94276434 -0.43453353 0.00000000 0.00000000
|
|
94 -0.04912690 0.02927419 0.00775254 0.00000000 0.00000000
|
|
95 0.00000000 0.00000000 0.00000000 -0.01709933 -0.01565887
|
|
96 0.00000000 0.00000000 0.00000000 0.00453204 0.01298566
|
|
97 -0.09719850 -0.05444285 0.07171373 0.00000000 0.00000000
|
|
98 0.02375188 0.02452357 -0.08084689 0.00000000 0.00000000
|
|
99 -0.06755224 -0.00990413 0.06261376 0.00000000 0.00000000
|
|
100 -1.41526678 -0.00600337 0.22517545 0.00000000 0.00000000
|
|
101 0.00000000 0.00000000 0.00000000 -0.28588666 -0.71136865
|
|
102 0.00000000 0.00000000 0.00000000 0.42933322 0.52165249
|
|
103 -1.68199874 -0.72489868 0.30487285 0.00000000 0.00000000
|
|
104 0.10502681 0.23920064 -0.61047892 0.00000000 0.00000000
|
|
105 -1.41800713 0.52235613 0.89344713 0.00000000 0.00000000
|
|
26 27 28 29 30
|
|
1 0.00000000 -0.16424713 0.00000000 0.00000000 0.00000000
|
|
2 0.00000000 -0.27029950 0.00000000 0.00000000 0.00000000
|
|
3 0.00000000 -0.48453010 0.00000000 0.00000000 0.00000000
|
|
4 0.00000000 1.87008286 0.00000000 0.00000000 0.00000000
|
|
5 0.00000000 9.60388389 0.00000000 0.00000000 0.00000000
|
|
6 0.00000000 0.00000000 0.72171093 0.12189730 0.00000000
|
|
7 0.18394464 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 -0.50799532 0.00000000 0.00000000 0.00000000
|
|
9 0.00000000 0.00000000 0.43002973 0.13908173 0.00000000
|
|
10 1.32981192 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.28148926 0.00000000 0.00000000 0.00000000
|
|
12 0.00000000 0.00000000 -5.05806584 0.87434193 0.00000000
|
|
13 3.18201226 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.09489435 0.00000000 0.00000000 0.00000000
|
|
15 0.00000000 0.00000000 -0.77515438 0.48883944 0.00000000
|
|
16 -0.24068749 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 1.58070540 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 -0.04900988 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 -0.02877989
|
|
20 0.00000000 0.00000000 -0.00382066 -0.00567829 0.00000000
|
|
21 0.00000000 -0.03706613 0.00000000 0.00000000 0.00000000
|
|
22 -0.00428095 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 -0.04539792 0.00000000 0.00000000 0.00000000
|
|
24 -0.00000000 -0.75076637 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.14105059
|
|
26 0.00000000 0.00000000 -0.05021670 0.06748904 0.00000000
|
|
27 0.00000000 -0.44191363 0.00000000 0.00000000 0.00000000
|
|
28 0.59806163 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 -0.49413155 0.00000000 0.00000000 0.00000000
|
|
30 -0.00000000 -2.47288189 0.00000000 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.13023791
|
|
32 0.00000000 0.00000000 -1.15948287 1.22844307 0.00000000
|
|
33 -0.00000000 -3.91332212 0.00000000 0.00000000 0.00000000
|
|
34 3.22663195 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 -0.00000000 -2.30659795 0.00000000 0.00000000 0.00000000
|
|
36 0.00000000 0.00000000 0.10892651 0.05046447 0.00000000
|
|
37 0.04529978 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 -0.03106053 0.00000000 0.00000000 0.00000000
|
|
39 0.00000000 0.00000000 0.07764356 0.03929328 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 -0.00047583
|
|
41 0.00000000 0.00000000 0.06445028 -0.01738790 0.00000000
|
|
42 0.09601085 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.04155972 0.00000000 0.00000000 0.00000000
|
|
44 0.05015941 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 -0.04439580 0.00000000 0.00000000 0.00000000
|
|
46 0.00000000 0.00000000 1.00719520 0.25235477 0.00000000
|
|
47 0.43186905 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.03544513 0.00000000 0.00000000 0.00000000
|
|
49 0.00000000 0.00000000 0.25543051 0.09788292 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00817313
|
|
51 0.00000000 0.00000000 0.33157936 0.35521477 0.00000000
|
|
52 1.51230738 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 -0.06098042 0.00000000 0.00000000 0.00000000
|
|
54 0.85758091 -0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.11697174 0.00000000 0.00000000 0.00000000
|
|
56 -0.03715080 0.32129386 0.00000000 0.00000000 0.00000000
|
|
57 -7.87868783 2.12128793 0.00000000 0.00000000 0.00000000
|
|
58 4.77198755 -5.63385927 0.00000000 0.00000000 0.00000000
|
|
59 -0.39661440 -0.33486485 0.00000000 0.00000000 0.00000000
|
|
60 0.00000000 0.00000000 -0.03628345 0.01988592 -0.00168583
|
|
61 0.02877589 0.02938580 0.00000000 0.00000000 0.00000000
|
|
62 0.01538020 0.03743158 0.00000000 0.00000000 0.00000000
|
|
63 0.00000000 0.00000000 0.49139639 -0.37175864 -0.04373493
|
|
64 1.64133304 0.69093722 0.00000000 0.00000000 0.00000000
|
|
65 1.36134053 0.24528836 0.00000000 0.00000000 0.00000000
|
|
66 0.00000000 0.00000000 1.55200704 -0.55813379 -0.53462918
|
|
67 -0.53611694 0.52397178 0.00000000 0.00000000 0.00000000
|
|
68 -0.48431482 -0.49073794 0.00000000 0.00000000 0.00000000
|
|
69 0.01041984 0.05889463 0.00000000 0.00000000 0.00000000
|
|
70 0.00000000 0.00000000 -0.00210165 -0.00845332 0.00201903
|
|
71 0.00000000 0.00000000 -0.00046238 0.01830157 -0.03037662
|
|
72 -0.07816373 -0.03403425 0.00000000 0.00000000 0.00000000
|
|
73 -0.08029951 -0.07524549 0.00000000 0.00000000 0.00000000
|
|
74 -0.03123530 -0.00178270 0.00000000 0.00000000 0.00000000
|
|
75 -0.77264806 1.26375257 0.00000000 0.00000000 0.00000000
|
|
76 0.00000000 0.00000000 -0.51930782 0.97595727 0.44756087
|
|
77 0.00000000 0.00000000 -0.46181742 -0.21838595 0.94009479
|
|
78 -1.27076707 0.65758631 0.00000000 0.00000000 0.00000000
|
|
79 -0.45073334 -0.32328070 0.00000000 0.00000000 0.00000000
|
|
80 -1.26553877 1.43882415 0.00000000 0.00000000 0.00000000
|
|
81 0.03715080 0.32129386 0.00000000 0.00000000 0.00000000
|
|
82 7.87868783 2.12128793 0.00000000 0.00000000 0.00000000
|
|
83 -4.77198755 -5.63385927 0.00000000 0.00000000 0.00000000
|
|
84 0.39661440 -0.33486485 0.00000000 0.00000000 0.00000000
|
|
85 0.00000000 0.00000000 -0.03628345 0.01988592 0.00168583
|
|
86 0.02877589 -0.02938580 0.00000000 0.00000000 0.00000000
|
|
87 -0.01538020 0.03743158 0.00000000 0.00000000 0.00000000
|
|
88 0.00000000 0.00000000 0.49139639 -0.37175864 0.04373493
|
|
89 1.64133304 -0.69093722 0.00000000 0.00000000 0.00000000
|
|
90 -1.36134053 0.24528836 0.00000000 0.00000000 0.00000000
|
|
91 0.00000000 0.00000000 1.55200704 -0.55813379 0.53462918
|
|
92 -0.53611694 -0.52397178 0.00000000 0.00000000 0.00000000
|
|
93 0.48431482 -0.49073794 0.00000000 0.00000000 0.00000000
|
|
94 -0.01041984 0.05889463 0.00000000 0.00000000 0.00000000
|
|
95 0.00000000 0.00000000 0.00210165 0.00845332 0.00201903
|
|
96 0.00000000 0.00000000 -0.00046238 0.01830157 0.03037662
|
|
97 0.07816373 -0.03403425 0.00000000 0.00000000 0.00000000
|
|
98 -0.08029951 0.07524549 0.00000000 0.00000000 0.00000000
|
|
99 0.03123530 -0.00178270 0.00000000 0.00000000 0.00000000
|
|
100 0.77264806 1.26375257 0.00000000 0.00000000 0.00000000
|
|
101 0.00000000 0.00000000 0.51930782 -0.97595727 0.44756087
|
|
102 0.00000000 0.00000000 -0.46181742 -0.21838595 -0.94009479
|
|
103 1.27076707 0.65758631 0.00000000 0.00000000 0.00000000
|
|
104 -0.45073334 0.32328070 0.00000000 0.00000000 0.00000000
|
|
105 1.26553877 1.43882415 0.00000000 0.00000000 0.00000000
|
|
31 32 33 34 35
|
|
1 0.00000000 0.03575356 0.00000000 0.11164511 0.00000000
|
|
2 0.00000000 0.08609902 0.00000000 0.05284289 0.00000000
|
|
3 0.00000000 0.08099247 0.00000000 0.11796952 0.00000000
|
|
4 -0.00000000 -4.44330549 0.00000000 10.28397144 0.00000000
|
|
5 0.00000000 2.15352500 0.00000000 9.07202307 0.00000000
|
|
6 0.00000000 0.00000000 0.15955365 0.00000000 0.00000000
|
|
7 -0.19468921 0.00000000 0.00000000 0.00000000 -0.72704812
|
|
8 0.00000000 0.00347711 0.00000000 -0.54206798 0.00000000
|
|
9 0.00000000 0.00000000 0.26001434 0.00000000 0.00000000
|
|
10 0.09001030 0.00000000 0.00000000 0.00000000 0.24122774
|
|
11 0.00000000 -0.22977612 0.00000000 0.36187414 0.00000000
|
|
12 0.00000000 0.00000000 0.89648438 0.00000000 0.00000000
|
|
13 5.39485332 -0.00000000 0.00000000 0.00000000 -0.26317188
|
|
14 -0.00000000 -2.15302228 0.00000000 2.37711815 0.00000000
|
|
15 0.00000000 0.00000000 0.40780951 0.00000000 0.00000000
|
|
16 3.09691026 -0.00000000 0.00000000 -0.00000000 0.40003183
|
|
17 0.00000000 0.29734636 0.00000000 0.63273945 0.00000000
|
|
18 0.00000000 0.01285276 0.00000000 0.02016980 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 -0.03338627 0.00000000 0.00000000
|
|
21 0.00000000 0.00823429 0.00000000 -0.00555163 0.00000000
|
|
22 -0.00635077 0.00000000 0.00000000 0.00000000 0.01217310
|
|
23 0.00000000 -0.00633731 0.00000000 -0.01596653 0.00000000
|
|
24 0.00000000 0.12733974 0.00000000 -0.02308844 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.17160479 0.00000000 0.00000000
|
|
27 0.00000000 -0.02692977 0.00000000 0.44464608 0.00000000
|
|
28 0.07166704 0.00000000 0.00000000 0.00000000 0.23848942
|
|
29 0.00000000 0.04866165 0.00000000 0.30145934 0.00000000
|
|
30 0.00000000 2.04626891 0.00000000 0.78081399 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 -0.75663015 0.00000000 0.00000000
|
|
33 0.00000000 -0.87362532 0.00000000 0.68771161 0.00000000
|
|
34 0.80522813 0.00000000 0.00000000 0.00000000 -1.71357736
|
|
35 -0.00000000 -1.53118465 0.00000000 0.65385596 0.00000000
|
|
36 0.00000000 0.00000000 0.04936560 0.00000000 0.00000000
|
|
37 0.00760368 0.00000000 0.00000000 0.00000000 -0.05213369
|
|
38 0.00000000 -0.03277257 0.00000000 -0.02159691 0.00000000
|
|
39 0.00000000 0.00000000 -0.00090034 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.03316769 0.00000000 0.00000000
|
|
42 -0.01818012 0.00000000 0.00000000 0.00000000 -0.06001050
|
|
43 0.00000000 -0.02718206 0.00000000 -0.01030045 0.00000000
|
|
44 0.02062561 0.00000000 0.00000000 0.00000000 0.00043731
|
|
45 0.00000000 0.01473636 0.00000000 -0.05815140 0.00000000
|
|
46 0.00000000 0.00000000 0.45895570 0.00000000 0.00000000
|
|
47 -0.05384747 0.00000000 0.00000000 0.00000000 0.08445846
|
|
48 0.00000000 0.13220900 0.00000000 0.03815878 0.00000000
|
|
49 0.00000000 0.00000000 0.37111569 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.16547723 0.00000000 0.00000000
|
|
52 0.39020163 0.00000000 0.00000000 0.00000000 -0.06185271
|
|
53 0.00000000 -0.08971093 0.00000000 0.14017658 0.00000000
|
|
54 -0.14222689 0.00000000 0.00000000 0.00000000 -0.17919724
|
|
55 0.00000000 -0.35483498 0.00000000 0.19511137 0.00000000
|
|
56 0.25534564 -0.16234659 0.00000000 0.27493360 0.26128991
|
|
57 -1.79815037 3.77497263 0.00000000 -1.68522697 1.00514315
|
|
58 -2.32805286 -2.45843939 0.00000000 -7.62997309 -5.04690439
|
|
59 -0.79900105 -0.03067682 0.00000000 -0.42402650 -0.76465653
|
|
60 0.00000000 0.00000000 -0.01312074 0.00000000 0.00000000
|
|
61 0.03859840 -0.00614182 0.00000000 -0.00115044 -0.01991744
|
|
62 -0.02570208 -0.01303391 0.00000000 -0.00209499 0.00244321
|
|
63 0.00000000 0.00000000 -0.08221348 0.00000000 0.00000000
|
|
64 -0.14654767 -0.83006544 0.00000000 1.26417186 0.81571796
|
|
65 0.88113533 -0.17869457 0.00000000 0.86430259 0.69526617
|
|
66 0.00000000 0.00000000 -0.60777479 0.00000000 0.00000000
|
|
67 -2.13135026 0.47363081 0.00000000 2.50884064 2.57574410
|
|
68 2.56502323 0.28253689 0.00000000 2.02927632 1.54036323
|
|
69 0.04843854 -0.00158790 0.00000000 -0.00085848 -0.02371050
|
|
70 0.00000000 0.00000000 -0.00331124 0.00000000 0.00000000
|
|
71 0.00000000 0.00000000 -0.01052381 0.00000000 0.00000000
|
|
72 0.02002122 0.03570559 0.00000000 -0.03075739 -0.07719840
|
|
73 -0.00505398 0.03469743 0.00000000 -0.03636813 -0.05177952
|
|
74 0.00801800 -0.03771641 0.00000000 -0.01578836 -0.07340330
|
|
75 -0.04020974 -0.29057479 0.00000000 0.70892392 0.26635376
|
|
76 0.00000000 0.00000000 0.58889606 0.00000000 0.00000000
|
|
77 0.00000000 0.00000000 1.04143711 0.00000000 0.00000000
|
|
78 1.79282294 0.51805203 0.00000000 -0.71557299 -1.14588979
|
|
79 -0.62432196 -0.43705498 0.00000000 -0.95603580 -1.11032332
|
|
80 -0.97592783 1.18748026 0.00000000 -0.04820587 -0.43443282
|
|
81 -0.25534564 -0.16234659 0.00000000 0.27493360 -0.26128991
|
|
82 1.79815037 3.77497263 0.00000000 -1.68522697 -1.00514315
|
|
83 2.32805286 -2.45843939 0.00000000 -7.62997309 5.04690439
|
|
84 0.79900105 -0.03067682 0.00000000 -0.42402650 0.76465653
|
|
85 0.00000000 0.00000000 -0.01312074 0.00000000 0.00000000
|
|
86 0.03859840 0.00614182 0.00000000 0.00115044 -0.01991744
|
|
87 0.02570208 -0.01303391 0.00000000 -0.00209499 -0.00244321
|
|
88 0.00000000 0.00000000 -0.08221348 0.00000000 0.00000000
|
|
89 -0.14654767 0.83006544 0.00000000 -1.26417186 0.81571796
|
|
90 -0.88113533 -0.17869457 0.00000000 0.86430259 -0.69526617
|
|
91 0.00000000 0.00000000 -0.60777479 0.00000000 0.00000000
|
|
92 -2.13135026 -0.47363081 0.00000000 -2.50884064 2.57574410
|
|
93 -2.56502323 0.28253689 0.00000000 2.02927632 -1.54036323
|
|
94 -0.04843854 -0.00158790 0.00000000 -0.00085848 0.02371050
|
|
95 0.00000000 0.00000000 0.00331124 0.00000000 0.00000000
|
|
96 0.00000000 0.00000000 -0.01052381 0.00000000 0.00000000
|
|
97 -0.02002122 0.03570559 0.00000000 -0.03075739 0.07719840
|
|
98 -0.00505398 -0.03469743 0.00000000 0.03636813 -0.05177952
|
|
99 -0.00801800 -0.03771641 0.00000000 -0.01578836 0.07340330
|
|
100 0.04020974 -0.29057479 0.00000000 0.70892392 -0.26635376
|
|
101 0.00000000 0.00000000 -0.58889606 0.00000000 0.00000000
|
|
102 0.00000000 0.00000000 1.04143711 0.00000000 0.00000000
|
|
103 -1.79282294 0.51805203 0.00000000 -0.71557299 1.14588979
|
|
104 -0.62432196 0.43705498 0.00000000 0.95603580 -1.11032332
|
|
105 0.97592783 1.18748026 0.00000000 -0.04820587 0.43443282
|
|
36 37 38 39 40
|
|
1 0.00000000 0.01078517 0.00000000 0.00000000 -0.01641844
|
|
2 0.00000000 0.05409729 0.00000000 0.00000000 -0.17699024
|
|
3 0.00000000 0.02814330 0.00000000 0.00000000 -0.15112136
|
|
4 0.00000000 -4.53292514 0.00000000 0.00000000 -4.40681205
|
|
5 0.00000000 2.58483019 0.00000000 0.00000000 -13.26577233
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.16117070 0.00000000 -0.04750063 0.00000000 0.00000000
|
|
8 0.00000000 0.11418541 0.00000000 0.00000000 -0.09055520
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 -0.46487554 0.00000000 -1.37490587 0.00000000 -0.00000000
|
|
11 0.00000000 0.64441888 0.00000000 0.00000000 -0.39665205
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.79306502 -0.00000000 5.27888063 0.00000000 0.00000000
|
|
14 0.00000000 -9.15176213 0.00000000 0.00000000 -1.86262608
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.70565687 -0.00000000 -2.76691704 0.00000000 -0.00000000
|
|
17 0.00000000 0.13401153 0.00000000 0.00000000 -2.08384395
|
|
18 0.00000000 0.00544672 0.00000000 0.00000000 -0.04643175
|
|
19 0.00000000 0.00000000 0.00000000 0.02268202 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 -0.02895222 0.00000000 0.00000000 0.02199668
|
|
22 0.00412238 0.00000000 0.04866900 0.00000000 0.00000000
|
|
23 0.00000000 0.02784224 0.00000000 0.00000000 -0.00711577
|
|
24 0.00000000 0.01413575 0.00000000 0.00000000 -0.08584038
|
|
25 0.00000000 0.00000000 0.00000000 -0.09446996 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.14465510 0.00000000 0.00000000 -0.38588899
|
|
28 -0.13965355 0.00000000 -0.41423141 0.00000000 -0.00000000
|
|
29 0.00000000 -0.06858931 0.00000000 0.00000000 -0.19911235
|
|
30 0.00000000 -0.50308673 -0.00000000 0.00000000 0.36413788
|
|
31 0.00000000 0.00000000 0.00000000 1.40603685 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 -4.96457253 0.00000000 0.00000000 -2.10694065
|
|
34 -1.99080049 -0.00000000 1.55636173 0.00000000 0.00000000
|
|
35 0.00000000 -3.41520678 0.00000000 0.00000000 -0.53898759
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.01051114 0.00000000 -0.00458081 0.00000000 0.00000000
|
|
38 0.00000000 -0.01023868 0.00000000 0.00000000 -0.02003309
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00754428 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 -0.07095592 0.00000000 -0.06297299 0.00000000 0.00000000
|
|
43 0.00000000 0.04482259 0.00000000 0.00000000 0.01422749
|
|
44 -0.00025930 0.00000000 -0.03938159 0.00000000 0.00000000
|
|
45 0.00000000 0.03594346 0.00000000 0.00000000 -0.02028803
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 -0.37605531 0.00000000 -0.63442540 0.00000000 -0.00000000
|
|
48 0.00000000 0.54988883 0.00000000 0.00000000 -0.05093470
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 -0.02279496 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 -0.37754601 0.00000000 -1.34879842 0.00000000 -0.00000000
|
|
53 0.00000000 0.10308415 0.00000000 0.00000000 -0.52615173
|
|
54 -0.51041848 0.00000000 -0.69855938 0.00000000 -0.00000000
|
|
55 0.00000000 0.88000922 0.00000000 0.00000000 -0.24087835
|
|
56 0.01186393 0.04444337 -0.21000723 0.00000000 -0.10389791
|
|
57 2.95783482 6.43123570 -3.34416701 0.00000000 1.13793140
|
|
58 -7.72413250 -2.86488022 16.19328124 0.00000000 13.54543115
|
|
59 -0.33467984 -0.01591908 0.87155415 0.00000000 0.16438834
|
|
60 0.00000000 0.00000000 0.00000000 0.01477474 0.00000000
|
|
61 -0.01582475 0.00130287 -0.04325786 0.00000000 -0.03781182
|
|
62 0.00394984 -0.00901130 -0.04460244 0.00000000 -0.03486270
|
|
63 0.00000000 0.00000000 0.00000000 -0.12818437 0.00000000
|
|
64 -0.53866024 -0.13629247 -1.01777127 0.00000000 -0.27910920
|
|
65 -0.03985951 0.13609589 -0.44265099 0.00000000 -0.59046210
|
|
66 0.00000000 0.00000000 0.00000000 0.35441323 0.00000000
|
|
67 2.24425610 0.07300988 -3.31544630 0.00000000 -1.46196100
|
|
68 0.64121734 0.60842227 -1.65215912 0.00000000 -1.34359498
|
|
69 -0.02572685 0.03192330 -0.13207337 0.00000000 -0.13278080
|
|
70 0.00000000 0.00000000 0.00000000 0.04182231 0.00000000
|
|
71 0.00000000 0.00000000 0.00000000 -0.03768785 0.00000000
|
|
72 0.03695745 0.00084587 -0.06963839 0.00000000 -0.16534397
|
|
73 -0.01759113 0.00993499 0.04860603 0.00000000 0.02356070
|
|
74 0.00988549 0.02906584 -0.11414855 0.00000000 -0.11564317
|
|
75 1.48959191 1.90747720 -3.46408340 0.00000000 -2.32456998
|
|
76 0.00000000 0.00000000 0.00000000 -1.33666908 0.00000000
|
|
77 0.00000000 0.00000000 0.00000000 0.71146539 0.00000000
|
|
78 0.39191743 1.77601267 -1.59122702 0.00000000 -1.97678807
|
|
79 0.82050301 -1.51839712 1.27631270 0.00000000 -0.01277999
|
|
80 -0.39104073 0.80588064 -2.65878478 0.00000000 -2.06068101
|
|
81 -0.01186393 0.04444337 0.21000723 0.00000000 -0.10389791
|
|
82 -2.95783482 6.43123570 3.34416701 0.00000000 1.13793140
|
|
83 7.72413250 -2.86488022 -16.19328125 0.00000000 13.54543114
|
|
84 0.33467984 -0.01591908 -0.87155415 0.00000000 0.16438834
|
|
85 0.00000000 0.00000000 0.00000000 -0.01477474 0.00000000
|
|
86 -0.01582475 -0.00130287 -0.04325786 0.00000000 0.03781182
|
|
87 -0.00394984 -0.00901130 0.04460244 0.00000000 -0.03486270
|
|
88 0.00000000 0.00000000 0.00000000 0.12818437 0.00000000
|
|
89 -0.53866024 0.13629247 -1.01777127 0.00000000 0.27910920
|
|
90 0.03985951 0.13609589 0.44265099 0.00000000 -0.59046210
|
|
91 0.00000000 0.00000000 0.00000000 -0.35441323 0.00000000
|
|
92 2.24425610 -0.07300988 -3.31544630 0.00000000 1.46196100
|
|
93 -0.64121734 0.60842227 1.65215912 0.00000000 -1.34359498
|
|
94 0.02572685 0.03192330 0.13207337 0.00000000 -0.13278080
|
|
95 0.00000000 0.00000000 0.00000000 0.04182231 0.00000000
|
|
96 0.00000000 0.00000000 0.00000000 0.03768785 0.00000000
|
|
97 -0.03695745 0.00084587 0.06963839 0.00000000 -0.16534397
|
|
98 -0.01759113 -0.00993499 0.04860603 0.00000000 -0.02356070
|
|
99 -0.00988549 0.02906584 0.11414855 0.00000000 -0.11564317
|
|
100 -1.48959191 1.90747720 3.46408340 0.00000000 -2.32456997
|
|
101 0.00000000 0.00000000 0.00000000 -1.33666908 0.00000000
|
|
102 0.00000000 0.00000000 0.00000000 -0.71146539 0.00000000
|
|
103 -0.39191743 1.77601267 1.59122703 0.00000000 -1.97678807
|
|
104 0.82050301 1.51839712 1.27631270 0.00000000 0.01278000
|
|
105 0.39104073 0.80588064 2.65878478 0.00000000 -2.06068100
|
|
41 42 43 44 45
|
|
1 0.05158322 -0.00000000 0.00000000 -0.02556010 0.00000000
|
|
2 0.13313815 -0.00000000 0.00000000 -0.14622632 0.00000000
|
|
3 -0.03982620 0.00000000 0.00000000 -0.06345891 0.00000000
|
|
4 4.97351038 -0.00000002 0.00000000 -4.22379218 0.00000000
|
|
5 -3.36184479 0.00000001 0.00000000 -2.05269249 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.18557233
|
|
7 -0.00000000 -0.43045985 0.00000000 0.00000000 0.00000000
|
|
8 -0.42041345 0.00000000 0.00000000 -0.12255222 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.34665669
|
|
10 -0.00000001 -1.78307344 0.00000000 0.00000000 0.00000000
|
|
11 -1.74878988 0.00000001 0.00000000 -0.35368928 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 4.88448690
|
|
13 0.00000007 20.66157151 0.00000000 0.00000000 0.00000000
|
|
14 11.42107969 -0.00000004 0.00000000 -6.47546492 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.82619309
|
|
16 0.00000000 0.40057742 0.00000000 0.00000000 0.00000000
|
|
17 -0.62539595 0.00000000 0.00000000 -1.06419706 0.00000000
|
|
18 -0.03162664 0.00000000 0.00000000 -0.01620303 0.00000000
|
|
19 0.00000000 0.00000000 0.04146212 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 -0.03033827
|
|
21 -0.03077747 0.00000000 0.00000000 -0.03131496 0.00000000
|
|
22 0.00000000 -0.01064646 0.00000000 0.00000000 0.00000000
|
|
23 0.01107623 0.00000000 0.00000000 0.03957350 0.00000000
|
|
24 0.02811386 -0.00000000 0.00000000 -0.02890911 0.00000000
|
|
25 0.00000000 0.00000000 -0.08938357 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00854621
|
|
27 -0.08669250 0.00000000 0.00000000 -0.05875678 0.00000000
|
|
28 0.00000000 0.10586902 0.00000000 0.00000000 0.00000000
|
|
29 -0.24545685 0.00000000 0.00000000 -0.20439481 0.00000000
|
|
30 1.95030260 -0.00000001 0.00000000 -0.16044875 0.00000000
|
|
31 0.00000000 0.00000000 -2.67623152 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 2.09376486
|
|
33 7.25784008 -0.00000003 0.00000000 1.55823281 0.00000000
|
|
34 0.00000003 8.13832380 0.00000000 0.00000000 0.00000000
|
|
35 4.73702201 -0.00000002 0.00000000 -3.72683551 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.01312291
|
|
37 0.00000000 -0.01224516 0.00000000 0.00000000 0.00000000
|
|
38 -0.03364291 0.00000000 0.00000000 -0.00969671 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 -0.01440706
|
|
40 0.00000000 0.00000000 0.02646949 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 -0.00088264
|
|
42 -0.00000000 -0.07433380 0.00000000 0.00000000 0.00000000
|
|
43 -0.08512888 0.00000000 0.00000000 -0.02614484 0.00000000
|
|
44 -0.00000000 -0.07356521 0.00000000 0.00000000 0.00000000
|
|
45 -0.07678136 0.00000000 0.00000000 -0.00917646 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.06434884
|
|
47 -0.00000000 -1.36203086 0.00000000 0.00000000 0.00000000
|
|
48 -1.09512604 0.00000000 0.00000000 0.00306786 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.36851872
|
|
50 0.00000000 0.00000000 -0.37954256 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.16743502
|
|
52 -0.00000001 -2.63656879 0.00000000 0.00000000 0.00000000
|
|
53 -0.75519109 0.00000000 0.00000000 0.00041300 0.00000000
|
|
54 -0.00000000 -0.60423073 0.00000000 0.00000000 0.00000000
|
|
55 -2.46833275 0.00000001 0.00000000 -0.48300473 0.00000000
|
|
56 0.05930423 0.27024779 0.00000000 -0.32906439 0.00000000
|
|
57 -8.48234996 -13.41679580 0.00000000 3.41128471 0.00000000
|
|
58 3.76912396 -0.67403325 0.00000000 1.95116092 0.00000000
|
|
59 0.02078633 -0.36330778 0.00000000 0.01615777 0.00000000
|
|
60 0.00000000 0.00000000 -0.06083495 0.00000000 0.08772920
|
|
61 -0.01010491 0.05362229 0.00000000 0.04317629 0.00000000
|
|
62 0.02188723 0.00137028 0.00000000 -0.06228899 0.00000000
|
|
63 0.00000000 0.00000000 2.32504491 0.00000000 -2.43683899
|
|
64 -0.46704396 0.49833278 0.00000000 -2.29520443 0.00000000
|
|
65 -0.12095331 -0.02836678 0.00000000 1.64099725 0.00000000
|
|
66 0.00000000 0.00000000 1.23018299 0.00000000 -1.30156209
|
|
67 -0.80703032 0.68124440 0.00000000 -0.73795166 0.00000000
|
|
68 0.17898221 -0.29904257 0.00000000 0.78459180 0.00000000
|
|
69 0.01466931 0.06392820 0.00000000 -0.09159142 0.00000000
|
|
70 0.00000000 0.00000000 -0.05274467 0.00000000 0.04653752
|
|
71 0.00000000 0.00000000 -0.04115845 0.00000000 0.02367779
|
|
72 0.00565410 -0.00373773 0.00000000 0.07456050 0.00000000
|
|
73 0.00450736 -0.02645719 0.00000000 -0.02644708 0.00000000
|
|
74 -0.00385952 0.06640074 0.00000000 -0.08438711 0.00000000
|
|
75 -3.48622710 -3.36840756 0.00000000 0.37797335 0.00000000
|
|
76 0.00000000 0.00000000 -0.85902929 0.00000000 1.10680794
|
|
77 0.00000000 0.00000000 -0.98994795 0.00000000 0.78556449
|
|
78 -0.35300187 -1.49565337 0.00000000 0.34594786 0.00000000
|
|
79 1.32552178 1.60981386 0.00000000 -0.28559992 0.00000000
|
|
80 -2.91176965 -0.90792224 0.00000000 -0.91679068 0.00000000
|
|
81 0.05930422 -0.27024779 0.00000000 -0.32906439 0.00000000
|
|
82 -8.48234987 13.41679586 0.00000000 3.41128471 0.00000000
|
|
83 3.76912396 0.67403323 0.00000000 1.95116092 0.00000000
|
|
84 0.02078633 0.36330778 0.00000000 0.01615777 0.00000000
|
|
85 0.00000000 0.00000000 0.06083495 0.00000000 0.08772920
|
|
86 0.01010491 0.05362229 0.00000000 -0.04317629 0.00000000
|
|
87 0.02188723 -0.00137028 0.00000000 -0.06228899 0.00000000
|
|
88 0.00000000 0.00000000 -2.32504491 0.00000000 -2.43683899
|
|
89 0.46704396 0.49833277 0.00000000 2.29520443 0.00000000
|
|
90 -0.12095331 0.02836678 0.00000000 1.64099725 0.00000000
|
|
91 0.00000000 0.00000000 -1.23018299 0.00000000 -1.30156209
|
|
92 0.80703032 0.68124439 0.00000000 0.73795166 0.00000000
|
|
93 0.17898222 0.29904257 0.00000000 0.78459180 0.00000000
|
|
94 0.01466931 -0.06392820 0.00000000 -0.09159142 0.00000000
|
|
95 0.00000000 0.00000000 -0.05274467 0.00000000 -0.04653752
|
|
96 0.00000000 0.00000000 0.04115845 0.00000000 0.02367779
|
|
97 0.00565410 0.00373773 0.00000000 0.07456050 0.00000000
|
|
98 -0.00450736 -0.02645719 0.00000000 0.02644708 0.00000000
|
|
99 -0.00385952 -0.06640074 0.00000000 -0.08438711 0.00000000
|
|
100 -3.48622708 3.36840758 0.00000000 0.37797335 0.00000000
|
|
101 0.00000000 0.00000000 -0.85902929 0.00000000 -1.10680794
|
|
102 0.00000000 0.00000000 0.98994795 0.00000000 0.78556449
|
|
103 -0.35300186 1.49565337 0.00000000 0.34594786 0.00000000
|
|
104 -1.32552176 1.60981387 0.00000000 0.28559992 0.00000000
|
|
105 -2.91176965 0.90792226 0.00000000 -0.91679068 0.00000000
|
|
46 47 48 49 50
|
|
1 -0.11632319 0.00000000 0.00000000 0.00000000 0.29135465
|
|
2 -0.37422594 0.00000000 0.00000000 0.00000000 1.31008559
|
|
3 -0.27228123 0.00000000 0.00000000 0.00000000 1.38515003
|
|
4 24.56508898 0.00000000 -0.00000000 0.00000000 -11.07164798
|
|
5 2.40349120 0.00000000 0.00000000 0.00000000 -4.41880275
|
|
6 0.00000000 0.00000000 0.00000000 -0.45264881 0.00000000
|
|
7 0.00000000 -0.18026104 0.00242009 0.00000000 0.00000000
|
|
8 0.12716066 0.00000000 0.00000000 0.00000000 -0.44984258
|
|
9 0.00000000 0.00000000 0.00000000 -0.45734449 0.00000000
|
|
10 0.00000000 -1.95960569 2.63944311 0.00000000 0.00000000
|
|
11 3.11493834 0.00000000 -0.00000000 0.00000000 -0.88451176
|
|
12 0.00000000 0.00000000 0.00000000 -3.01627230 0.00000000
|
|
13 -0.00000000 -9.23732233 -3.92601370 0.00000000 0.00000000
|
|
14 1.24918106 0.00000000 -0.00000000 0.00000000 -4.01844048
|
|
15 0.00000000 0.00000000 0.00000000 0.33982971 0.00000000
|
|
16 0.00000000 -1.38749848 -1.08438461 0.00000000 0.00000000
|
|
17 0.24851334 0.00000000 0.00000000 0.00000000 -0.20100676
|
|
18 0.04790559 0.00000000 0.00000000 0.00000000 0.15661641
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 -0.01360292 0.00000000
|
|
21 -0.06428611 0.00000000 0.00000000 0.00000000 0.11992941
|
|
22 0.00000000 0.03208741 -0.05903494 0.00000000 0.00000000
|
|
23 -0.02662656 0.00000000 0.00000000 0.00000000 0.12017584
|
|
24 -0.64654754 0.00000000 0.00000000 0.00000000 1.80485780
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 -0.26450566 0.00000000
|
|
27 0.70146577 0.00000000 0.00000000 0.00000000 1.23248415
|
|
28 0.00000000 -0.61110398 0.79225543 0.00000000 0.00000000
|
|
29 0.14195817 0.00000000 0.00000000 0.00000000 1.28046451
|
|
30 -3.54601983 0.00000000 0.00000000 0.00000000 1.86907250
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.22777763 0.00000000
|
|
33 -1.18481315 0.00000000 0.00000000 0.00000000 1.77314084
|
|
34 0.00000000 -2.93968786 0.18252998 0.00000000 0.00000000
|
|
35 -1.87310652 0.00000000 0.00000000 0.00000000 1.67320135
|
|
36 0.00000000 0.00000000 0.00000000 0.33354498 0.00000000
|
|
37 0.00000000 -0.02435475 0.05694736 0.00000000 0.00000000
|
|
38 0.04498520 0.00000000 0.00000000 0.00000000 0.13230222
|
|
39 0.00000000 0.00000000 0.00000000 0.13638461 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.14718235 0.00000000
|
|
42 0.00000000 -0.07318929 0.16178673 0.00000000 0.00000000
|
|
43 0.13282505 0.00000000 0.00000000 0.00000000 -0.04359193
|
|
44 0.00000000 -0.08089829 0.07616619 0.00000000 0.00000000
|
|
45 0.14431350 0.00000000 0.00000000 0.00000000 0.19655368
|
|
46 0.00000000 0.00000000 0.00000000 2.16318190 0.00000000
|
|
47 0.00000000 -0.58988802 1.06918768 0.00000000 0.00000000
|
|
48 1.22158304 0.00000000 0.00000000 0.00000000 0.54071079
|
|
49 0.00000000 0.00000000 0.00000000 1.20550351 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 1.02334740 0.00000000
|
|
52 0.00000000 -2.16749450 3.02921623 0.00000000 0.00000000
|
|
53 2.14019235 0.00000000 -0.00000000 0.00000000 1.09225952
|
|
54 0.00000000 -0.67199067 1.67853975 0.00000000 0.00000000
|
|
55 3.08908171 0.00000000 -0.00000000 0.00000000 1.61807659
|
|
56 -0.64967634 0.21469246 -0.94734700 0.00000000 0.05834198
|
|
57 -10.94039485 9.46383253 -5.32807862 0.00000000 1.84133230
|
|
58 -0.25037856 -0.56557446 3.37123266 0.00000000 1.39498040
|
|
59 -0.16867827 0.50907911 -0.02723532 0.00000000 0.25281519
|
|
60 0.00000000 0.00000000 0.00000000 -0.01148148 0.00000000
|
|
61 0.06559227 -0.07504168 0.02012893 0.00000000 -0.03816801
|
|
62 0.06647966 0.03306846 0.05611725 0.00000000 -0.02944315
|
|
63 0.00000000 0.00000000 0.00000000 -0.25341033 0.00000000
|
|
64 4.97406577 -1.05544294 3.98658416 0.00000000 -1.05729186
|
|
65 3.60333176 -4.04971906 1.74192168 0.00000000 -0.73092720
|
|
66 0.00000000 0.00000000 0.00000000 0.10528899 0.00000000
|
|
67 0.21601657 1.26109775 0.62168736 0.00000000 -0.30714075
|
|
68 0.16430665 -1.49125922 -0.85242827 0.00000000 -0.08193787
|
|
69 0.03762040 -0.05148139 -0.06179277 0.00000000 -0.05959725
|
|
70 0.00000000 0.00000000 0.00000000 0.04439942 0.00000000
|
|
71 0.00000000 0.00000000 0.00000000 0.01883157 0.00000000
|
|
72 -0.23167061 0.07468296 -0.19701130 0.00000000 0.14888957
|
|
73 -0.19699848 0.10885545 -0.14599496 0.00000000 0.21545184
|
|
74 -0.14272265 0.07487307 -0.11299795 0.00000000 0.08408519
|
|
75 0.19701184 1.01074923 -0.07036491 0.00000000 0.21744795
|
|
76 0.00000000 0.00000000 0.00000000 0.03172764 0.00000000
|
|
77 0.00000000 0.00000000 0.00000000 0.05353699 0.00000000
|
|
78 -0.80375179 -0.73653903 -2.04984955 0.00000000 0.20465945
|
|
79 -0.87159081 1.03252151 -0.48506815 0.00000000 0.09320242
|
|
80 -0.28714605 1.67625124 -0.53322378 0.00000000 0.21292106
|
|
81 -0.64967634 -0.21469246 0.94734700 0.00000000 0.05834198
|
|
82 -10.94039485 -9.46383253 5.32807862 0.00000000 1.84133230
|
|
83 -0.25037856 0.56557446 -3.37123266 0.00000000 1.39498040
|
|
84 -0.16867827 -0.50907911 0.02723532 0.00000000 0.25281519
|
|
85 0.00000000 0.00000000 0.00000000 -0.01148148 0.00000000
|
|
86 -0.06559227 -0.07504168 0.02012893 0.00000000 0.03816801
|
|
87 0.06647966 -0.03306846 -0.05611725 0.00000000 -0.02944315
|
|
88 0.00000000 0.00000000 0.00000000 -0.25341033 0.00000000
|
|
89 -4.97406577 -1.05544294 3.98658416 0.00000000 1.05729186
|
|
90 3.60333176 4.04971906 -1.74192168 0.00000000 -0.73092720
|
|
91 0.00000000 0.00000000 0.00000000 0.10528899 0.00000000
|
|
92 -0.21601657 1.26109775 0.62168736 0.00000000 0.30714075
|
|
93 0.16430665 1.49125922 0.85242827 0.00000000 -0.08193787
|
|
94 0.03762040 0.05148139 0.06179277 0.00000000 -0.05959725
|
|
95 0.00000000 0.00000000 0.00000000 -0.04439942 0.00000000
|
|
96 0.00000000 0.00000000 0.00000000 0.01883157 0.00000000
|
|
97 -0.23167061 -0.07468296 0.19701130 0.00000000 0.14888957
|
|
98 0.19699848 0.10885545 -0.14599496 0.00000000 -0.21545184
|
|
99 -0.14272265 -0.07487307 0.11299795 0.00000000 0.08408519
|
|
100 0.19701184 -1.01074923 0.07036491 0.00000000 0.21744795
|
|
101 0.00000000 0.00000000 0.00000000 -0.03172764 0.00000000
|
|
102 0.00000000 0.00000000 0.00000000 0.05353699 0.00000000
|
|
103 -0.80375179 0.73653903 2.04984955 0.00000000 0.20465945
|
|
104 0.87159081 1.03252151 -0.48506815 0.00000000 -0.09320242
|
|
105 -0.28714605 -1.67625124 0.53322378 0.00000000 0.21292106
|
|
51 52 53 54 55
|
|
1 0.00000000 0.00000000 0.00000000 0.10815176 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 0.50084689 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.13579463 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 2.62258755 0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 -2.33762345 0.00000000
|
|
6 0.00000000 0.17013741 0.00000000 0.00000000 0.01210318
|
|
7 0.57958200 0.00000000 0.00000000 0.00000000 0.00000000
|
|
8 0.00000000 0.00000000 0.00000000 0.12893193 0.00000000
|
|
9 0.00000000 0.03772058 0.00000000 0.00000000 0.01505531
|
|
10 0.16409412 0.00000000 0.00000000 0.00000000 0.00000000
|
|
11 0.00000000 0.00000000 0.00000000 -0.03268010 0.00000000
|
|
12 0.00000000 1.39310019 0.00000000 0.00000000 0.77771269
|
|
13 5.05416423 0.00000000 0.00000000 0.00000000 0.00000000
|
|
14 0.00000000 0.00000000 0.00000000 2.43726910 0.00000000
|
|
15 0.00000000 0.26960167 0.00000000 0.00000000 0.15904367
|
|
16 0.03850572 0.00000000 0.00000000 0.00000000 0.00000000
|
|
17 0.00000000 0.00000000 0.00000000 -0.34243168 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 -0.00164211 0.00000000
|
|
19 0.00000000 0.00000000 -0.01428066 0.00000000 0.00000000
|
|
20 0.00000000 -0.00341559 0.00000000 0.00000000 -0.00814349
|
|
21 0.00000000 0.00000000 0.00000000 0.01114342 0.00000000
|
|
22 0.03621717 0.00000000 0.00000000 0.00000000 0.00000000
|
|
23 0.00000000 0.00000000 0.00000000 -0.01377401 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.21561970 0.00000000
|
|
25 0.00000000 0.00000000 -0.79042903 0.00000000 0.00000000
|
|
26 0.00000000 -0.80599030 0.00000000 0.00000000 -0.09881180
|
|
27 0.00000000 0.00000000 0.00000000 0.23768403 0.00000000
|
|
28 -0.05496623 0.00000000 0.00000000 0.00000000 0.00000000
|
|
29 0.00000000 0.00000000 0.00000000 -0.36184521 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.30957756 0.00000000
|
|
31 0.00000000 0.00000000 0.91355636 0.00000000 0.00000000
|
|
32 0.00000000 0.69755052 0.00000000 0.00000000 1.07361776
|
|
33 0.00000000 0.00000000 0.00000000 0.76810396 0.00000000
|
|
34 -0.24391634 0.00000000 0.00000000 0.00000000 0.00000000
|
|
35 0.00000000 0.00000000 0.00000000 1.80001645 0.00000000
|
|
36 0.00000000 -0.00895162 0.00000000 0.00000000 0.07021548
|
|
37 -0.12916868 0.00000000 0.00000000 0.00000000 0.00000000
|
|
38 0.00000000 0.00000000 0.00000000 0.09796225 0.00000000
|
|
39 0.00000000 -0.12468773 0.00000000 0.00000000 0.05951124
|
|
40 0.00000000 0.00000000 -0.08517446 0.00000000 0.00000000
|
|
41 0.00000000 -0.05552607 0.00000000 0.00000000 -0.14276171
|
|
42 -0.20935720 0.00000000 0.00000000 0.00000000 0.00000000
|
|
43 0.00000000 0.00000000 0.00000000 0.00946761 0.00000000
|
|
44 -0.07462204 0.00000000 0.00000000 0.00000000 0.00000000
|
|
45 0.00000000 0.00000000 0.00000000 -0.13739858 0.00000000
|
|
46 0.00000000 -1.53738618 0.00000000 0.00000000 -0.58973085
|
|
47 -0.72281370 0.00000000 0.00000000 0.00000000 0.00000000
|
|
48 0.00000000 0.00000000 0.00000000 -1.20456244 0.00000000
|
|
49 0.00000000 0.59109736 0.00000000 0.00000000 -0.53826590
|
|
50 0.00000000 0.00000000 0.99935091 0.00000000 0.00000000
|
|
51 0.00000000 -0.24149286 0.00000000 0.00000000 1.46732668
|
|
52 -2.57458707 0.00000000 0.00000000 0.00000000 0.00000000
|
|
53 0.00000000 0.00000000 0.00000000 -0.77062147 0.00000000
|
|
54 -1.54900382 0.00000000 0.00000000 0.00000000 0.00000000
|
|
55 0.00000000 0.00000000 0.00000000 0.83726586 0.00000000
|
|
56 -1.00377622 0.00000000 0.00000000 -0.63760157 0.00000000
|
|
57 -0.24050043 0.00000000 0.00000000 -2.16458670 0.00000000
|
|
58 -2.98608773 0.00000000 0.00000000 2.48351772 0.00000000
|
|
59 -0.36979035 0.00000000 0.00000000 0.01215306 0.00000000
|
|
60 0.00000000 -0.05330883 -0.07393525 0.00000000 -0.01718205
|
|
61 -0.09191132 0.00000000 0.00000000 -0.01905229 0.00000000
|
|
62 -0.04553889 0.00000000 0.00000000 -0.07369534 0.00000000
|
|
63 0.00000000 -0.16902828 -0.26591173 0.00000000 -0.53791895
|
|
64 1.00702097 0.00000000 0.00000000 0.67086899 0.00000000
|
|
65 0.38295730 0.00000000 0.00000000 0.07222235 0.00000000
|
|
66 0.00000000 -0.33750737 -0.18969234 0.00000000 -0.19250072
|
|
67 1.73571625 0.00000000 0.00000000 -0.11610362 0.00000000
|
|
68 0.85419045 0.00000000 0.00000000 -0.09934040 0.00000000
|
|
69 -0.06763682 0.00000000 0.00000000 -0.05277217 0.00000000
|
|
70 0.00000000 0.05713724 0.05936799 0.00000000 0.01394397
|
|
71 0.00000000 0.01256300 0.07829440 0.00000000 0.01013941
|
|
72 -0.11594302 0.00000000 0.00000000 -0.12761914 0.00000000
|
|
73 -0.05378151 0.00000000 0.00000000 0.04138564 0.00000000
|
|
74 -0.11873007 0.00000000 0.00000000 -0.00171406 0.00000000
|
|
75 -0.69363387 0.00000000 0.00000000 -0.55935438 0.00000000
|
|
76 0.00000000 -0.21827402 -0.19437823 0.00000000 0.37875707
|
|
77 0.00000000 -0.03146456 -0.17115535 0.00000000 -0.35574524
|
|
78 -1.40697060 0.00000000 0.00000000 -0.72167500 0.00000000
|
|
79 -0.20981990 0.00000000 0.00000000 0.17114945 0.00000000
|
|
80 -0.77673534 0.00000000 0.00000000 -1.31347152 0.00000000
|
|
81 1.00377622 0.00000000 0.00000000 -0.63760157 0.00000000
|
|
82 0.24050043 0.00000000 0.00000000 -2.16458670 0.00000000
|
|
83 2.98608773 0.00000000 0.00000000 2.48351772 0.00000000
|
|
84 0.36979035 0.00000000 0.00000000 0.01215306 0.00000000
|
|
85 0.00000000 -0.05330883 0.07393525 0.00000000 -0.01718205
|
|
86 -0.09191132 0.00000000 0.00000000 0.01905229 0.00000000
|
|
87 0.04553889 0.00000000 0.00000000 -0.07369534 0.00000000
|
|
88 0.00000000 -0.16902828 0.26591173 0.00000000 -0.53791895
|
|
89 1.00702097 0.00000000 0.00000000 -0.67086899 0.00000000
|
|
90 -0.38295730 0.00000000 0.00000000 0.07222235 0.00000000
|
|
91 0.00000000 -0.33750737 0.18969234 0.00000000 -0.19250072
|
|
92 1.73571625 0.00000000 0.00000000 0.11610362 0.00000000
|
|
93 -0.85419045 0.00000000 0.00000000 -0.09934040 0.00000000
|
|
94 0.06763682 0.00000000 0.00000000 -0.05277217 0.00000000
|
|
95 0.00000000 -0.05713724 0.05936799 0.00000000 -0.01394397
|
|
96 0.00000000 0.01256300 -0.07829440 0.00000000 0.01013941
|
|
97 0.11594302 0.00000000 0.00000000 -0.12761914 0.00000000
|
|
98 -0.05378151 0.00000000 0.00000000 -0.04138564 0.00000000
|
|
99 0.11873007 0.00000000 0.00000000 -0.00171406 0.00000000
|
|
100 0.69363387 0.00000000 0.00000000 -0.55935438 0.00000000
|
|
101 0.00000000 0.21827402 -0.19437823 0.00000000 -0.37875707
|
|
102 0.00000000 -0.03146456 0.17115535 0.00000000 -0.35574524
|
|
103 1.40697060 0.00000000 0.00000000 -0.72167500 0.00000000
|
|
104 -0.20981990 0.00000000 0.00000000 -0.17114945 0.00000000
|
|
105 0.77673534 0.00000000 0.00000000 -1.31347152 0.00000000
|
|
56 57 58 59 60
|
|
1 0.67093305 0.00000000 -0.13509028 0.22271683 0.00000000
|
|
2 3.00668641 -0.00000000 -0.53807873 0.94777737 0.00000000
|
|
3 1.41617471 -0.00000000 -0.47225393 0.24222646 0.00000000
|
|
4 -3.15704181 -0.00000000 -7.02344120 1.30167704 0.00000000
|
|
5 -0.52602068 -0.00000000 -7.61760174 1.87895294 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.15455534 0.00000000 0.00000000 0.05530870
|
|
8 0.27893149 0.00000000 -0.12812058 0.15733653 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 -0.32824292 0.00000000 -0.00000000 1.95402242
|
|
11 -0.62015535 0.00000000 0.16800845 0.25413764 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 -0.00000000 13.07175744 -0.00000000 0.00000000 0.51879904
|
|
14 3.21968423 -0.00000000 -8.74294906 -3.89376803 -0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 1.38065057 -0.00000000 0.00000000 0.81026884
|
|
17 -0.34479418 -0.00000000 -1.12687554 -0.10278385 0.00000000
|
|
18 0.06292139 0.00000000 -0.05104861 -0.01524223 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.04510040 0.00000000 0.01623847 -0.02460923 0.00000000
|
|
22 0.00000000 -0.01395175 0.00000000 0.00000000 -0.03439915
|
|
23 0.05788842 0.00000000 -0.03606354 -0.01876153 0.00000000
|
|
24 0.88754920 0.00000000 -0.08520991 -0.08945569 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.46208233 -0.00000000 -1.15222423 1.59346600 0.00000000
|
|
28 0.00000000 0.63270530 -0.00000000 -0.00000000 1.89789080
|
|
29 1.40874032 -0.00000000 -0.56381654 -1.17232891 -0.00000000
|
|
30 3.57668941 -0.00000000 -0.84201178 0.31290153 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 3.31535370 -0.00000000 -5.34745409 0.56014387 0.00000000
|
|
34 0.00000000 3.98299457 -0.00000000 -0.00000000 1.52807211
|
|
35 3.08005473 -0.00000000 -3.40521295 -2.09986011 -0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.07518211 0.00000000 0.00000000 -0.07180720
|
|
38 -0.03111524 0.00000000 -0.02473374 -0.06590489 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 -0.14342851 0.00000000 0.00000000 0.20516649
|
|
43 -0.21377789 0.00000000 0.11736421 0.01824349 0.00000000
|
|
44 0.00000000 -0.02862696 0.00000000 0.00000000 0.05159388
|
|
45 -0.09675651 0.00000000 0.09493508 0.02494757 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 -2.27819398 0.00000000 -0.00000000 0.97620426
|
|
48 -0.32025668 0.00000000 1.48364357 0.70804568 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 -0.68142037 0.00000000 0.00000000 -0.39591070
|
|
53 -0.61767451 -0.00000000 -1.16375928 0.11353719 0.00000000
|
|
54 0.00000000 -0.20327626 0.00000000 -0.00000000 2.22754827
|
|
55 -1.21116575 0.00000000 1.57704981 -0.78507011 0.00000000
|
|
56 -1.42519056 1.12130988 -2.01508180 0.88146810 2.19368376
|
|
57 0.28835885 -7.90402923 7.45606982 0.25626685 -6.40549048
|
|
58 -0.77420429 -6.38710262 8.18682944 -2.09154923 -6.24128609
|
|
59 -0.05096184 -0.49524856 0.11986408 -0.04340719 -0.35055795
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 -0.17141856 0.07472389 -0.09372748 0.04945850 0.16274813
|
|
62 -0.11291330 0.08238524 -0.09243693 -0.05524745 0.10081272
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.09601000 0.13890060 -0.34195907 -0.69671212 3.80672592
|
|
65 -0.20265058 0.71922658 -0.47036640 2.22016749 0.27152875
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 1.16574053 1.18042233 -1.10186215 0.08611462 1.73469349
|
|
68 1.02738237 0.81164096 -1.04267613 0.91040742 0.26460163
|
|
69 -0.22665263 0.11093725 -0.17439912 0.09604665 0.25312787
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
71 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
72 0.06962914 0.07867373 -0.32209587 0.09705374 -0.03189097
|
|
73 0.23337416 -0.03755637 -0.01899871 0.01412297 -0.14787487
|
|
74 -0.01879530 0.11104119 -0.14703227 0.04637164 0.26896660
|
|
75 -1.01974544 -0.23062677 -0.42931895 0.56238824 1.00534823
|
|
76 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
77 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
78 -1.32223767 0.28183314 -0.96688480 1.03587798 -0.25872257
|
|
79 -0.22757997 0.64945479 -0.52433174 -0.72077923 -0.50509439
|
|
80 -0.97799672 -0.13412244 -0.48973094 -0.35688237 1.67889527
|
|
81 -1.42519056 -1.12130988 -2.01508180 0.88146810 -2.19368376
|
|
82 0.28835885 7.90402923 7.45606981 0.25626684 6.40549048
|
|
83 -0.77420429 6.38710262 8.18682943 -2.09154924 6.24128609
|
|
84 -0.05096184 0.49524856 0.11986408 -0.04340719 0.35055795
|
|
85 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
86 0.17141856 0.07472389 0.09372748 -0.04945850 0.16274813
|
|
87 -0.11291330 -0.08238524 -0.09243693 -0.05524745 -0.10081272
|
|
88 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
89 -0.09601000 0.13890060 0.34195907 0.69671212 3.80672592
|
|
90 -0.20265058 -0.71922658 -0.47036640 2.22016749 -0.27152875
|
|
91 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
92 -1.16574053 1.18042233 1.10186215 -0.08611462 1.73469349
|
|
93 1.02738237 -0.81164096 -1.04267613 0.91040742 -0.26460163
|
|
94 -0.22665263 -0.11093725 -0.17439912 0.09604665 -0.25312787
|
|
95 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
96 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
97 0.06962914 -0.07867373 -0.32209587 0.09705374 0.03189097
|
|
98 -0.23337416 -0.03755637 0.01899871 -0.01412297 -0.14787487
|
|
99 -0.01879530 -0.11104119 -0.14703227 0.04637164 -0.26896660
|
|
100 -1.01974544 0.23062677 -0.42931895 0.56238824 -1.00534823
|
|
101 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
102 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
103 -1.32223767 -0.28183314 -0.96688480 1.03587798 0.25872257
|
|
104 0.22757997 0.64945479 0.52433174 0.72077923 -0.50509439
|
|
105 -0.97799672 0.13412244 -0.48973094 -0.35688237 -1.67889527
|
|
61 62 63 64 65
|
|
1 0.00000000 0.00000000 -0.03556566 0.00000000 -0.18542966
|
|
2 0.00000000 0.00000000 -0.17636507 0.00000000 -0.27237954
|
|
3 0.00000000 0.00000000 -0.36032604 0.00000000 -3.07836574
|
|
4 0.00000000 0.00000000 26.54960694 0.00000000 23.68263825
|
|
5 0.00000000 0.00000000 7.99705773 0.00000000 -2.28771265
|
|
6 -0.14805960 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.19395648 0.00000000
|
|
8 0.00000000 0.00000000 -0.29819687 0.00000000 -0.40665962
|
|
9 0.41222072 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 -4.71100013 0.00000000
|
|
11 0.00000000 0.00000000 4.46912256 0.00000000 1.68958835
|
|
12 3.61556677 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 -0.00000000 2.84735805 0.00000000
|
|
14 0.00000000 0.00000000 -1.96901659 0.00000000 1.46976388
|
|
15 0.52878104 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 -1.34469901 0.00000000
|
|
17 0.00000000 0.00000000 1.17128101 0.00000000 -0.56450932
|
|
18 0.00000000 0.00000000 -0.04873054 0.00000000 -0.46612974
|
|
19 0.00000000 -0.00617389 0.00000000 0.00000000 0.00000000
|
|
20 -0.00556725 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 -0.06040888 0.00000000 -0.27405436
|
|
22 0.00000000 0.00000000 0.00000000 0.00191963 0.00000000
|
|
23 0.00000000 0.00000000 -0.05410204 0.00000000 -0.36860845
|
|
24 0.00000000 0.00000000 -2.40413844 0.00000000 -5.08080592
|
|
25 0.00000000 1.45702545 0.00000000 0.00000000 0.00000000
|
|
26 1.26528464 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 1.64158360 0.00000000 -3.27793684
|
|
28 0.00000000 0.00000000 0.00000000 -2.56433659 0.00000000
|
|
29 0.00000000 0.00000000 1.06964293 0.00000000 -4.00177842
|
|
30 0.00000000 0.00000000 -3.86135367 0.00000000 -4.33110915
|
|
31 0.00000000 1.84766434 0.00000000 0.00000000 0.00000000
|
|
32 1.29436330 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 -4.96514266 0.00000000 -2.39451781
|
|
34 0.00000000 0.00000000 -0.00000000 1.64531171 0.00000000
|
|
35 0.00000000 0.00000000 -3.04204967 0.00000000 -3.39965486
|
|
36 0.11984893 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 -0.00089323 0.00000000
|
|
38 0.00000000 0.00000000 0.01936195 0.00000000 0.01979741
|
|
39 -0.09283568 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 -0.08877040 0.00000000 0.00000000 0.00000000
|
|
41 -0.00732347 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 -0.19545605 0.00000000
|
|
43 0.00000000 0.00000000 0.30236771 0.00000000 0.13080032
|
|
44 0.00000000 0.00000000 0.00000000 -0.29274113 0.00000000
|
|
45 0.00000000 0.00000000 0.14524281 0.00000000 0.05790431
|
|
46 -0.45521335 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 -2.31040402 0.00000000
|
|
48 0.00000000 0.00000000 2.04626698 0.00000000 0.07910833
|
|
49 1.85153376 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 1.66574994 0.00000000 0.00000000 0.00000000
|
|
51 0.83359270 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 -6.26295783 0.00000000
|
|
53 0.00000000 0.00000000 2.15937465 0.00000000 1.40341217
|
|
54 0.00000000 0.00000000 0.00000000 -0.63432394 0.00000000
|
|
55 0.00000000 0.00000000 5.59389960 0.00000000 0.93113692
|
|
56 0.00000000 0.00000000 2.17451656 -1.80043281 -4.60645844
|
|
57 0.00000000 0.00000000 -10.36348186 6.75171939 -5.11383224
|
|
58 0.00000000 0.00000000 -6.93533803 6.11048964 5.42922043
|
|
59 0.00000000 0.00000000 -0.19089064 0.49423659 -0.08318945
|
|
60 0.00883661 0.02569596 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.09898615 -0.07763270 -0.06825964
|
|
62 0.00000000 0.00000000 0.12070920 -0.07016411 -0.19921900
|
|
63 -2.67009882 -2.66352695 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 6.32238884 -3.53020427 1.98966197
|
|
65 0.00000000 0.00000000 3.35961961 -5.16307157 1.84123829
|
|
66 -0.85703597 -0.84693860 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.00000000 1.14773237 -0.97129233 -0.99238642
|
|
68 0.00000000 0.00000000 0.44946621 -1.36913898 -0.74691995
|
|
69 0.00000000 0.00000000 0.23689904 -0.18522243 -0.06284645
|
|
70 0.03192470 0.09601531 0.00000000 0.00000000 0.00000000
|
|
71 0.07077385 0.04063166 0.00000000 0.00000000 0.00000000
|
|
72 0.00000000 0.00000000 -0.07231951 -0.01302363 -0.83182591
|
|
73 0.00000000 0.00000000 -0.29997648 0.31029838 -0.49175691
|
|
74 0.00000000 0.00000000 0.10436511 0.00893442 -0.63278844
|
|
75 0.00000000 0.00000000 2.75411949 -2.16614065 -1.23679705
|
|
76 0.89475682 0.88742465 0.00000000 0.00000000 0.00000000
|
|
77 0.76892742 0.69336365 0.00000000 0.00000000 0.00000000
|
|
78 0.00000000 0.00000000 0.71857089 -1.10357158 -0.96862583
|
|
79 0.00000000 0.00000000 -1.25589495 1.57583289 0.12125683
|
|
80 0.00000000 0.00000000 2.17097809 -0.31519312 -1.17685676
|
|
81 0.00000000 0.00000000 2.17451656 1.80043281 -4.60645844
|
|
82 0.00000000 0.00000000 -10.36348186 -6.75171939 -5.11383224
|
|
83 0.00000000 0.00000000 -6.93533803 -6.11048964 5.42922043
|
|
84 0.00000000 0.00000000 -0.19089064 -0.49423659 -0.08318945
|
|
85 0.00883661 -0.02569596 0.00000000 0.00000000 0.00000000
|
|
86 0.00000000 0.00000000 -0.09898615 -0.07763270 0.06825964
|
|
87 0.00000000 0.00000000 0.12070920 0.07016411 -0.19921900
|
|
88 -2.67009882 2.66352695 0.00000000 0.00000000 0.00000000
|
|
89 0.00000000 0.00000000 -6.32238884 -3.53020427 -1.98966197
|
|
90 0.00000000 0.00000000 3.35961961 5.16307157 1.84123829
|
|
91 -0.85703597 0.84693860 0.00000000 0.00000000 0.00000000
|
|
92 0.00000000 0.00000000 -1.14773237 -0.97129233 0.99238642
|
|
93 0.00000000 0.00000000 0.44946621 1.36913898 -0.74691995
|
|
94 0.00000000 0.00000000 0.23689904 0.18522243 -0.06284645
|
|
95 -0.03192470 0.09601531 0.00000000 0.00000000 0.00000000
|
|
96 0.07077385 -0.04063166 0.00000000 0.00000000 0.00000000
|
|
97 0.00000000 0.00000000 -0.07231951 0.01302363 -0.83182591
|
|
98 0.00000000 0.00000000 0.29997648 0.31029838 0.49175691
|
|
99 0.00000000 0.00000000 0.10436511 -0.00893442 -0.63278844
|
|
100 0.00000000 0.00000000 2.75411949 2.16614065 -1.23679705
|
|
101 -0.89475682 0.88742465 0.00000000 0.00000000 0.00000000
|
|
102 0.76892742 -0.69336365 0.00000000 0.00000000 0.00000000
|
|
103 0.00000000 0.00000000 0.71857089 1.10357158 -0.96862583
|
|
104 0.00000000 0.00000000 1.25589495 1.57583289 -0.12125683
|
|
105 0.00000000 0.00000000 2.17097809 0.31519312 -1.17685676
|
|
66 67 68 69 70
|
|
1 0.00000000 0.00000000 0.06275050 0.12123478 0.00000000
|
|
2 0.00000000 0.00000000 -0.52114662 0.41325326 0.00000000
|
|
3 0.00000000 0.00000000 3.43378752 0.45270135 0.00000000
|
|
4 -0.00000000 0.00000000 -10.27359861 -3.40874687 0.00000000
|
|
5 0.00000000 0.00000000 -3.70686609 0.48589488 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 -0.10785395 0.00000000 0.00000000 0.00000000 -0.06564869
|
|
8 0.00000000 0.00000000 0.57329152 0.02088686 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 1.24850737 0.00000000 0.00000000 0.00000000 0.17410282
|
|
11 0.00000000 0.00000000 -0.39082678 -0.37784107 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 1.34817494 0.00000000 0.00000000 0.00000000 -3.28065953
|
|
14 0.00000000 0.00000000 1.79777329 1.87399941 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 -1.23387701 0.00000000 0.00000000 0.00000000 -0.43209476
|
|
17 0.00000000 0.00000000 -0.51078975 0.33648100 0.00000000
|
|
18 0.00000000 0.00000000 0.42463717 0.03828071 0.00000000
|
|
19 0.00000000 -0.01392869 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.52990833 0.00451071 0.00000000
|
|
22 0.16114804 0.00000000 0.00000000 0.00000000 0.03731467
|
|
23 0.00000000 0.00000000 0.47570877 0.06696328 0.00000000
|
|
24 0.00000000 0.00000000 4.78350824 0.38710423 0.00000000
|
|
25 0.00000000 -0.23275272 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 5.54384338 0.29656380 0.00000000
|
|
28 1.09542194 0.00000000 0.00000000 0.00000000 -0.02750151
|
|
29 0.00000000 0.00000000 5.41804420 0.81343285 0.00000000
|
|
30 0.00000000 0.00000000 3.52994542 1.00982643 0.00000000
|
|
31 0.00000000 0.22159987 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 5.23745007 -0.26726486 0.00000000
|
|
34 1.33065771 0.00000000 0.00000000 0.00000000 -1.33525593
|
|
35 0.00000000 0.00000000 3.83005345 1.69381565 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.11702668 0.00000000 0.00000000 0.00000000 -0.06249043
|
|
38 0.00000000 0.00000000 0.13302039 0.02739566 0.00000000
|
|
39 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 -0.06974217 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.04106617 0.00000000 0.00000000 0.00000000 0.10112109
|
|
43 0.00000000 0.00000000 -0.25412052 0.04546146 0.00000000
|
|
44 -0.02840740 0.00000000 0.00000000 0.00000000 0.07766843
|
|
45 0.00000000 0.00000000 0.10447191 -0.04631677 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.05057376 0.00000000 0.00000000 0.00000000 0.51005894
|
|
48 0.00000000 0.00000000 -0.12773033 -0.53155310 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.21170739 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 1.44536767 0.00000000 0.00000000 0.00000000 -1.09235317
|
|
53 0.00000000 0.00000000 1.22415501 -0.95605857 0.00000000
|
|
54 1.22330333 0.00000000 0.00000000 0.00000000 0.00108725
|
|
55 0.00000000 0.00000000 0.29761754 0.30636222 0.00000000
|
|
56 -6.07002534 0.00000000 -4.87246724 1.29596326 -0.05207349
|
|
57 -3.87589919 0.00000000 -2.47787817 0.40231976 2.50010434
|
|
58 6.77622918 0.00000000 1.69845060 -0.84318043 -0.92548948
|
|
59 0.14149276 0.00000000 0.08936241 0.01226895 0.04613769
|
|
60 0.00000000 -0.28374086 0.00000000 0.00000000 0.00000000
|
|
61 -0.43461060 0.00000000 -0.17174717 -0.10266799 -0.20347479
|
|
62 -0.16999532 0.00000000 -0.28719287 0.14319434 0.05036603
|
|
63 0.00000000 0.24125097 0.00000000 0.00000000 0.00000000
|
|
64 2.21757913 0.00000000 0.54327276 0.30343473 0.78591942
|
|
65 1.13426361 0.00000000 0.84781516 -1.06498177 -0.70734326
|
|
66 0.00000000 0.09551267 0.00000000 0.00000000 0.00000000
|
|
67 -0.64325507 0.00000000 0.27716630 0.27423851 0.89156851
|
|
68 -0.76341935 0.00000000 0.55187970 -0.16298463 -0.32521094
|
|
69 -0.21408472 0.00000000 -0.30494549 0.76966278 -0.61885816
|
|
70 0.00000000 0.42992260 0.00000000 0.00000000 0.00000000
|
|
71 0.00000000 -0.64602779 0.00000000 0.00000000 0.00000000
|
|
72 -0.62420718 0.00000000 -0.19824033 -0.19456574 0.11195210
|
|
73 -0.21504739 0.00000000 0.26704298 0.45256247 -0.63719041
|
|
74 -0.68220003 0.00000000 -0.18559171 -0.40191839 0.33869958
|
|
75 -1.72783764 0.00000000 -1.15980296 -0.26363134 0.47256937
|
|
76 0.00000000 -0.40528725 0.00000000 0.00000000 0.00000000
|
|
77 0.00000000 0.26026842 0.00000000 0.00000000 0.00000000
|
|
78 -2.00668037 0.00000000 -1.14649750 0.06143456 -0.62636748
|
|
79 0.03235252 0.00000000 -0.10780290 0.02482405 0.17695806
|
|
80 -1.53631877 0.00000000 -1.33298761 0.31257096 0.18211328
|
|
81 6.07002534 0.00000000 -4.87246724 1.29596326 0.05207349
|
|
82 3.87589919 0.00000000 -2.47787817 0.40231976 -2.50010434
|
|
83 -6.77622918 0.00000000 1.69845060 -0.84318043 0.92548948
|
|
84 -0.14149276 0.00000000 0.08936241 0.01226895 -0.04613769
|
|
85 0.00000000 0.28374086 0.00000000 0.00000000 0.00000000
|
|
86 -0.43461060 0.00000000 0.17174717 0.10266799 -0.20347479
|
|
87 0.16999532 0.00000000 -0.28719287 0.14319434 -0.05036603
|
|
88 0.00000000 -0.24125097 0.00000000 0.00000000 0.00000000
|
|
89 2.21757913 0.00000000 -0.54327276 -0.30343473 0.78591942
|
|
90 -1.13426361 0.00000000 0.84781516 -1.06498177 0.70734326
|
|
91 0.00000000 -0.09551267 0.00000000 0.00000000 0.00000000
|
|
92 -0.64325507 0.00000000 -0.27716630 -0.27423851 0.89156851
|
|
93 0.76341935 0.00000000 0.55187970 -0.16298463 0.32521094
|
|
94 0.21408472 0.00000000 -0.30494549 0.76966278 0.61885816
|
|
95 0.00000000 0.42992260 0.00000000 0.00000000 0.00000000
|
|
96 0.00000000 0.64602779 0.00000000 0.00000000 0.00000000
|
|
97 0.62420718 0.00000000 -0.19824033 -0.19456574 -0.11195210
|
|
98 -0.21504739 0.00000000 -0.26704298 -0.45256247 -0.63719041
|
|
99 0.68220003 0.00000000 -0.18559171 -0.40191839 -0.33869958
|
|
100 1.72783764 0.00000000 -1.15980296 -0.26363134 -0.47256937
|
|
101 0.00000000 -0.40528725 0.00000000 0.00000000 0.00000000
|
|
102 0.00000000 -0.26026842 0.00000000 0.00000000 0.00000000
|
|
103 2.00668037 0.00000000 -1.14649750 0.06143456 0.62636748
|
|
104 0.03235252 0.00000000 0.10780290 -0.02482405 0.17695806
|
|
105 1.53631877 0.00000000 -1.33298761 0.31257096 -0.18211328
|
|
71 72 73 74 75
|
|
1 0.00000000 0.00000000 0.00000000 -0.03982231 0.00000000
|
|
2 0.00000000 0.00000000 0.00000000 -0.11501982 0.00000000
|
|
3 0.00000000 0.00000000 0.00000000 0.02259972 0.00000000
|
|
4 0.00000000 0.00000000 0.00000000 -2.62256503 -0.00000000
|
|
5 0.00000000 0.00000000 0.00000000 0.76595478 0.00000000
|
|
6 -0.17461333 0.00000000 -0.17530178 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.48896037
|
|
8 0.00000000 0.00000000 0.00000000 -0.01243302 0.00000000
|
|
9 0.19615773 0.00000000 0.51015437 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.66839316
|
|
11 0.00000000 0.00000000 0.00000000 -0.45657855 0.00000000
|
|
12 1.38133806 0.00000000 2.27091951 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 7.99619566
|
|
14 0.00000000 0.00000000 0.00000000 -4.06796203 0.00000000
|
|
15 0.13882239 0.00000000 0.17045183 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 0.41384632
|
|
17 0.00000000 0.00000000 0.00000000 -0.10268595 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.03394660 0.00000000
|
|
19 0.00000000 -0.01326590 0.00000000 0.00000000 0.00000000
|
|
20 0.02441712 0.00000000 -0.00174582 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 -0.05970822 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 0.03209949
|
|
23 0.00000000 0.00000000 0.00000000 0.02937139 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.05848513 0.00000000
|
|
25 0.00000000 0.41967673 0.00000000 0.00000000 0.00000000
|
|
26 0.29067475 0.00000000 0.20000291 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 1.02087768 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.17241981
|
|
29 0.00000000 0.00000000 0.00000000 -0.96736122 0.00000000
|
|
30 0.00000000 0.00000000 0.00000000 -0.10076650 0.00000000
|
|
31 0.00000000 1.23106775 0.00000000 0.00000000 0.00000000
|
|
32 0.56422433 0.00000000 0.95532538 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.50268655 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 2.22853595
|
|
35 0.00000000 0.00000000 0.00000000 -2.17008574 0.00000000
|
|
36 -0.10141413 0.00000000 -0.16693673 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.12883844
|
|
38 0.00000000 0.00000000 0.00000000 0.06296777 0.00000000
|
|
39 0.12608434 0.00000000 0.09526013 0.00000000 0.00000000
|
|
40 0.00000000 0.18804851 0.00000000 0.00000000 0.00000000
|
|
41 -0.03167428 0.00000000 0.10635820 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 0.25693800
|
|
43 0.00000000 0.00000000 0.00000000 0.04081666 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 -0.07068490
|
|
45 0.00000000 0.00000000 0.00000000 -0.16283503 0.00000000
|
|
46 -0.10551423 0.00000000 -0.06983393 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 -0.32691674
|
|
48 0.00000000 0.00000000 0.00000000 0.16702967 0.00000000
|
|
49 -0.61212657 0.00000000 0.59291713 0.00000000 0.00000000
|
|
50 0.00000000 0.21896726 0.00000000 0.00000000 0.00000000
|
|
51 0.59968162 0.00000000 -0.11042159 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -1.09193505
|
|
53 0.00000000 0.00000000 0.00000000 -0.03560720 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.03600966
|
|
55 0.00000000 0.00000000 0.00000000 -0.37293956 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.42257876 0.14766410
|
|
57 0.00000000 0.00000000 0.00000000 1.85579264 -4.82482214
|
|
58 0.00000000 0.00000000 0.00000000 -0.96059430 0.12065719
|
|
59 0.00000000 0.00000000 0.00000000 -0.00254153 -0.19854440
|
|
60 0.51965553 0.84026917 0.78619266 0.00000000 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.54194261 0.48028900
|
|
62 0.00000000 0.00000000 0.00000000 -0.47878197 -0.85142302
|
|
63 -0.86130988 -1.72387752 -1.79388937 0.00000000 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 -1.76107713 0.13340587
|
|
65 0.00000000 0.00000000 0.00000000 1.56875300 1.86400446
|
|
66 -0.25506437 -0.29082844 -0.35900543 0.00000000 0.00000000
|
|
67 0.00000000 0.00000000 0.00000000 -0.12935001 -0.25329370
|
|
68 0.00000000 0.00000000 0.00000000 0.38279232 0.58968628
|
|
69 0.00000000 0.00000000 0.00000000 0.14888262 -0.03315838
|
|
70 0.54620110 0.54803327 0.03787159 0.00000000 0.00000000
|
|
71 -0.56732559 0.11622911 0.61555966 0.00000000 0.00000000
|
|
72 0.00000000 0.00000000 0.00000000 0.84311316 -0.28566857
|
|
73 0.00000000 0.00000000 0.00000000 -0.10719675 -0.36778634
|
|
74 0.00000000 0.00000000 0.00000000 -0.51889366 -0.27024396
|
|
75 0.00000000 0.00000000 0.00000000 0.68093679 -1.12841098
|
|
76 0.22204734 0.21131933 0.47755907 0.00000000 0.00000000
|
|
77 0.18633707 0.48457948 0.24804483 0.00000000 0.00000000
|
|
78 0.00000000 0.00000000 0.00000000 0.70225755 -0.02720070
|
|
79 0.00000000 0.00000000 0.00000000 -0.23447110 -0.19531913
|
|
80 0.00000000 0.00000000 0.00000000 0.06476794 -0.99146321
|
|
81 0.00000000 0.00000000 0.00000000 0.42257876 -0.14766410
|
|
82 0.00000000 0.00000000 0.00000000 1.85579264 4.82482214
|
|
83 0.00000000 0.00000000 0.00000000 -0.96059430 -0.12065719
|
|
84 0.00000000 0.00000000 0.00000000 -0.00254153 0.19854440
|
|
85 0.51965553 -0.84026917 0.78619266 0.00000000 0.00000000
|
|
86 0.00000000 0.00000000 0.00000000 -0.54194261 0.48028900
|
|
87 0.00000000 0.00000000 0.00000000 -0.47878197 0.85142302
|
|
88 -0.86130988 1.72387752 -1.79388937 0.00000000 0.00000000
|
|
89 0.00000000 0.00000000 0.00000000 1.76107713 0.13340587
|
|
90 0.00000000 0.00000000 0.00000000 1.56875300 -1.86400446
|
|
91 -0.25506437 0.29082844 -0.35900543 0.00000000 0.00000000
|
|
92 0.00000000 0.00000000 0.00000000 0.12935001 -0.25329370
|
|
93 0.00000000 0.00000000 0.00000000 0.38279232 -0.58968628
|
|
94 0.00000000 0.00000000 0.00000000 0.14888262 0.03315838
|
|
95 -0.54620110 0.54803327 -0.03787159 0.00000000 0.00000000
|
|
96 -0.56732559 -0.11622911 0.61555966 0.00000000 0.00000000
|
|
97 0.00000000 0.00000000 0.00000000 0.84311316 0.28566857
|
|
98 0.00000000 0.00000000 0.00000000 0.10719675 -0.36778634
|
|
99 0.00000000 0.00000000 0.00000000 -0.51889366 0.27024396
|
|
100 0.00000000 0.00000000 0.00000000 0.68093679 1.12841098
|
|
101 -0.22204734 0.21131933 -0.47755907 0.00000000 0.00000000
|
|
102 0.18633707 -0.48457948 0.24804483 0.00000000 0.00000000
|
|
103 0.00000000 0.00000000 0.00000000 0.70225755 0.02720070
|
|
104 0.00000000 0.00000000 0.00000000 0.23447110 -0.19531913
|
|
105 0.00000000 0.00000000 0.00000000 0.06476794 0.99146321
|
|
76 77 78 79 80
|
|
1 0.00000000 0.00000000 0.51228618 0.00000000 0.00000000
|
|
2 0.00000000 0.00000000 1.61081444 0.00000000 0.00000000
|
|
3 0.00000000 0.00000000 1.73798117 0.00000000 0.00000000
|
|
4 0.00000000 0.00000000 -11.54653530 0.00000000 0.00000000
|
|
5 0.00000000 0.00000000 -3.40599504 0.00000000 0.00000000
|
|
6 0.00000000 -1.82796420 0.00000000 0.00000000 0.00000000
|
|
7 1.37091067 0.00000000 0.00000000 0.00000000 -0.63232712
|
|
8 0.00000000 0.00000000 -1.12362573 0.00000000 0.00000000
|
|
9 0.00000000 0.32325037 0.00000000 0.00000000 0.00000000
|
|
10 -1.48196758 0.00000000 0.00000000 0.00000000 1.01833356
|
|
11 0.00000000 0.00000000 -0.72363354 0.00000000 0.00000000
|
|
12 0.00000000 0.10960591 0.00000000 0.00000000 0.00000000
|
|
13 -1.16358300 0.00000000 0.00000000 0.00000000 0.83886911
|
|
14 0.00000000 0.00000000 0.94239709 0.00000000 0.00000000
|
|
15 0.00000000 -0.18161302 0.00000000 0.00000000 0.00000000
|
|
16 0.04383868 0.00000000 0.00000000 0.00000000 -0.05310500
|
|
17 0.00000000 0.00000000 -0.71932025 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.15551460 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.03279964 0.00000000
|
|
20 0.00000000 0.00417938 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.18125529 0.00000000 0.00000000
|
|
22 0.03590000 0.00000000 0.00000000 0.00000000 0.00867024
|
|
23 0.00000000 0.00000000 0.14611969 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 2.90428805 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 -1.81637938 0.00000000
|
|
26 0.00000000 -1.26729579 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 1.28364160 0.00000000 0.00000000
|
|
28 -0.24421115 0.00000000 0.00000000 0.00000000 -0.94354582
|
|
29 0.00000000 0.00000000 1.44833327 0.00000000 0.00000000
|
|
30 0.00000000 0.00000000 3.17912219 0.00000000 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 -0.78339614 0.00000000
|
|
32 0.00000000 -0.56535991 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 2.64946555 0.00000000 0.00000000
|
|
34 0.23179980 0.00000000 0.00000000 0.00000000 -0.84097017
|
|
35 0.00000000 0.00000000 2.20501655 0.00000000 0.00000000
|
|
36 0.00000000 -0.34886339 0.00000000 0.00000000 0.00000000
|
|
37 0.16980270 0.00000000 0.00000000 0.00000000 -0.09932589
|
|
38 0.00000000 0.00000000 -0.11440636 0.00000000 0.00000000
|
|
39 0.00000000 -0.07458939 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.15106471 0.00000000
|
|
41 0.00000000 -0.10614800 0.00000000 0.00000000 0.00000000
|
|
42 0.03208906 0.00000000 0.00000000 0.00000000 -0.08839579
|
|
43 0.00000000 0.00000000 0.09817993 0.00000000 0.00000000
|
|
44 -0.26126797 0.00000000 0.00000000 0.00000000 0.16281610
|
|
45 0.00000000 0.00000000 -0.21761320 0.00000000 0.00000000
|
|
46 0.00000000 -0.85640189 0.00000000 0.00000000 0.00000000
|
|
47 0.13021530 0.00000000 0.00000000 0.00000000 -0.06230703
|
|
48 0.00000000 0.00000000 -0.51521244 0.00000000 0.00000000
|
|
49 0.00000000 -1.48092905 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 -1.30816995 0.00000000
|
|
51 0.00000000 -1.20490426 0.00000000 0.00000000 0.00000000
|
|
52 1.63781063 0.00000000 0.00000000 0.00000000 1.44574548
|
|
53 0.00000000 0.00000000 -1.79071731 0.00000000 0.00000000
|
|
54 0.49284980 0.00000000 0.00000000 0.00000000 -1.77959524
|
|
55 0.00000000 0.00000000 -2.10870303 0.00000000 0.00000000
|
|
56 -1.17407406 0.00000000 0.02473779 0.00000000 1.19295538
|
|
57 0.83124082 0.00000000 4.67535244 0.00000000 1.34105306
|
|
58 1.18846344 0.00000000 2.75469391 0.00000000 0.30273762
|
|
59 0.18641605 0.00000000 0.00634488 0.00000000 -0.04368940
|
|
60 0.00000000 0.27581826 0.00000000 0.49643810 0.00000000
|
|
61 0.39527496 0.00000000 -0.53183177 0.00000000 -0.30969946
|
|
62 -0.16244228 0.00000000 -0.49218374 0.00000000 0.06898683
|
|
63 0.00000000 1.54478621 0.00000000 1.59241681 0.00000000
|
|
64 -2.44649010 0.00000000 -0.96483509 0.00000000 -0.92588341
|
|
65 -0.04274980 0.00000000 -0.06267207 0.00000000 1.79390650
|
|
66 0.00000000 0.09457426 0.00000000 0.18815899 0.00000000
|
|
67 -0.90986280 0.00000000 0.29809349 0.00000000 0.02185146
|
|
68 -0.28006321 0.00000000 0.43154509 0.00000000 0.35308886
|
|
69 0.00395429 0.00000000 -0.82351163 0.00000000 -0.22111050
|
|
70 0.00000000 -0.87865989 0.00000000 -0.84454413 0.00000000
|
|
71 0.00000000 -0.50957636 0.00000000 -0.76725759 0.00000000
|
|
72 1.18820344 0.00000000 -0.49377816 0.00000000 0.35118315
|
|
73 0.24621535 0.00000000 0.01365958 0.00000000 -0.14469137
|
|
74 -0.03008526 0.00000000 -0.79923959 0.00000000 -1.37885493
|
|
75 0.27181318 0.00000000 -1.49123922 0.00000000 -0.24319222
|
|
76 0.00000000 -0.23610204 0.00000000 -0.23678016 0.00000000
|
|
77 0.00000000 -0.18639755 0.00000000 -0.13628825 0.00000000
|
|
78 1.17666219 0.00000000 -1.47983803 0.00000000 0.00211079
|
|
79 0.16439433 0.00000000 -0.12471087 0.00000000 -0.28466352
|
|
80 0.24136636 0.00000000 -1.71185904 0.00000000 -0.77438292
|
|
81 1.17407406 0.00000000 0.02473779 0.00000000 -1.19295538
|
|
82 -0.83124082 0.00000000 4.67535244 0.00000000 -1.34105306
|
|
83 -1.18846344 0.00000000 2.75469391 0.00000000 -0.30273762
|
|
84 -0.18641605 0.00000000 0.00634488 0.00000000 0.04368940
|
|
85 0.00000000 0.27581826 0.00000000 -0.49643810 0.00000000
|
|
86 0.39527496 0.00000000 0.53183177 0.00000000 -0.30969946
|
|
87 0.16244228 0.00000000 -0.49218374 0.00000000 -0.06898683
|
|
88 0.00000000 1.54478621 0.00000000 -1.59241681 0.00000000
|
|
89 -2.44649010 0.00000000 0.96483509 0.00000000 -0.92588341
|
|
90 0.04274980 0.00000000 -0.06267207 0.00000000 -1.79390650
|
|
91 0.00000000 0.09457426 0.00000000 -0.18815899 0.00000000
|
|
92 -0.90986280 0.00000000 -0.29809349 0.00000000 0.02185146
|
|
93 0.28006321 0.00000000 0.43154509 0.00000000 -0.35308886
|
|
94 -0.00395429 0.00000000 -0.82351163 0.00000000 0.22111050
|
|
95 0.00000000 0.87865989 0.00000000 -0.84454413 0.00000000
|
|
96 0.00000000 -0.50957636 0.00000000 0.76725759 0.00000000
|
|
97 -1.18820344 0.00000000 -0.49377816 0.00000000 -0.35118315
|
|
98 0.24621535 0.00000000 -0.01365958 0.00000000 -0.14469137
|
|
99 0.03008526 0.00000000 -0.79923959 0.00000000 1.37885493
|
|
100 -0.27181318 0.00000000 -1.49123922 0.00000000 0.24319222
|
|
101 0.00000000 0.23610204 0.00000000 -0.23678016 0.00000000
|
|
102 0.00000000 -0.18639755 0.00000000 0.13628825 0.00000000
|
|
103 -1.17666219 0.00000000 -1.47983803 0.00000000 -0.00211079
|
|
104 0.16439433 0.00000000 0.12471087 0.00000000 -0.28466352
|
|
105 -0.24136636 0.00000000 -1.71185904 0.00000000 0.77438292
|
|
81 82 83 84 85
|
|
1 0.00000000 0.06022362 0.00000000 -0.53580226 0.00000000
|
|
2 0.00000000 0.33456063 0.00000000 -2.14857861 0.00000000
|
|
3 0.00000000 -0.28423195 0.00000000 -2.24866767 0.00000000
|
|
4 0.00000000 3.46276787 0.00000000 -1.93267976 0.00000000
|
|
5 0.00000000 -2.64555107 0.00000000 -0.51726905 0.00000000
|
|
6 0.00000000 0.00000000 3.40898146 0.00000000 0.00000000
|
|
7 -1.32119731 0.00000000 0.00000000 0.00000000 2.71302915
|
|
8 0.00000000 2.02619144 0.00000000 -2.08187238 -0.00000000
|
|
9 0.00000000 0.00000000 -2.39513288 0.00000000 0.00000000
|
|
10 -4.47965711 0.00000000 0.00000000 0.00000000 -1.48169370
|
|
11 0.00000000 0.53698714 0.00000000 -0.44302079 0.00000000
|
|
12 0.00000000 0.00000000 -2.30993597 0.00000000 0.00000000
|
|
13 -1.51629791 0.00000000 0.00000000 0.00000000 -6.36574233
|
|
14 0.00000000 -3.55379796 0.00000000 0.94792992 0.00000000
|
|
15 0.00000000 0.00000000 0.04673721 0.00000000 0.00000000
|
|
16 -0.88704208 0.00000000 0.00000000 0.00000000 -1.54367490
|
|
17 0.00000000 -0.26959939 0.00000000 -0.04167210 0.00000000
|
|
18 0.00000000 -0.04765357 0.00000000 -0.29669218 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.03924594 0.00000000 0.00000000
|
|
21 0.00000000 -0.07640352 0.00000000 -0.13236485 0.00000000
|
|
22 0.22435659 0.00000000 0.00000000 0.00000000 0.15968268
|
|
23 0.00000000 0.01918507 0.00000000 -0.20447880 0.00000000
|
|
24 0.00000000 -0.74136468 0.00000000 -1.83307845 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 -0.63872748 0.00000000 0.00000000
|
|
27 0.00000000 -1.62755258 0.00000000 -4.11237147 0.00000000
|
|
28 -2.64426114 0.00000000 0.00000000 0.00000000 -0.16627420
|
|
29 0.00000000 1.00106840 0.00000000 -1.50091688 0.00000000
|
|
30 0.00000000 -1.35384326 0.00000000 -0.96612986 0.00000000
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.00000000 -0.33701290 0.00000000 0.00000000
|
|
33 0.00000000 -2.97187592 0.00000000 -1.33140709 0.00000000
|
|
34 -0.65985712 0.00000000 0.00000000 0.00000000 -1.21517772
|
|
35 0.00000000 -1.26065473 0.00000000 -0.29479029 0.00000000
|
|
36 0.00000000 0.00000000 0.01656706 0.00000000 0.00000000
|
|
37 -0.01973061 0.00000000 0.00000000 0.00000000 -0.27342859
|
|
38 0.00000000 0.10411303 0.00000000 0.26342789 0.00000000
|
|
39 0.00000000 0.00000000 0.27111448 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 0.00000000 0.17206119 0.00000000 0.00000000
|
|
42 -0.49104444 0.00000000 0.00000000 0.00000000 -0.06528607
|
|
43 0.00000000 0.45959931 0.00000000 -0.17542085 0.00000000
|
|
44 -0.42760780 0.00000000 0.00000000 0.00000000 0.02013885
|
|
45 0.00000000 -0.10507105 0.00000000 -0.27819716 0.00000000
|
|
46 0.00000000 0.00000000 1.87745142 0.00000000 0.00000000
|
|
47 -1.52384949 0.00000000 0.00000000 0.00000000 0.82123061
|
|
48 0.00000000 0.88469513 0.00000000 -1.17236710 0.00000000
|
|
49 0.00000000 0.00000000 0.12972063 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.34128460 0.00000000 0.00000000
|
|
52 -4.27028007 0.00000000 0.00000000 0.00000000 1.06482747
|
|
53 0.00000000 -0.05487969 0.00000000 -0.94712490 0.00000000
|
|
54 -1.04397160 0.00000000 0.00000000 0.00000000 0.83780784
|
|
55 0.00000000 3.49326322 0.00000000 -0.89092496 0.00000000
|
|
56 -2.00751632 0.68300444 0.00000000 -0.34670698 -4.16431253
|
|
57 11.12929942 0.38135511 0.00000000 4.11428035 6.27698409
|
|
58 4.47939079 2.86792868 0.00000000 1.39789688 9.05565441
|
|
59 0.33066180 0.06052386 0.00000000 0.00129500 0.46744403
|
|
60 0.00000000 0.00000000 0.19757670 0.00000000 0.00000000
|
|
61 -0.38467112 0.40652784 0.00000000 0.19777535 -0.07214517
|
|
62 -0.48413739 -0.46995665 0.00000000 -0.30903485 -0.08189783
|
|
63 0.00000000 0.00000000 0.70824322 0.00000000 0.00000000
|
|
64 -4.48892460 1.65893533 0.00000000 -1.90309801 -0.71241949
|
|
65 -4.30174193 -0.03822815 0.00000000 -2.53029557 -1.05269929
|
|
66 0.00000000 0.00000000 0.18543298 0.00000000 0.00000000
|
|
67 -0.84660592 -0.43337238 0.00000000 -0.46490305 -1.64805425
|
|
68 -0.69374543 -0.49716527 0.00000000 -0.52646937 -1.15152276
|
|
69 -1.19184057 -0.12258019 0.00000000 -0.20816961 -1.29988563
|
|
70 0.00000000 0.00000000 -0.48813443 0.00000000 0.00000000
|
|
71 0.00000000 0.00000000 -0.30023135 0.00000000 0.00000000
|
|
72 0.18628293 -1.21115088 0.00000000 -0.20018263 -1.26418154
|
|
73 1.12863767 0.06645678 0.00000000 0.91317015 0.13808408
|
|
74 0.01499847 0.16381305 0.00000000 0.57991123 -0.98248038
|
|
75 -1.22526699 0.16264410 0.00000000 -0.29529054 -1.33281542
|
|
76 0.00000000 0.00000000 -0.06283323 0.00000000 0.00000000
|
|
77 0.00000000 0.00000000 -0.05457445 0.00000000 0.00000000
|
|
78 -0.44084338 -0.37936259 0.00000000 0.18266900 -1.18891443
|
|
79 0.90313526 -0.26985499 0.00000000 0.53802964 0.19045467
|
|
80 -0.52943991 -0.00044443 0.00000000 0.03759118 -1.22426635
|
|
81 2.00751632 0.68300444 0.00000000 -0.34670698 4.16431253
|
|
82 -11.12929942 0.38135511 0.00000000 4.11428035 -6.27698409
|
|
83 -4.47939079 2.86792868 0.00000000 1.39789688 -9.05565441
|
|
84 -0.33066180 0.06052386 0.00000000 0.00129500 -0.46744403
|
|
85 0.00000000 0.00000000 0.19757670 0.00000000 0.00000000
|
|
86 -0.38467112 -0.40652784 0.00000000 -0.19777535 -0.07214517
|
|
87 0.48413739 -0.46995665 0.00000000 -0.30903485 0.08189783
|
|
88 0.00000000 0.00000000 0.70824322 0.00000000 0.00000000
|
|
89 -4.48892460 -1.65893533 0.00000000 1.90309801 -0.71241949
|
|
90 4.30174193 -0.03822815 0.00000000 -2.53029557 1.05269929
|
|
91 0.00000000 0.00000000 0.18543298 0.00000000 0.00000000
|
|
92 -0.84660592 0.43337238 0.00000000 0.46490305 -1.64805425
|
|
93 0.69374543 -0.49716527 0.00000000 -0.52646937 1.15152276
|
|
94 1.19184057 -0.12258019 0.00000000 -0.20816961 1.29988563
|
|
95 0.00000000 0.00000000 0.48813443 0.00000000 0.00000000
|
|
96 0.00000000 0.00000000 -0.30023135 0.00000000 0.00000000
|
|
97 -0.18628293 -1.21115088 0.00000000 -0.20018263 1.26418154
|
|
98 1.12863767 -0.06645678 0.00000000 -0.91317015 0.13808408
|
|
99 -0.01499847 0.16381305 0.00000000 0.57991123 0.98248038
|
|
100 1.22526699 0.16264410 0.00000000 -0.29529054 1.33281542
|
|
101 0.00000000 0.00000000 0.06283323 0.00000000 0.00000000
|
|
102 0.00000000 0.00000000 -0.05457445 0.00000000 0.00000000
|
|
103 0.44084338 -0.37936259 0.00000000 0.18266900 1.18891443
|
|
104 0.90313526 0.26985499 0.00000000 -0.53802964 0.19045467
|
|
105 0.52943991 -0.00044443 0.00000000 0.03759118 1.22426635
|
|
86 87 88 89 90
|
|
1 -0.61620144 0.00000000 0.00000000 0.06187338 -0.05373094
|
|
2 -2.43530827 0.00000000 0.00000000 0.34042111 -0.35324877
|
|
3 -3.31571879 0.00000000 0.00000000 0.54389220 -0.77728165
|
|
4 -0.31257548 0.00000000 0.00000000 5.04287539 -2.30815801
|
|
5 -6.62877277 0.00000000 0.00000000 -1.42420981 2.49158571
|
|
6 0.00000000 0.00768464 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.28427924 0.00000000 0.00000000
|
|
8 1.45236150 0.00000000 0.00000000 -0.04864493 0.60937544
|
|
9 0.00000000 0.05718287 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 -0.33069870 0.00000000 0.00000000
|
|
11 -2.17811611 0.00000000 0.00000000 0.75516554 -1.13484528
|
|
12 0.00000000 0.27359847 0.00000000 0.00000000 0.00000000
|
|
13 -0.00000000 0.00000000 -4.85072131 0.00000000 0.00000000
|
|
14 -3.58791044 0.00000000 0.00000000 3.89842669 -2.20225817
|
|
15 0.00000000 0.01909744 0.00000000 0.00000000 0.00000000
|
|
16 -0.00000000 0.00000000 0.46650215 0.00000000 0.00000000
|
|
17 -0.91905328 0.00000000 0.00000000 -0.20967402 0.48675180
|
|
18 -0.54658900 0.00000000 0.00000000 0.11371656 -0.14960560
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 -0.12089844 0.00000000 0.00000000 0.00000000
|
|
21 -0.04984666 0.00000000 0.00000000 0.12353652 0.08293786
|
|
22 0.00000000 0.00000000 0.00890787 0.00000000 0.00000000
|
|
23 -0.34602652 0.00000000 0.00000000 -0.03388752 -0.23719584
|
|
24 -3.17106965 0.00000000 0.00000000 0.08349504 -0.27444205
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.12379693 0.00000000 0.00000000 0.00000000
|
|
27 -3.39322226 0.00000000 0.00000000 1.72518916 -1.44439416
|
|
28 0.00000000 0.00000000 -0.99231481 0.00000000 0.00000000
|
|
29 -4.24904619 0.00000000 0.00000000 0.64177834 -1.69247627
|
|
30 -2.19086554 0.00000000 0.00000000 -0.06007312 -0.55593539
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.00000000 0.35882129 0.00000000 0.00000000 0.00000000
|
|
33 -2.44070942 0.00000000 0.00000000 2.04864152 -1.99403903
|
|
34 0.00000000 0.00000000 -1.87934945 0.00000000 0.00000000
|
|
35 -2.85962299 0.00000000 0.00000000 1.59525059 -0.87265247
|
|
36 0.00000000 0.35325266 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -1.22321197 0.00000000 0.00000000
|
|
38 -0.19756685 0.00000000 0.00000000 1.21542930 0.23598406
|
|
39 0.00000000 0.77842515 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 0.00000000 -1.26795329 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.53208748 0.00000000 0.00000000
|
|
43 -0.23709557 0.00000000 0.00000000 -0.26502010 0.74038235
|
|
44 0.00000000 0.00000000 0.30750035 0.00000000 0.00000000
|
|
45 -0.00543820 0.00000000 0.00000000 -0.67082141 -1.16102261
|
|
46 0.00000000 -0.20196536 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 1.29932655 0.00000000 0.00000000
|
|
48 0.08688431 0.00000000 0.00000000 -0.90598631 0.18477543
|
|
49 0.00000000 -0.38243599 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.78750003 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.29615555 0.00000000 0.00000000
|
|
53 0.89993536 0.00000000 0.00000000 1.01351280 -1.08180786
|
|
54 0.00000000 0.00000000 -0.59968490 0.00000000 0.00000000
|
|
55 -0.46903340 0.00000000 0.00000000 0.11325363 0.47516645
|
|
56 -5.27187465 0.00000000 4.21753548 -3.26950860 4.47416251
|
|
57 7.46962766 0.00000000 1.47767084 -3.35125830 1.24971667
|
|
58 8.20858433 0.00000000 -3.25896475 1.75218626 -2.84529260
|
|
59 0.10510889 0.00000000 -0.01545513 -0.01205699 0.00187803
|
|
60 0.00000000 0.03134900 0.00000000 0.00000000 0.00000000
|
|
61 -0.11306966 0.00000000 -0.35789429 0.09608657 -0.56212006
|
|
62 0.24808252 0.00000000 -0.11121149 0.39599628 -0.03303734
|
|
63 0.00000000 -0.25330518 0.00000000 0.00000000 0.00000000
|
|
64 -2.86966506 0.00000000 -0.14567118 1.04749779 -0.65768079
|
|
65 -1.60003704 0.00000000 0.01056613 0.66233441 -0.68295367
|
|
66 0.00000000 -0.03851641 0.00000000 0.00000000 0.00000000
|
|
67 -1.58155335 0.00000000 0.35478665 -0.02150359 0.22129803
|
|
68 -1.28041148 0.00000000 0.33879666 -0.04438381 -0.06132536
|
|
69 -1.42081966 0.00000000 0.96558226 -0.68109525 0.86933772
|
|
70 0.00000000 -0.00625482 0.00000000 0.00000000 0.00000000
|
|
71 0.00000000 0.07264059 0.00000000 0.00000000 0.00000000
|
|
72 -0.42610040 0.00000000 1.03065904 -0.65605440 1.57194793
|
|
73 0.44624940 0.00000000 0.14294689 -0.30644639 0.04757727
|
|
74 -1.29395012 0.00000000 0.83840701 -0.92342684 0.79802679
|
|
75 -1.48078102 0.00000000 1.45742704 -0.97871357 1.41868891
|
|
76 0.00000000 0.18474460 0.00000000 0.00000000 0.00000000
|
|
77 0.00000000 -0.14675015 0.00000000 0.00000000 0.00000000
|
|
78 -0.82743941 0.00000000 1.13869729 -0.98462108 1.01289265
|
|
79 0.58591688 0.00000000 -0.48288421 0.26823492 -0.05727003
|
|
80 -0.98629142 0.00000000 1.24474142 -1.03868167 1.33525193
|
|
81 -5.27187465 0.00000000 -4.21753548 -3.26950860 4.47416251
|
|
82 7.46962765 0.00000000 -1.47767084 -3.35125830 1.24971667
|
|
83 8.20858433 0.00000000 3.25896475 1.75218626 -2.84529260
|
|
84 0.10510889 0.00000000 0.01545513 -0.01205699 0.00187803
|
|
85 0.00000000 0.03134900 0.00000000 0.00000000 0.00000000
|
|
86 0.11306966 0.00000000 -0.35789429 -0.09608657 0.56212006
|
|
87 0.24808252 0.00000000 0.11121149 0.39599628 -0.03303734
|
|
88 0.00000000 -0.25330518 0.00000000 0.00000000 0.00000000
|
|
89 2.86966505 0.00000000 -0.14567118 -1.04749779 0.65768079
|
|
90 -1.60003704 0.00000000 -0.01056613 0.66233441 -0.68295367
|
|
91 0.00000000 -0.03851641 0.00000000 0.00000000 0.00000000
|
|
92 1.58155335 0.00000000 0.35478665 0.02150359 -0.22129803
|
|
93 -1.28041148 0.00000000 -0.33879666 -0.04438381 -0.06132536
|
|
94 -1.42081966 0.00000000 -0.96558226 -0.68109525 0.86933772
|
|
95 0.00000000 0.00625482 0.00000000 0.00000000 0.00000000
|
|
96 0.00000000 0.07264059 0.00000000 0.00000000 0.00000000
|
|
97 -0.42610040 0.00000000 -1.03065904 -0.65605440 1.57194793
|
|
98 -0.44624940 0.00000000 0.14294689 0.30644639 -0.04757727
|
|
99 -1.29395012 0.00000000 -0.83840701 -0.92342684 0.79802679
|
|
100 -1.48078102 0.00000000 -1.45742704 -0.97871357 1.41868891
|
|
101 0.00000000 -0.18474460 0.00000000 0.00000000 0.00000000
|
|
102 0.00000000 -0.14675015 0.00000000 0.00000000 0.00000000
|
|
103 -0.82743941 0.00000000 -1.13869729 -0.98462108 1.01289265
|
|
104 -0.58591688 0.00000000 -0.48288421 -0.26823492 0.05727003
|
|
105 -0.98629142 0.00000000 -1.24474142 -1.03868167 1.33525193
|
|
91 92 93 94 95
|
|
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 -0.36213284 -0.12709805 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 0.00000000 0.00000000 -0.32448564
|
|
8 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
9 0.33953399 -0.30156680 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.00000000 0.00000000 0.30805697
|
|
11 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
12 -0.80423284 -1.10136876 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 0.00000000 0.00000000 0.25116791
|
|
14 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
15 -0.21542759 -0.07837906 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.00000000 0.00000000 -0.64071302
|
|
17 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
18 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
19 0.00000000 0.00000000 -0.21439418 -1.24823390 0.00000000
|
|
20 -0.37767834 1.18103154 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
22 0.00000000 0.00000000 0.00000000 0.00000000 -0.09154027
|
|
23 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
24 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
25 0.00000000 0.00000000 0.88741461 1.30268176 0.00000000
|
|
26 0.75902660 -1.03806064 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
28 0.00000000 0.00000000 0.00000000 0.00000000 0.52849637
|
|
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 -0.43179278 0.28855639 0.00000000
|
|
32 -0.42688181 -0.14324622 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
34 0.00000000 0.00000000 0.00000000 0.00000000 0.80917592
|
|
35 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
36 -1.02213020 -0.18351401 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 0.00000000 0.00000000 -0.20588603
|
|
38 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
39 1.16115169 0.49039841 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 1.32986005 -0.21120626 0.00000000
|
|
41 0.57666237 0.08888692 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 0.00000000 0.00000000 1.45598334
|
|
43 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
44 0.00000000 0.00000000 0.00000000 0.00000000 -1.20663342
|
|
45 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
46 0.55631357 0.08062922 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 0.00000000 0.00000000 -0.05725978
|
|
48 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
49 -0.29514893 -0.56153415 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 -0.32409847 0.52168609 0.00000000
|
|
51 -0.05484242 -0.26898291 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 0.00000000 0.00000000 -0.54573501
|
|
53 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
54 0.00000000 0.00000000 0.00000000 0.00000000 0.90472390
|
|
55 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
56 0.00000000 0.00000000 0.00000000 0.00000000 -2.90917986
|
|
57 0.00000000 0.00000000 0.00000000 0.00000000 0.12652843
|
|
58 0.00000000 0.00000000 0.00000000 0.00000000 2.69353398
|
|
59 0.00000000 0.00000000 0.00000000 0.00000000 0.12405455
|
|
60 -0.40552740 -0.10368384 -0.46850531 -0.00658928 0.00000000
|
|
61 0.00000000 0.00000000 0.00000000 0.00000000 -0.00047145
|
|
62 0.00000000 0.00000000 0.00000000 0.00000000 0.41655532
|
|
63 0.15813804 0.86609233 0.09681303 -0.92868769 0.00000000
|
|
64 0.00000000 0.00000000 0.00000000 0.00000000 0.34472762
|
|
65 0.00000000 0.00000000 0.00000000 0.00000000 -0.47092610
|
|
66 0.26830282 0.20497126 0.21863857 -0.21674612 0.00000000
|
|
67 0.00000000 0.00000000 0.00000000 0.00000000 -0.13381761
|
|
68 0.00000000 0.00000000 0.00000000 0.00000000 -0.55023169
|
|
69 0.00000000 0.00000000 0.00000000 0.00000000 -0.54306727
|
|
70 0.40515558 -0.03135881 0.42958455 0.03692541 0.00000000
|
|
71 0.26153024 0.06766726 0.35826443 0.08985498 0.00000000
|
|
72 0.00000000 0.00000000 0.00000000 0.00000000 -0.20171331
|
|
73 0.00000000 0.00000000 0.00000000 0.00000000 -0.12715500
|
|
74 0.00000000 0.00000000 0.00000000 0.00000000 -0.95527954
|
|
75 0.00000000 0.00000000 0.00000000 0.00000000 -0.86243639
|
|
76 -0.09684943 -0.30984652 -0.08950406 0.38313722 0.00000000
|
|
77 -0.07735305 -0.29949164 -0.06734334 0.23644484 0.00000000
|
|
78 0.00000000 0.00000000 0.00000000 0.00000000 -0.91262047
|
|
79 0.00000000 0.00000000 0.00000000 0.00000000 0.17491555
|
|
80 0.00000000 0.00000000 0.00000000 0.00000000 -0.32262323
|
|
81 0.00000000 0.00000000 0.00000000 0.00000000 2.90917986
|
|
82 0.00000000 0.00000000 0.00000000 0.00000000 -0.12652843
|
|
83 0.00000000 0.00000000 0.00000000 0.00000000 -2.69353398
|
|
84 0.00000000 0.00000000 0.00000000 0.00000000 -0.12405455
|
|
85 -0.40552740 -0.10368384 0.46850531 0.00658928 0.00000000
|
|
86 0.00000000 0.00000000 0.00000000 0.00000000 -0.00047145
|
|
87 0.00000000 0.00000000 0.00000000 0.00000000 -0.41655532
|
|
88 0.15813804 0.86609233 -0.09681303 0.92868769 0.00000000
|
|
89 0.00000000 0.00000000 0.00000000 0.00000000 0.34472762
|
|
90 0.00000000 0.00000000 0.00000000 0.00000000 0.47092610
|
|
91 0.26830282 0.20497126 -0.21863857 0.21674612 0.00000000
|
|
92 0.00000000 0.00000000 0.00000000 0.00000000 -0.13381761
|
|
93 0.00000000 0.00000000 0.00000000 0.00000000 0.55023169
|
|
94 0.00000000 0.00000000 0.00000000 0.00000000 0.54306727
|
|
95 -0.40515558 0.03135881 0.42958455 0.03692541 0.00000000
|
|
96 0.26153024 0.06766726 -0.35826443 -0.08985498 0.00000000
|
|
97 0.00000000 0.00000000 0.00000000 0.00000000 0.20171331
|
|
98 0.00000000 0.00000000 0.00000000 0.00000000 -0.12715500
|
|
99 0.00000000 0.00000000 0.00000000 0.00000000 0.95527954
|
|
100 0.00000000 0.00000000 0.00000000 0.00000000 0.86243639
|
|
101 0.09684943 0.30984652 -0.08950406 0.38313722 0.00000000
|
|
102 -0.07735305 -0.29949164 0.06734334 -0.23644484 0.00000000
|
|
103 0.00000000 0.00000000 0.00000000 0.00000000 0.91262047
|
|
104 0.00000000 0.00000000 0.00000000 0.00000000 0.17491555
|
|
105 0.00000000 0.00000000 0.00000000 0.00000000 0.32262323
|
|
96 97 98 99 100
|
|
1 0.02260078 -0.64944782 0.00000000 -1.11564608 0.00000000
|
|
2 0.10947598 -1.68669473 0.00000000 -3.25478489 0.00000000
|
|
3 0.16026975 2.31107804 0.00000000 2.50422250 0.00000000
|
|
4 5.60194916 -12.37352071 0.00000000 3.97708592 0.00000000
|
|
5 1.57811740 -1.42859479 0.00000000 -2.12265961 0.00000000
|
|
6 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -0.26835878 0.00000000 0.71468140
|
|
8 -0.17733129 -0.25098972 0.00000000 -0.52863999 0.00000000
|
|
9 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 0.27909492 0.00000000 -4.24638208
|
|
11 1.60454052 -0.53356953 0.00000000 2.51011891 0.00000000
|
|
12 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 2.46645643 0.00000000 0.37233658
|
|
14 0.99754526 0.64217830 0.00000000 -0.43383046 0.00000000
|
|
15 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.37035242 0.00000000 0.61392243
|
|
17 0.27170494 -0.10067302 0.00000000 -0.38749657 0.00000000
|
|
18 0.69387781 -0.57034998 0.00000000 0.79508821 0.00000000
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.59561438 1.58398674 0.00000000 0.25938997 0.00000000
|
|
22 0.00000000 0.00000000 1.38893563 0.00000000 -0.18699570
|
|
23 -1.26365823 0.46212217 0.00000000 0.70522436 0.00000000
|
|
24 -0.76216418 3.40135569 0.00000000 1.15317077 0.00000000
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 -0.45504084 0.46865345 0.00000000 6.40483009 0.00000000
|
|
28 0.00000000 0.00000000 -2.13303854 0.00000000 -4.85565590
|
|
29 2.29523660 2.46305298 0.00000000 3.31543390 0.00000000
|
|
30 -0.41735522 1.89541386 0.00000000 -0.19058334 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 -1.10912528 1.26427397 0.00000000 0.55118654 0.00000000
|
|
34 0.00000000 0.00000000 -0.00867486 0.00000000 -0.45914213
|
|
35 0.10546309 1.85078655 0.00000000 -0.19211459 0.00000000
|
|
36 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -0.05190604 0.00000000 0.38462406
|
|
38 -0.18161074 -0.06902541 0.00000000 -0.28526310 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 -0.06514803 0.00000000 -1.27798437
|
|
43 0.07207519 0.21929026 0.00000000 1.59433213 0.00000000
|
|
44 0.00000000 0.00000000 -0.21317256 0.00000000 -1.55821211
|
|
45 0.09199901 0.16167595 0.00000000 -0.00435237 0.00000000
|
|
46 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 -0.44126813 0.00000000 -0.94202066
|
|
48 0.33960656 -0.37144656 0.00000000 0.57688222 0.00000000
|
|
49 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -1.62050292 0.00000000 -2.66325907
|
|
53 0.40541882 -1.55460419 0.00000000 2.00772290 0.00000000
|
|
54 0.00000000 0.00000000 -1.66685135 0.00000000 -2.12067584
|
|
55 1.82195962 -1.00158525 0.00000000 1.44475785 0.00000000
|
|
56 -0.33569113 1.76885017 5.30097830 -9.91312636 11.61164293
|
|
57 -2.52177959 2.76071257 -0.49240935 -3.10479768 3.89350573
|
|
58 -1.39231455 0.60676359 -2.44488296 2.45115177 -3.43754046
|
|
59 -0.04986248 0.05720121 -0.08355960 -0.00510623 0.00102487
|
|
60 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.27494932 0.23027930 -0.15530949 1.05123956 -1.74615426
|
|
62 -0.05363364 -0.04177672 0.10821853 1.12326247 -1.14682777
|
|
63 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 2.05799964 -0.75620202 -0.26194452 1.95646546 -3.24072628
|
|
65 -0.04652851 -1.05476974 0.22182656 2.08963269 -2.00522403
|
|
66 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.43206184 0.01682111 0.41961585 -0.15653321 0.17108214
|
|
68 0.01646917 -0.07189337 0.37002158 -0.01587689 0.27021611
|
|
69 0.08897823 0.20014102 0.80282542 -1.02344579 1.13539015
|
|
70 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
71 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
72 -0.51788528 -0.24919886 0.28233212 -1.17807361 2.07023945
|
|
73 0.08897516 -0.17300896 -0.43776118 -0.44274399 0.83819450
|
|
74 0.11570495 0.18438002 0.19432374 -1.48797657 1.36154302
|
|
75 0.36528759 -0.36080862 0.21624870 -0.58827110 0.80229442
|
|
76 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
77 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
78 -0.27938270 -0.25524990 0.35758433 -0.88333372 1.37286558
|
|
79 -0.16592370 0.17922337 0.04392190 -0.34644523 0.35055121
|
|
80 0.65077970 -0.17584774 0.21657038 -0.86587068 1.00376784
|
|
81 -0.33569113 1.76885017 -5.30097830 -9.91312636 -11.61164293
|
|
82 -2.52177959 2.76071257 0.49240935 -3.10479768 -3.89350573
|
|
83 -1.39231455 0.60676359 2.44488296 2.45115177 3.43754046
|
|
84 -0.04986248 0.05720121 0.08355960 -0.00510623 -0.00102487
|
|
85 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
86 -0.27494932 -0.23027930 -0.15530949 -1.05123956 -1.74615426
|
|
87 -0.05363364 -0.04177672 -0.10821853 1.12326247 1.14682777
|
|
88 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
89 -2.05799964 0.75620202 -0.26194452 -1.95646546 -3.24072628
|
|
90 -0.04652851 -1.05476974 -0.22182656 2.08963269 2.00522403
|
|
91 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
92 -0.43206184 -0.01682111 0.41961585 0.15653321 0.17108214
|
|
93 0.01646917 -0.07189337 -0.37002158 -0.01587689 -0.27021611
|
|
94 0.08897823 0.20014102 -0.80282542 -1.02344579 -1.13539015
|
|
95 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
96 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
97 -0.51788528 -0.24919886 -0.28233212 -1.17807361 -2.07023945
|
|
98 -0.08897516 0.17300896 -0.43776118 0.44274399 0.83819450
|
|
99 0.11570495 0.18438002 -0.19432374 -1.48797657 -1.36154302
|
|
100 0.36528759 -0.36080862 -0.21624870 -0.58827110 -0.80229442
|
|
101 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
102 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
103 -0.27938270 -0.25524990 -0.35758433 -0.88333372 -1.37286558
|
|
104 0.16592370 -0.17922337 0.04392190 0.34644523 0.35055121
|
|
105 0.65077970 -0.17584774 -0.21657038 -0.86587068 -1.00376784
|
|
101 102 103 104 105
|
|
1 0.00000000 -0.82608420 0.00000000 -7.98066428 3.29880078
|
|
2 0.00000000 -2.17286912 0.00000000 -25.74064372 15.58279656
|
|
3 0.00000000 1.74918428 0.00000000 3.24831275 -1.14816009
|
|
4 0.00000000 -6.21384916 0.00000000 -12.74310784 10.53903508
|
|
5 0.00000000 3.09315010 0.00000000 -2.08102250 0.03765867
|
|
6 -8.21017545 0.00000000 0.00000000 0.00000000 0.00000000
|
|
7 0.00000000 0.00000000 -9.63008879 0.00000000 0.00000000
|
|
8 0.00000000 -8.95469807 0.00000000 2.01906935 1.11127886
|
|
9 16.33221285 0.00000000 0.00000000 0.00000000 0.00000000
|
|
10 0.00000000 0.00000000 17.70111632 0.00000000 0.00000000
|
|
11 0.00000000 15.92270904 0.00000000 -5.71518800 -1.82383151
|
|
12 3.61866726 0.00000000 0.00000000 0.00000000 0.00000000
|
|
13 0.00000000 0.00000000 9.76151080 0.00000000 0.00000000
|
|
14 0.00000000 7.37091725 0.00000000 -3.75098376 -1.35606213
|
|
15 -0.22708792 0.00000000 0.00000000 0.00000000 0.00000000
|
|
16 0.00000000 0.00000000 0.58680798 0.00000000 0.00000000
|
|
17 0.00000000 0.14546639 0.00000000 0.00387478 -0.02446434
|
|
18 0.00000000 0.17427874 0.00000000 2.50744926 -3.71656085
|
|
19 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
20 0.03589350 0.00000000 0.00000000 0.00000000 0.00000000
|
|
21 0.00000000 0.06661616 0.00000000 1.88391825 -3.65321854
|
|
22 0.00000000 0.00000000 -0.10960114 0.00000000 0.00000000
|
|
23 0.00000000 0.17306986 0.00000000 2.10466963 -3.67755617
|
|
24 0.00000000 1.91514776 0.00000000 3.42235985 -5.13272848
|
|
25 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
26 0.01145619 0.00000000 0.00000000 0.00000000 0.00000000
|
|
27 0.00000000 1.18782191 0.00000000 0.75066979 -4.85696427
|
|
28 0.00000000 0.00000000 0.65400442 0.00000000 0.00000000
|
|
29 0.00000000 1.44091726 0.00000000 1.94936143 -4.98635058
|
|
30 0.00000000 2.29500030 0.00000000 -0.81621176 -2.30556223
|
|
31 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
32 0.02446617 0.00000000 0.00000000 0.00000000 0.00000000
|
|
33 0.00000000 3.46112667 0.00000000 -1.48796764 -2.53607995
|
|
34 0.00000000 0.00000000 1.43001399 0.00000000 0.00000000
|
|
35 0.00000000 2.75061187 0.00000000 -0.99803435 -2.33155359
|
|
36 -8.20474816 0.00000000 0.00000000 0.00000000 0.00000000
|
|
37 0.00000000 0.00000000 -4.04587596 0.00000000 0.00000000
|
|
38 0.00000000 -3.82298423 0.00000000 0.87028034 0.44857729
|
|
39 -3.56080671 0.00000000 0.00000000 0.00000000 0.00000000
|
|
40 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
41 -3.60411036 0.00000000 0.00000000 0.00000000 0.00000000
|
|
42 0.00000000 0.00000000 -8.81916811 0.00000000 0.00000000
|
|
43 0.00000000 -4.04707230 0.00000000 -0.55687111 0.60906929
|
|
44 0.00000000 0.00000000 -3.96712533 0.00000000 0.00000000
|
|
45 0.00000000 -8.55292198 0.00000000 1.30609247 1.05783922
|
|
46 -4.55541685 0.00000000 0.00000000 0.00000000 0.00000000
|
|
47 0.00000000 0.00000000 -3.00058555 0.00000000 0.00000000
|
|
48 0.00000000 -2.90843630 0.00000000 0.19835162 0.40060207
|
|
49 -2.04797304 0.00000000 0.00000000 0.00000000 0.00000000
|
|
50 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
|
51 -2.03263176 0.00000000 0.00000000 0.00000000 0.00000000
|
|
52 0.00000000 0.00000000 -6.36771255 0.00000000 0.00000000
|
|
53 0.00000000 -2.55875018 0.00000000 0.37474270 0.38322829
|
|
54 0.00000000 0.00000000 -2.22921012 0.00000000 0.00000000
|
|
55 0.00000000 -6.39433030 0.00000000 0.57044050 0.90683449
|
|
56 0.00000000 -0.90869889 -2.57580172 3.11402480 -0.13098675
|
|
57 0.00000000 0.81056047 -1.69169111 5.37675146 0.01388986
|
|
58 0.00000000 -2.83976433 -4.93434940 2.11553084 1.08979069
|
|
59 0.00000000 -0.13511384 -0.38082744 0.11483800 -0.02020119
|
|
60 -0.09917131 0.00000000 0.00000000 0.00000000 0.00000000
|
|
61 0.00000000 -0.07273496 0.24132028 -1.06651045 0.13267596
|
|
62 0.00000000 -0.11545963 0.17192556 -0.81915707 0.11983082
|
|
63 0.13043986 0.00000000 0.00000000 0.00000000 0.00000000
|
|
64 0.00000000 -1.21605348 0.27991999 -2.69644814 0.08154786
|
|
65 0.00000000 -0.70462379 -0.30580083 -2.26584151 0.00747204
|
|
66 -0.15597374 0.00000000 0.00000000 0.00000000 0.00000000
|
|
67 0.00000000 0.76898980 1.56794033 -0.96258500 -0.39124614
|
|
68 0.00000000 0.68695464 0.90185051 -0.91739419 -0.37526214
|
|
69 0.00000000 -0.13835893 -0.23996789 -0.06606142 0.03724028
|
|
70 0.09551888 0.00000000 0.00000000 0.00000000 0.00000000
|
|
71 0.06320843 0.00000000 0.00000000 0.00000000 0.00000000
|
|
72 0.00000000 0.14010952 -0.08627006 1.11279551 -0.07248072
|
|
73 0.00000000 0.36174363 0.07739145 1.06150188 -0.10755631
|
|
74 0.00000000 0.12564784 -0.11033915 0.69186011 -0.04746556
|
|
75 0.00000000 -0.72945391 -0.54100631 0.37892660 0.14433422
|
|
76 -0.07087235 0.00000000 0.00000000 0.00000000 0.00000000
|
|
77 -0.05565934 0.00000000 0.00000000 0.00000000 0.00000000
|
|
78 0.00000000 -0.23880245 -0.64492300 0.69084976 0.17836826
|
|
79 0.00000000 0.25664784 0.15652390 0.44680923 0.05373346
|
|
80 0.00000000 -0.65885472 -0.25849087 0.74109327 0.20591293
|
|
81 0.00000000 -0.90869889 2.57580172 3.11402480 -0.13098675
|
|
82 0.00000000 0.81056047 1.69169111 5.37675146 0.01388986
|
|
83 0.00000000 -2.83976433 4.93434940 2.11553084 1.08979069
|
|
84 0.00000000 -0.13511384 0.38082744 0.11483800 -0.02020119
|
|
85 -0.09917131 0.00000000 0.00000000 0.00000000 0.00000000
|
|
86 0.00000000 0.07273496 0.24132028 1.06651045 -0.13267596
|
|
87 0.00000000 -0.11545963 -0.17192556 -0.81915707 0.11983082
|
|
88 0.13043986 0.00000000 0.00000000 0.00000000 0.00000000
|
|
89 0.00000000 1.21605348 0.27991999 2.69644814 -0.08154786
|
|
90 0.00000000 -0.70462379 0.30580083 -2.26584151 0.00747204
|
|
91 -0.15597374 0.00000000 0.00000000 0.00000000 0.00000000
|
|
92 0.00000000 -0.76898980 1.56794033 0.96258500 0.39124614
|
|
93 0.00000000 0.68695464 -0.90185051 -0.91739419 -0.37526214
|
|
94 0.00000000 -0.13835893 0.23996789 -0.06606142 0.03724028
|
|
95 -0.09551888 0.00000000 0.00000000 0.00000000 0.00000000
|
|
96 0.06320843 0.00000000 0.00000000 0.00000000 0.00000000
|
|
97 0.00000000 0.14010952 0.08627006 1.11279551 -0.07248072
|
|
98 0.00000000 -0.36174363 0.07739145 -1.06150188 0.10755631
|
|
99 0.00000000 0.12564784 0.11033915 0.69186011 -0.04746556
|
|
100 0.00000000 -0.72945391 0.54100631 0.37892660 0.14433422
|
|
101 0.07087235 0.00000000 0.00000000 0.00000000 0.00000000
|
|
102 -0.05565934 0.00000000 0.00000000 0.00000000 0.00000000
|
|
103 0.00000000 -0.23880245 0.64492300 0.69084976 0.17836826
|
|
104 0.00000000 -0.25664784 0.15652390 -0.44680923 -0.05373346
|
|
105 0.00000000 -0.65885472 0.25849087 0.74109327 0.20591293
|
|
|
|
---------------------------------------
|
|
MO energies
|
|
---------------------------------------
|
|
1
|
|
1 -20.56556391
|
|
2 -1.35236325
|
|
3 -0.71622789
|
|
4 -0.58478784
|
|
5 -0.51019203
|
|
6 0.02925636
|
|
7 0.04763820
|
|
8 0.12755400
|
|
9 0.15472663
|
|
10 0.16970681
|
|
11 0.18100660
|
|
12 0.21344262
|
|
13 0.24114349
|
|
14 0.26529542
|
|
15 0.28174334
|
|
16 0.29311488
|
|
17 0.36534269
|
|
18 0.41151661
|
|
19 0.46180732
|
|
20 0.51873876
|
|
21 0.55018555
|
|
22 0.67351085
|
|
23 0.69884705
|
|
24 0.71204782
|
|
25 0.72260671
|
|
26 0.75966940
|
|
27 0.77415868
|
|
28 0.79157399
|
|
29 0.86180193
|
|
30 0.92259588
|
|
31 0.92747735
|
|
32 0.93471908
|
|
33 1.00160825
|
|
34 1.00253979
|
|
35 1.03877440
|
|
36 1.07835196
|
|
37 1.10918659
|
|
38 1.15850233
|
|
39 1.17652190
|
|
40 1.19500868
|
|
41 1.25374276
|
|
42 1.25486352
|
|
43 1.51103333
|
|
44 1.56367977
|
|
45 1.57672097
|
|
46 1.72217357
|
|
47 1.81874241
|
|
48 1.82653236
|
|
49 2.05569430
|
|
50 2.06764077
|
|
51 2.26489181
|
|
52 2.28893994
|
|
53 2.31643095
|
|
54 2.41674153
|
|
55 2.42117938
|
|
56 2.47163033
|
|
57 2.62057180
|
|
58 2.62444483
|
|
59 2.77899634
|
|
60 2.79606400
|
|
61 2.80811906
|
|
62 2.88520915
|
|
63 3.02532983
|
|
64 3.08862420
|
|
65 3.92404104
|
|
66 3.95658346
|
|
67 4.01858168
|
|
68 4.14970557
|
|
69 4.17757146
|
|
70 4.25110885
|
|
71 4.28830323
|
|
72 4.37832673
|
|
73 4.38863613
|
|
74 4.42218420
|
|
75 4.57383893
|
|
76 5.00161063
|
|
77 5.04347044
|
|
78 5.07276200
|
|
79 5.15405717
|
|
80 5.18649103
|
|
81 5.48224305
|
|
82 5.63514762
|
|
83 5.73948388
|
|
84 5.99294058
|
|
85 6.10623898
|
|
86 6.20740343
|
|
87 6.71074879
|
|
88 6.85409801
|
|
89 6.86694404
|
|
90 7.10119511
|
|
91 7.13497520
|
|
92 7.29501544
|
|
93 7.31544246
|
|
94 7.35596840
|
|
95 7.44957129
|
|
96 7.52130878
|
|
97 8.03927526
|
|
98 8.71997588
|
|
99 8.87111439
|
|
100 9.65911042
|
|
101 13.54190998
|
|
102 14.88948906
|
|
103 15.49612651
|
|
104 16.81463908
|
|
105 17.63154348
|
|
|
|
Total CPU time for RHF = 1.926 seconds
|
|
|
|
|
|
AO to MO transformation... Please be patient
|
|
|
|
Total CPU time for AO to MO transformation = 41.821 seconds
|
|
|
|
|
|
************************************************
|
|
| One-shot G0W0 calculation |
|
|
************************************************
|
|
|
|
|
|
|
|
*** Quasiparticle energies obtained by linearization ***
|
|
|
|
-------------------------------------------------------------------------------
|
|
One-shot G0W0 calculation
|
|
-------------------------------------------------------------------------------
|
|
| # | e_HF (eV) | Sigma_c (eV) | Z | e_QP (eV) |
|
|
-------------------------------------------------------------------------------
|
|
| 1 | -559.617498 | 16.737056 | 0.753886 | -546.999663 |
|
|
| 2 | -36.799678 | 3.999933 | 0.513973 | -34.743821 |
|
|
| 3 | -19.489554 | 0.381268 | 0.938159 | -19.131864 |
|
|
| 4 | -15.912888 | 0.856482 | 0.929834 | -15.116502 |
|
|
| 5 | -13.883032 | 1.063313 | 0.927254 | -12.897071 |
|
|
| 6 | 0.796106 | -0.116941 | 0.996639 | 0.679558 |
|
|
| 7 | 1.296301 | -0.045976 | 0.998578 | 1.250391 |
|
|
| 8 | 3.470921 | -0.160021 | 0.994787 | 3.311734 |
|
|
| 9 | 4.210326 | -0.138836 | 0.994734 | 4.072221 |
|
|
| 10 | 4.617958 | -0.312010 | 0.991615 | 4.308564 |
|
|
| 11 | 4.925440 | -0.185618 | 0.994468 | 4.740850 |
|
|
| 12 | 5.808070 | -0.263649 | 0.992155 | 5.546489 |
|
|
| 13 | 6.561849 | -0.222060 | 0.994127 | 6.341093 |
|
|
| 14 | 7.219056 | -0.210761 | 0.994383 | 7.009479 |
|
|
| 15 | 7.666627 | -0.232282 | 0.992814 | 7.436014 |
|
|
| 16 | 7.976062 | -0.244726 | 0.992485 | 7.733175 |
|
|
| 17 | 9.941481 | -0.150548 | 0.995809 | 9.791564 |
|
|
| 18 | 11.197937 | -0.527474 | 0.985645 | 10.678035 |
|
|
| 19 | 12.566417 | -0.586053 | 0.983410 | 11.990087 |
|
|
| 20 | 14.115601 | -0.733621 | 0.980587 | 13.396222 |
|
|
| 21 | 14.971311 | -0.723238 | 0.980495 | 14.262180 |
|
|
| 22 | 18.327164 | -0.616629 | 0.977948 | 17.724133 |
|
|
| 23 | 19.016597 | -0.615449 | 0.975808 | 18.416037 |
|
|
| 24 | 19.375808 | -0.728787 | 0.975874 | 18.664604 |
|
|
| 25 | 19.663130 | -0.673116 | 0.976195 | 19.006037 |
|
|
| 26 | 20.671657 | -0.581667 | 0.968533 | 20.108293 |
|
|
| 27 | 21.065931 | -0.928767 | 0.938204 | 20.194558 |
|
|
| 28 | 21.539825 | -0.949951 | 0.942577 | 20.644423 |
|
|
| 29 | 23.450825 | -0.618026 | 0.915462 | 22.885046 |
|
|
| 30 | 25.105113 | -0.695077 | 0.875060 | 24.496879 |
|
|
| 31 | 25.237944 | -0.727279 | 0.897842 | 24.584963 |
|
|
| 32 | 25.435002 | -0.561658 | 0.811391 | 24.979278 |
|
|
| 33 | 27.255149 | -0.667840 | 0.870679 | 26.673675 |
|
|
| 34 | 27.280497 | -1.285315 | 0.721016 | 26.353764 |
|
|
| 35 | 28.266491 | -1.502661 | 0.771761 | 27.106796 |
|
|
| 36 | 29.343451 | -0.577272 | 0.819800 | 28.870204 |
|
|
| 37 | 30.182505 | -0.663308 | 0.781070 | 29.664415 |
|
|
| 38 | 31.524454 | -0.897182 | 0.804053 | 30.803072 |
|
|
| 39 | 32.014792 | -0.450029 | 0.732540 | 31.685127 |
|
|
| 40 | 32.517843 | -1.325153 | 0.802496 | 31.454413 |
|
|
| 41 | 34.116078 | -0.727569 | 0.738197 | 33.578988 |
|
|
| 42 | 34.146576 | -0.720258 | 0.807052 | 33.565290 |
|
|
| 43 | 41.117311 | -1.228975 | 0.412458 | 40.610410 |
|
|
| 44 | 42.549894 | -1.357864 | 0.527772 | 41.833251 |
|
|
| 45 | 42.904763 | -1.391743 | 0.492856 | 42.218834 |
|
|
| 46 | 46.862730 | -1.169680 | 0.331517 | 46.474961 |
|
|
| 47 | 49.490502 | -2.511526 | 0.210340 | 48.962229 |
|
|
| 48 | 49.702477 | -1.674118 | 0.366264 | 49.089308 |
|
|
| 49 | 55.938291 | -3.251601 | 0.224696 | 55.207670 |
|
|
| 50 | 56.263371 | -2.786109 | 0.334366 | 55.331792 |
|
|
| 51 | 61.630845 | -3.236588 | 0.280237 | 60.723833 |
|
|
| 52 | 62.285228 | -1.630038 | 0.231862 | 61.907284 |
|
|
| 53 | 63.033297 | -2.489914 | 0.215816 | 62.495934 |
|
|
| 54 | 65.762887 | -1.789897 | 0.278424 | 65.264537 |
|
|
| 55 | 65.883647 | -0.707224 | 0.174891 | 65.759960 |
|
|
| 56 | 67.256487 | -3.166626 | 0.175003 | 66.702317 |
|
|
| 57 | 71.309391 | -1.826880 | 0.291816 | 70.776278 |
|
|
| 58 | 71.414781 | -1.741386 | 0.233115 | 71.008838 |
|
|
| 59 | 75.620342 | -1.446538 | 0.123475 | 75.441731 |
|
|
| 60 | 76.084777 | -1.990372 | 0.308461 | 75.470825 |
|
|
| 61 | 76.412812 | -1.867480 | 0.283625 | 75.883148 |
|
|
| 62 | 78.510540 | -1.738273 | 0.282254 | 78.019906 |
|
|
| 63 | 82.323418 | -2.643794 | 0.171972 | 81.868760 |
|
|
| 64 | 84.045745 | -2.151012 | 0.148909 | 83.725440 |
|
|
| 65 | 106.778595 | 0.114034 | 0.095381 | 106.789472 |
|
|
| 66 | 107.664120 | -0.252406 | 0.094393 | 107.640294 |
|
|
| 67 | 109.351177 | -1.477744 | 0.165558 | 109.106526 |
|
|
| 68 | 112.919240 | -2.262290 | 0.119961 | 112.647854 |
|
|
| 69 | 113.677509 | -1.105113 | 0.140328 | 113.522431 |
|
|
| 70 | 115.678564 | -1.411262 | 0.253590 | 115.320682 |
|
|
| 71 | 116.690675 | -1.845557 | 0.224683 | 116.276009 |
|
|
| 72 | 119.140339 | -2.843839 | 0.136613 | 118.751832 |
|
|
| 73 | 119.420872 | -2.212638 | 0.157430 | 119.072536 |
|
|
| 74 | 120.333761 | -1.318948 | 0.362802 | 119.855244 |
|
|
| 75 | 124.460497 | -2.392848 | 0.202226 | 123.976601 |
|
|
| 76 | 136.100758 | -1.969195 | 0.076543 | 135.950029 |
|
|
| 77 | 137.239821 | 0.045608 | 0.117031 | 137.245159 |
|
|
| 78 | 138.036885 | -1.159885 | 0.112415 | 137.906496 |
|
|
| 79 | 140.249039 | -2.543370 | 0.076676 | 140.054023 |
|
|
| 80 | 141.131609 | -2.365441 | 0.165184 | 140.740877 |
|
|
| 81 | 149.179432 | -2.169625 | 0.176815 | 148.795809 |
|
|
| 82 | 153.340177 | -2.100796 | 0.164139 | 152.995354 |
|
|
| 83 | 156.179311 | -5.161181 | 0.088120 | 155.724510 |
|
|
| 84 | 163.076220 | -5.240707 | 0.041275 | 162.859911 |
|
|
| 85 | 166.159226 | -4.335198 | 0.125313 | 165.615971 |
|
|
| 86 | 168.912051 | -2.217654 | 0.234362 | 168.392317 |
|
|
| 87 | 182.608776 | -1.298258 | 0.181799 | 182.372753 |
|
|
| 88 | 186.509507 | -0.450206 | 0.241863 | 186.400619 |
|
|
| 89 | 186.859065 | -4.411801 | 0.076099 | 186.523332 |
|
|
| 90 | 193.233361 | -0.915989 | 0.138714 | 193.106301 |
|
|
| 91 | 194.152564 | -0.914288 | 0.100017 | 194.061120 |
|
|
| 92 | 198.507481 | -4.421833 | 0.349814 | 196.960661 |
|
|
| 93 | 199.063329 | -2.675774 | 0.094480 | 198.810522 |
|
|
| 94 | 200.166096 | -3.791321 | 0.266565 | 199.155463 |
|
|
| 95 | 202.713160 | -2.036982 | 0.075480 | 202.559409 |
|
|
| 96 | 204.665237 | -4.032164 | 0.142255 | 204.091639 |
|
|
| 97 | 218.759823 | -3.445102 | 0.097560 | 218.423718 |
|
|
| 98 | 237.282630 | -5.827694 | 0.056521 | 236.953244 |
|
|
| 99 | 241.395318 | -1.605410 | 0.047120 | 241.319671 |
|
|
| 100 | 262.837782 | -2.230133 | 0.072578 | 262.675924 |
|
|
| 101 | 368.494140 | -1.301849 | 0.340521 | 368.050833 |
|
|
| 102 | 405.163635 | -1.774712 | 0.475702 | 404.319401 |
|
|
| 103 | 421.671080 | -3.621222 | 0.403884 | 420.208527 |
|
|
| 104 | 457.549635 | -0.977540 | 0.397515 | 457.161048 |
|
|
| 105 | 479.778736 | -6.464583 | 0.367857 | 477.400694 |
|
|
-------------------------------------------------------------------------------
|
|
G0W0 HOMO energy (eV): -12.897071
|
|
G0W0 LUMO energy (eV): 0.679558
|
|
G0W0 HOMO-LUMO gap (eV): 13.576629
|
|
-------------------------------------------------------------------------------
|
|
|
|
|
|
-------------------------------------------------------------------------------
|
|
Tr@RPA@G0W0 correlation energy (singlet) = -0.3564039189
|
|
Tr@RPA@G0W0 correlation energy (triplet) = 0.0000000000
|
|
Tr@RPA@G0W0 correlation energy = -0.3564039189
|
|
Tr@RPA@G0W0 total energy = -76.4174053258
|
|
-------------------------------------------------------------------------------
|
|
|
|
|
|
-------------------------------------------------------------
|
|
| BSE calculation: singlet manifold |
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.297418 | 8.093152 |
|
|
| 2 | 0.359951 | 9.794779 |
|
|
| 3 | 0.383021 | 10.422526 |
|
|
| 4 | 0.403417 | 10.977524 |
|
|
| 5 | 0.426941 | 11.617669 |
|
|
| 6 | 0.429829 | 11.696253 |
|
|
| 7 | 0.443146 | 12.058620 |
|
|
| 8 | 0.444108 | 12.084803 |
|
|
| 9 | 0.470861 | 12.812789 |
|
|
| 10 | 0.484228 | 13.176504 |
|
|
| 11 | 0.494062 | 13.444098 |
|
|
| 12 | 0.495016 | 13.470060 |
|
|
| 13 | 0.507332 | 13.805196 |
|
|
| 14 | 0.512027 | 13.932955 |
|
|
| 15 | 0.523784 | 14.252893 |
|
|
| 16 | 0.526000 | 14.313200 |
|
|
| 17 | 0.534607 | 14.547409 |
|
|
| 18 | 0.537555 | 14.627628 |
|
|
| 19 | 0.551190 | 14.998643 |
|
|
| 20 | 0.567055 | 15.430359 |
|
|
| 21 | 0.589427 | 16.039135 |
|
|
| 22 | 0.595722 | 16.210410 |
|
|
| 23 | 0.614632 | 16.724986 |
|
|
| 24 | 0.616660 | 16.780163 |
|
|
| 25 | 0.633025 | 17.225494 |
|
|
| 26 | 0.634183 | 17.257012 |
|
|
| 27 | 0.634786 | 17.273420 |
|
|
| 28 | 0.641619 | 17.459350 |
|
|
| 29 | 0.657330 | 17.886861 |
|
|
| 30 | 0.662056 | 18.015467 |
|
|
| 31 | 0.686348 | 18.676488 |
|
|
| 32 | 0.704137 | 19.160534 |
|
|
-------------------------------------------------------------
|
|
|
|
|
|
--------------------------------
|
|
Excitation n. 1: 8.093152 eV
|
|
--------------------------------
|
|
5 -> 6 = -0.598271
|
|
5 -> 8 = -0.219268
|
|
5 -> 10 = 0.285363
|
|
5 -> 18 = -0.103748
|
|
|
|
--------------------------------
|
|
Excitation n. 2: 9.794779 eV
|
|
--------------------------------
|
|
5 -> 7 = -0.600967
|
|
5 -> 11 = -0.294765
|
|
5 -> 12 = -0.196197
|
|
5 -> 19 = 0.102253
|
|
|
|
--------------------------------
|
|
Excitation n. 3: 10.422526 eV
|
|
--------------------------------
|
|
4 -> 6 = 0.597453
|
|
4 -> 8 = 0.179670
|
|
4 -> 10 = -0.285889
|
|
4 -> 18 = 0.085214
|
|
5 -> 9 = -0.132100
|
|
|
|
--------------------------------
|
|
Excitation n. 4: 10.977524 eV
|
|
--------------------------------
|
|
5 -> 6 = -0.181484
|
|
5 -> 8 = 0.637076
|
|
5 -> 10 = 0.149753
|
|
5 -> 15 = 0.158193
|
|
5 -> 18 = 0.103349
|
|
|
|
--------------------------------
|
|
Excitation n. 5: 11.617669 eV
|
|
--------------------------------
|
|
4 -> 6 = 0.142911
|
|
4 -> 8 = -0.071195
|
|
4 -> 10 = -0.075222
|
|
5 -> 9 = 0.670954
|
|
5 -> 16 = 0.101583
|
|
|
|
--------------------------------
|
|
Excitation n. 6: 11.696253 eV
|
|
--------------------------------
|
|
5 -> 6 = -0.323131
|
|
5 -> 10 = -0.597671
|
|
5 -> 13 = 0.117341
|
|
5 -> 18 = 0.114508
|
|
5 -> 21 = -0.096186
|
|
|
|
--------------------------------
|
|
Excitation n. 7: 12.058620 eV
|
|
--------------------------------
|
|
5 -> 7 = 0.286213
|
|
5 -> 11 = -0.113337
|
|
5 -> 12 = -0.598542
|
|
5 -> 19 = 0.122555
|
|
5 -> 20 = -0.172855
|
|
|
|
--------------------------------
|
|
Excitation n. 8: 12.084803 eV
|
|
--------------------------------
|
|
4 -> 7 = -0.613699
|
|
4 -> 11 = -0.294249
|
|
4 -> 12 = -0.160269
|
|
4 -> 19 = 0.088630
|
|
|
|
--------------------------------
|
|
Excitation n. 9: 12.812789 eV
|
|
--------------------------------
|
|
5 -> 7 = -0.238208
|
|
5 -> 11 = 0.605988
|
|
5 -> 12 = -0.234802
|
|
5 -> 19 = -0.117201
|
|
|
|
--------------------------------
|
|
Excitation n. 10: 13.176504 eV
|
|
--------------------------------
|
|
4 -> 9 = 0.106369
|
|
5 -> 10 = 0.112649
|
|
5 -> 13 = 0.677563
|
|
|
|
---------------------------------------------------------------------------------------------------
|
|
First-order dynamical correction to static Bethe-Salpeter excitation energies
|
|
---------------------------------------------------------------------------------------------------
|
|
BSE neutral excitation must be lower than the GW gap = 13.576629 eV
|
|
---------------------------------------------------------------------------------------------------
|
|
# Static (eV) Dynamic (eV) Correction (eV) Renorm. (eV)
|
|
---------------------------------------------------------------------------------------------------
|
|
1 8.093152 8.006007 -0.087144 1.006915
|
|
2 9.794779 9.724323 -0.070456 1.005305
|
|
3 10.422526 10.351060 -0.071466 1.005776
|
|
4 10.977524 10.916437 -0.061087 1.005988
|
|
5 11.617669 11.567502 -0.050167 1.005701
|
|
6 11.696253 11.634996 -0.061257 1.004529
|
|
7 12.058620 11.949855 -0.108765 1.007495
|
|
8 12.084803 12.034126 -0.050677 1.004017
|
|
9 12.812789 12.774685 -0.038105 1.003622
|
|
10 13.176504 13.143674 -0.032830 1.002825
|
|
---------------------------------------------------------------------------------------------------
|
|
|
|
|
|
-------------------------------------------------------------
|
|
| BSE calculation: triplet manifold |
|
|
-------------------------------------------------------------
|
|
| State | Excitation energy (au) | Excitation energy (eV) |
|
|
-------------------------------------------------------------
|
|
| 1 | 0.299071 | 8.138130 |
|
|
| 2 | 0.366277 | 9.966900 |
|
|
| 3 | 0.377858 | 10.282043 |
|
|
| 4 | 0.413434 | 11.250121 |
|
|
| 5 | 0.415644 | 11.310252 |
|
|
| 6 | 0.431702 | 11.747217 |
|
|
| 7 | 0.445611 | 12.125695 |
|
|
| 8 | 0.452284 | 12.307266 |
|
|
| 9 | 0.477887 | 13.003963 |
|
|
| 10 | 0.483377 | 13.153367 |
|
|
| 11 | 0.487486 | 13.265173 |
|
|
| 12 | 0.497618 | 13.540878 |
|
|
| 13 | 0.505685 | 13.760377 |
|
|
| 14 | 0.510808 | 13.899802 |
|
|
| 15 | 0.512920 | 13.957266 |
|
|
| 16 | 0.522407 | 14.215407 |
|
|
| 17 | 0.524054 | 14.260224 |
|
|
| 18 | 0.531002 | 14.449314 |
|
|
| 19 | 0.557631 | 15.173911 |
|
|
| 20 | 0.560172 | 15.243065 |
|
|
| 21 | 0.583427 | 15.875847 |
|
|
| 22 | 0.587364 | 15.982997 |
|
|
| 23 | 0.606926 | 16.515299 |
|
|
| 24 | 0.607832 | 16.539948 |
|
|
| 25 | 0.632482 | 17.210719 |
|
|
| 26 | 0.639474 | 17.400986 |
|
|
| 27 | 0.647127 | 17.609210 |
|
|
| 28 | 0.648638 | 17.650342 |
|
|
| 29 | 0.651308 | 17.722986 |
|
|
| 30 | 0.663894 | 18.065482 |
|
|
| 31 | 0.682266 | 18.565411 |
|
|
| 32 | 0.700678 | 19.066420 |
|
|
-------------------------------------------------------------
|
|
|
|
|
|
--------------------------------
|
|
Excitation n. 1: 8.138130 eV
|
|
--------------------------------
|
|
5 -> 6 = -0.610815
|
|
5 -> 8 = -0.216373
|
|
5 -> 10 = 0.268499
|
|
5 -> 18 = -0.082583
|
|
|
|
--------------------------------
|
|
Excitation n. 2: 9.966900 eV
|
|
--------------------------------
|
|
5 -> 7 = 0.633827
|
|
5 -> 11 = 0.254716
|
|
5 -> 12 = 0.172019
|
|
|
|
--------------------------------
|
|
Excitation n. 3: 10.282043 eV
|
|
--------------------------------
|
|
4 -> 6 = -0.600557
|
|
4 -> 8 = -0.223761
|
|
4 -> 10 = 0.278468
|
|
4 -> 18 = -0.087602
|
|
|
|
--------------------------------
|
|
Excitation n. 4: 11.250121 eV
|
|
--------------------------------
|
|
5 -> 6 = 0.163207
|
|
5 -> 8 = -0.641363
|
|
5 -> 10 = -0.166785
|
|
5 -> 13 = 0.086254
|
|
5 -> 15 = -0.138527
|
|
|
|
--------------------------------
|
|
Excitation n. 5: 11.310252 eV
|
|
--------------------------------
|
|
5 -> 9 = -0.684548
|
|
5 -> 16 = -0.160686
|
|
|
|
--------------------------------
|
|
Excitation n. 6: 11.747217 eV
|
|
--------------------------------
|
|
5 -> 6 = -0.307429
|
|
5 -> 8 = 0.086155
|
|
5 -> 10 = -0.597559
|
|
5 -> 13 = 0.139284
|
|
5 -> 18 = 0.108502
|
|
5 -> 21 = -0.095394
|
|
|
|
--------------------------------
|
|
Excitation n. 7: 12.125695 eV
|
|
--------------------------------
|
|
4 -> 7 = -0.617488
|
|
4 -> 11 = -0.258764
|
|
4 -> 12 = -0.200359
|
|
|
|
--------------------------------
|
|
Excitation n. 8: 12.307266 eV
|
|
--------------------------------
|
|
5 -> 7 = -0.219097
|
|
5 -> 11 = 0.082056
|
|
5 -> 12 = 0.643805
|
|
5 -> 19 = -0.076065
|
|
5 -> 20 = 0.147469
|
|
|
|
--------------------------------
|
|
Excitation n. 9: 13.003963 eV
|
|
--------------------------------
|
|
5 -> 7 = 0.223587
|
|
5 -> 11 = -0.640260
|
|
5 -> 12 = 0.155191
|
|
5 -> 19 = 0.102806
|
|
|
|
--------------------------------
|
|
Excitation n. 10: 13.153367 eV
|
|
--------------------------------
|
|
5 -> 10 = 0.142099
|
|
5 -> 13 = 0.672485
|
|
5 -> 21 = -0.080639
|
|
|
|
---------------------------------------------------------------------------------------------------
|
|
First-order dynamical correction to static Bethe-Salpeter excitation energies
|
|
---------------------------------------------------------------------------------------------------
|
|
BSE neutral excitation must be lower than the GW gap = 13.576629 eV
|
|
---------------------------------------------------------------------------------------------------
|
|
# Static (eV) Dynamic (eV) Correction (eV) Renorm. (eV)
|
|
---------------------------------------------------------------------------------------------------
|
|
1 8.138130 7.984911 -0.153219 1.013578
|
|
2 9.966900 9.894329 -0.072571 1.007500
|
|
3 10.282043 10.133154 -0.148889 1.012298
|
|
4 11.250121 11.152950 -0.097171 1.013017
|
|
5 11.310252 11.141657 -0.168595 1.018470
|
|
6 11.747217 11.609918 -0.137298 1.010807
|
|
7 12.125695 12.036245 -0.089450 1.008129
|
|
8 12.307266 12.151053 -0.156213 1.013590
|
|
9 13.003963 12.919401 -0.084562 1.010013
|
|
10 13.153367 13.088749 -0.064619 1.006382
|
|
---------------------------------------------------------------------------------------------------
|
|
|
|
|
|
-------------------------------------------------------------------------------
|
|
Tr@BSE@G0W0 correlation energy (singlet) = -0.2663604418
|
|
Tr@BSE@G0W0 correlation energy (triplet) = -0.0444152746
|
|
Tr@BSE@G0W0 correlation energy = -0.3107757163
|
|
Tr@BSE@G0W0 total energy = -76.3717771232
|
|
-------------------------------------------------------------------------------
|
|
|
|
Total CPU time for G0W0 = 46.891 seconds
|
|
|
|
Total CPU time for QuAcK = 101.153 seconds
|
|
|