Charge: 2
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+2
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.04400
Diff mu Y
(Debye)
0.04900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00529
-0.01189
0.00000
2
0.01343
0.03161
0.00000
3
-0.00466
0.00099
0.00000
4
-0.02793
0.04126
0.00000
5
-0.00551
-0.06918
0.00000
6
0.04659
0.01941
0.00000
7
0.01623
-0.00771
0.00000
8
0.02469
-0.01112
0.00000
9
-0.11403
0.05702
0.00000
10
0.02698
0.08260
0.00000
11
-0.01672
0.01426
0.00000
12
-0.08281
0.04034
0.00000
13
0.07776
-0.09321
0.00000
14
0.03605
-0.04328
0.00000
15
-0.01466
0.00298
0.00000
16
0.02981
-0.09609
0.00000
17
-0.00972
0.00205
0.00000
18
0.01339
0.00230
0.00000
19
0.01089
0.00983
0.00000
20
-0.02566
0.02811
0.00000
21
0.01153
-0.00168
0.00000
22
0.01173
-0.05201
0.00000
23
-0.10909
0.07471
0.00000
24
0.07236
0.03283
0.00000
25
-0.05449
0.12342
0.00000
26
0.06220
-0.14549
0.00000
27
-0.00412
0.00141
0.00000
28
0.11459
-0.08035
0.00000
29
0.03764
0.01656
0.00000
30
0.02475
-0.00959
0.00000
31
-0.01572
-0.02048
0.00000
32
-0.01847
0.05731
0.00000