Charge: 1
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+1
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.03900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00132
2
0.00000
0.00000
0.00270
3
0.00000
0.00000
-0.00292
4
0.00000
0.00000
-0.00031
5
0.00000
0.00000
0.02691
6
0.00000
0.00000
-0.01975
7
0.00000
0.00000
0.03211
8
0.00000
0.00000
-0.02483
9
0.00000
0.00000
-0.10113
10
0.00000
0.00000
0.08876
11
0.00000
0.00000
-0.00283
12
0.00000
0.00000
-0.00678
13
0.00000
0.00000
-0.01845
14
0.00000
0.00000
0.00995
15
0.00000
0.00000
0.00232
16
0.00000
0.00000
0.01067
17
0.00000
0.00000
0.01494
18
0.00000
0.00000
-0.00325
19
0.00000
0.00000
-0.01234
20
0.00000
0.00000
0.00660
21
0.00000
0.00000
-0.20160
22
0.00000
0.00000
0.15202
23
0.00000
0.00000
0.60096
24
0.00000
0.00000
-0.52708
25
0.00000
0.00000
0.04028
26
0.00000
0.00000
0.06096
27
0.00000
0.00000
-0.01245
28
0.00000
0.00000
-0.08413
29
0.00000
0.00000
0.07438
30
0.00000
0.00000
0.01679
31
0.00000
0.00000
-0.09118
32
0.00000
0.00000
-0.04165