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)
0.09700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01985
2
0.00000
0.00000
0.07076
3
0.00000
0.00000
-0.10924
4
0.00000
0.00000
-0.06832
5
0.00000
0.00000
0.02741
6
0.00000
0.00000
0.04862
7
0.00000
0.00000
0.02257
8
0.00000
0.00000
-0.00731
9
0.00000
0.00000
0.01027
10
0.00000
0.00000
-0.00333
11
0.00000
0.00000
-0.00489
12
0.00000
0.00000
-0.02801
13
0.00000
0.00000
-0.05578
14
0.00000
0.00000
-0.06463
15
0.00000
0.00000
0.11022
16
0.00000
0.00000
0.06063
17
0.00000
0.00000
-0.03582
18
0.00000
0.00000
0.07840
19
0.00000
0.00000
-0.05969
20
0.00000
0.00000
0.02888
21
0.00000
0.00000
0.21162
22
0.00000
0.00000
0.12787
23
0.00000
0.00000
-0.05129
24
0.00000
0.00000
-0.09930
25
0.00000
0.00000
0.00258
26
0.00000
0.00000
-0.20580
27
0.00000
0.00000
-0.15851
28
0.00000
0.00000
0.13188
29
0.00000
0.00000
-0.22559
30
0.00000
0.00000
0.07129
31
0.00000
0.00000
-0.18577
32
0.00000
0.00000
-0.10215