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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.07300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00410
2
0.00000
0.00000
-0.00508
3
0.00000
0.00000
0.05246
4
0.00000
0.00000
-0.06440
5
0.00000
0.00000
-0.05906
6
0.00000
0.00000
0.05860
7
0.00000
0.00000
0.09263
8
0.00000
0.00000
-0.00822
9
0.00000
0.00000
-0.08910
10
0.00000
0.00000
0.01129
11
0.00000
0.00000
0.04138
12
0.00000
0.00000
-0.12026
13
0.00000
0.00000
-0.03486
14
0.00000
0.00000
0.12113
15
0.00000
0.00000
0.03387
16
0.00000
0.00000
0.00180
17
0.00000
0.00000
-0.01432
18
0.00000
0.00000
-0.04796
19
0.00000
0.00000
0.00108
20
0.00000
0.00000
0.04333
21
0.00000
0.00000
0.17947
22
0.00000
0.00000
-0.02041
23
0.00000
0.00000
-0.15518
24
0.00000
0.00000
0.03563
25
0.00000
0.00000
-0.22029
26
0.00000
0.00000
-0.07004
27
0.00000
0.00000
0.22570
28
0.00000
0.00000
0.00475
29
0.00000
0.00000
-0.00665
30
0.00000
0.00000
-0.10757
31
0.00000
0.00000
-0.05014
32
0.00000
0.00000
0.06308