Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q-1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 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)
-0.06000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08417
2
0.00000
0.00000
0.08417
3
0.00000
0.00000
0.01131
4
0.00000
0.00000
0.03406
5
0.00000
0.00000
0.03406
6
0.00000
0.00000
0.01131
7
0.00000
0.00000
-0.05615
8
0.00000
0.00000
-0.09811
9
0.00000
0.00000
-0.09811
10
0.00000
0.00000
-0.05615
11
0.00000
0.00000
-0.04834
12
0.00000
0.00000
0.05277
13
0.00000
0.00000
0.05277
14
0.00000
0.00000
-0.04834
15
0.00000
0.00000
-0.00811
16
0.00000
0.00000
-0.00811
17
0.00000
0.00000
-0.05681
18
0.00000
0.00000
-0.05681
19
0.00000
0.00000
0.06763
20
0.00000
0.00000
0.06763
21
0.00000
0.00000
0.02057
22
0.00000
0.00000
0.02057
23
0.00000
0.00000
-0.02010
24
0.00000
0.00000
-0.02010
25
0.00000
0.00000
-0.10781
26
0.00000
0.00000
-0.10781
27
0.00000
0.00000
0.15598
28
0.00000
0.00000
0.15598
29
0.00000
0.00000
0.08022
30
0.00000
0.00000
0.08022
31
0.00000
0.00000
-0.19734
32
0.00000
0.00000
-0.19734
33
0.00000
0.00000
0.05340
34
0.00000
0.00000
0.05340