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)
0.11800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03321
2
0.00000
0.00000
-0.03321
3
0.00000
0.00000
-0.01947
4
0.00000
0.00000
-0.02261
5
0.00000
0.00000
-0.02261
6
0.00000
0.00000
-0.01947
7
0.00000
0.00000
-0.06454
8
0.00000
0.00000
-0.06711
9
0.00000
0.00000
-0.06711
10
0.00000
0.00000
-0.06454
11
0.00000
0.00000
0.05157
12
0.00000
0.00000
0.04990
13
0.00000
0.00000
0.04990
14
0.00000
0.00000
0.05157
15
0.00000
0.00000
0.09965
16
0.00000
0.00000
0.09965
17
0.00000
0.00000
0.06816
18
0.00000
0.00000
0.06816
19
0.00000
0.00000
-0.00369
20
0.00000
0.00000
-0.00369
21
0.00000
0.00000
-0.07242
22
0.00000
0.00000
-0.07242
23
0.00000
0.00000
0.16598
24
0.00000
0.00000
0.16598
25
0.00000
0.00000
0.13096
26
0.00000
0.00000
0.13096
27
0.00000
0.00000
-0.00098
28
0.00000
0.00000
-0.00098
29
0.00000
0.00000
0.07282
30
0.00000
0.00000
0.07282
31
0.00000
0.00000
-0.08377
32
0.00000
0.00000
-0.08377
33
0.00000
0.00000
-0.12107
34
0.00000
0.00000
-0.12107