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)
0.47500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09035
2
0.00000
0.00000
-0.09035
3
0.00000
0.00000
-0.08315
4
0.00000
0.00000
0.00124
5
0.00000
0.00000
0.00124
6
0.00000
0.00000
-0.08315
7
0.00000
0.00000
-0.01339
8
0.00000
0.00000
0.04705
9
0.00000
0.00000
0.04705
10
0.00000
0.00000
-0.01339
11
0.00000
0.00000
-0.05760
12
0.00000
0.00000
0.08782
13
0.00000
0.00000
0.08782
14
0.00000
0.00000
-0.05760
15
0.00000
0.00000
0.03403
16
0.00000
0.00000
0.03403
17
0.00000
0.00000
-0.04229
18
0.00000
0.00000
-0.04229
19
0.00000
0.00000
0.01806
20
0.00000
0.00000
0.01806
21
0.00000
0.00000
0.05172
22
0.00000
0.00000
0.05172
23
0.00000
0.00000
0.08845
24
0.00000
0.00000
0.08845
25
0.00000
0.00000
-0.04628
26
0.00000
0.00000
-0.04628
27
0.00000
0.00000
0.05545
28
0.00000
0.00000
0.05545
29
0.00000
0.00000
0.19133
30
0.00000
0.00000
0.19133
31
0.00000
0.00000
0.14034
32
0.00000
0.00000
0.14034
33
0.00000
0.00000
0.12874
34
0.00000
0.00000
0.12874