Charge: 0
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
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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)
0.29200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05660
2
0.00000
0.00000
-0.05660
3
0.00000
0.00000
-0.02615
4
0.00000
0.00000
-0.06246
5
0.00000
0.00000
-0.06246
6
0.00000
0.00000
-0.02615
7
0.00000
0.00000
-0.00697
8
0.00000
0.00000
-0.04121
9
0.00000
0.00000
-0.04121
10
0.00000
0.00000
-0.00697
11
0.00000
0.00000
0.00486
12
0.00000
0.00000
-0.06116
13
0.00000
0.00000
-0.06116
14
0.00000
0.00000
0.00486
15
0.00000
0.00000
-0.02515
16
0.00000
0.00000
-0.02514
17
0.00000
0.00000
0.07870
18
0.00000
0.00000
0.07870
19
0.00000
0.00000
0.11331
20
0.00000
0.00000
0.11331
21
0.00000
0.00000
0.06278
22
0.00000
0.00000
0.06278
23
0.00000
0.00000
-0.01264
24
0.00000
0.00000
-0.01264
25
0.00000
0.00000
0.11082
26
0.00000
0.00000
0.11082
27
0.00000
0.00000
0.17416
28
0.00000
0.00000
0.17416
29
0.00000
0.00000
-0.07705
30
0.00000
0.00000
-0.07705
31
0.00000
0.00000
-0.03769
32
0.00000
0.00000
-0.03769
33
0.00000
0.00000
0.08103
34
0.00000
0.00000
0.08103