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)
-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)
0.29100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02736
2
0.00000
0.00000
0.02737
3
0.00000
0.00000
-0.05754
4
0.00000
0.00000
0.05890
5
0.00000
0.00000
0.05890
6
0.00000
0.00000
-0.05754
7
0.00000
0.00000
-0.04496
8
0.00000
0.00000
-0.04094
9
0.00000
0.00000
-0.04094
10
0.00000
0.00000
-0.04496
11
0.00000
0.00000
0.01813
12
0.00000
0.00000
0.01300
13
0.00000
0.00000
0.01300
14
0.00000
0.00000
0.01813
15
0.00000
0.00000
-0.02882
16
0.00000
0.00000
-0.02882
17
0.00000
0.00000
0.05369
18
0.00000
0.00000
0.05369
19
0.00000
0.00000
-0.08583
20
0.00000
0.00000
-0.08583
21
0.00000
0.00000
0.07715
22
0.00000
0.00000
0.07715
23
0.00000
0.00000
-0.09700
24
0.00000
0.00000
-0.09700
25
0.00000
0.00000
0.17991
26
0.00000
0.00000
0.17991
27
0.00000
0.00000
-0.12768
28
0.00000
0.00000
-0.12768
29
0.00000
0.00000
-0.02250
30
0.00000
0.00000
-0.02250
31
0.00000
0.00000
-0.10524
32
0.00000
0.00000
-0.10524
33
0.00000
0.00000
0.28991
34
0.00000
0.00000
0.28991