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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00975
-0.00231
0.00000
2
-0.00974
0.00231
0.00000
3
-0.03701
0.01206
0.00000
4
-0.03768
0.03483
0.00000
5
0.03768
-0.03483
0.00000
6
0.03701
-0.01205
0.00000
7
-0.01978
-0.00251
0.00000
8
0.02779
-0.00670
0.00000
9
-0.02779
0.00670
0.00000
10
0.01978
0.00251
0.00000
11
0.01785
0.02335
0.00000
12
0.04573
0.03982
0.00000
13
-0.04573
-0.03982
0.00000
14
-0.01785
-0.02335
0.00000
15
0.02059
0.04124
0.00000
16
-0.02059
-0.04124
0.00000
17
0.02125
-0.00021
0.00000
18
-0.02125
0.00021
0.00000
19
-0.03984
0.00589
0.00000
20
0.03984
-0.00589
0.00000
21
0.02393
-0.01455
0.00000
22
-0.02393
0.01455
0.00000
23
0.25098
0.25028
0.00000
24
-0.25098
-0.25029
0.00000
25
0.08198
0.05066
0.00000
26
-0.08198
-0.05066
0.00000
27
-0.27833
0.08360
0.00000
28
0.27833
-0.08360
0.00000
29
-0.01035
-0.24699
0.00000
30
0.01035
0.24700
0.00000
31
-0.05387
0.12329
0.00000
32
0.05387
-0.12330
0.00000
33
0.05003
-0.12876
0.00000
34
-0.05003
0.12876
0.00000