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
0.00000
0.00000
0.10252
2
0.00000
0.00000
-0.10252
3
0.00000
0.00000
-0.05687
4
0.00000
0.00000
0.04918
5
0.00000
0.00000
-0.04918
6
0.00000
0.00000
0.05687
7
0.00000
0.00000
-0.00077
8
0.00000
0.00000
-0.01959
9
0.00000
0.00000
0.01959
10
0.00000
0.00000
0.00077
11
0.00000
0.00000
0.01005
12
0.00000
0.00000
0.00564
13
0.00000
0.00000
-0.00564
14
0.00000
0.00000
-0.01005
15
0.00000
0.00000
-0.03407
16
0.00000
0.00000
0.03407
17
0.00000
0.00000
0.03971
18
0.00000
0.00000
-0.03971
19
0.00000
0.00000
0.02072
20
0.00000
0.00000
-0.02072
21
0.00000
0.00000
0.03788
22
0.00000
0.00000
-0.03788
23
0.00000
0.00000
0.13735
24
0.00000
0.00000
-0.13735
25
0.00000
0.00000
-0.22348
26
0.00000
0.00000
0.22347
27
0.00000
0.00000
-0.30804
28
0.00000
0.00000
0.30804
29
0.00000
0.00000
0.19954
30
0.00000
0.00000
-0.19954
31
0.00000
0.00000
-0.01400
32
0.00000
0.00000
0.01400
33
0.00000
0.00000
-0.19752
34
0.00000
0.00000
0.19752