Charge: 2
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+2
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
0.01916
2
0.00000
0.00000
-0.01917
3
0.00000
0.00000
0.06012
4
0.00000
0.00000
0.01211
5
0.00000
0.00000
-0.01211
6
0.00000
0.00000
-0.06012
7
0.00000
0.00000
0.07934
8
0.00000
0.00000
0.08147
9
0.00000
0.00000
-0.08147
10
0.00000
0.00000
-0.07934
11
0.00000
0.00000
0.03729
12
0.00000
0.00000
-0.03805
13
0.00000
0.00000
0.03805
14
0.00000
0.00000
-0.03729
15
0.00000
0.00000
0.06137
16
0.00000
0.00000
-0.06137
17
0.00000
0.00000
-0.06045
18
0.00000
0.00000
0.06045
19
0.00000
0.00000
-0.09148
20
0.00000
0.00000
0.09148
21
0.00000
0.00000
0.01700
22
0.00000
0.00000
-0.01700
23
0.00000
0.00000
0.07783
24
0.00000
0.00000
-0.07783
25
0.00000
0.00000
-0.11874
26
0.00000
0.00000
0.11874
27
0.00000
0.00000
-0.17996
28
0.00000
0.00000
0.17996
29
0.00000
0.00000
0.04169
30
0.00000
0.00000
-0.04169
31
0.00000
0.00000
-0.11177
32
0.00000
0.00000
0.11177
33
0.00000
0.00000
0.03099
34
0.00000
0.00000
-0.03099