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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 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
-0.00004
0.00000
0.00000
2
0.00004
0.00000
0.00000
3
-0.00011
0.00038
0.00000
4
-0.00043
0.00117
0.00000
5
0.00043
-0.00117
0.00000
6
0.00011
-0.00038
0.00000
7
0.00016
0.00039
0.00000
8
-0.00374
-0.00105
0.00000
9
0.00374
0.00105
0.00000
10
-0.00016
-0.00039
0.00000
11
0.00118
0.00049
0.00000
12
0.02695
0.00725
0.00000
13
-0.02695
-0.00725
0.00000
14
-0.00118
-0.00049
0.00000
15
-0.02728
0.03612
0.00000
16
0.02728
-0.03612
0.00000
17
-0.01028
0.01211
0.00000
18
0.01028
-0.01211
0.00000
19
-0.00451
-0.01529
0.00000
20
0.00451
0.01529
0.00000
21
-0.01550
-0.00188
0.00000
22
0.01550
0.00188
0.00000
23
0.32771
-0.39049
0.00000
24
-0.32771
0.39049
0.00000
25
0.12084
-0.14498
0.00000
26
-0.12084
0.14498
0.00000
27
0.05812
0.16975
0.00000
28
-0.05812
-0.16975
0.00000
29
0.29714
0.05641
0.00000
30
-0.29714
-0.05641
0.00000
31
-0.04711
-0.00758
0.00000
32
0.04711
0.00758
0.00000
33
0.17607
0.02905
0.00000
34
-0.17607
-0.02905
0.00000