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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.10300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00182
2
0.00000
0.00000
0.00182
3
0.00000
0.00000
0.00146
4
0.00000
0.00000
0.01150
5
0.00000
0.00000
0.01150
6
0.00000
0.00000
0.00146
7
0.00000
0.00000
0.00125
8
0.00000
0.00000
-0.01115
9
0.00000
0.00000
-0.01115
10
0.00000
0.00000
0.00125
11
0.00000
0.00000
-0.01145
12
0.00000
0.00000
-0.06032
13
0.00000
0.00000
-0.06032
14
0.00000
0.00000
-0.01145
15
0.00000
0.00000
0.05709
16
0.00000
0.00000
0.05709
17
0.00000
0.00000
-0.01234
18
0.00000
0.00000
-0.01234
19
0.00000
0.00000
0.04608
20
0.00000
0.00000
0.04608
21
0.00000
0.00000
-0.02295
22
0.00000
0.00000
-0.02295
23
0.00000
0.00000
-0.35051
24
0.00000
0.00000
-0.35051
25
0.00000
0.00000
0.09904
26
0.00000
0.00000
0.09904
27
0.00000
0.00000
-0.30065
28
0.00000
0.00000
-0.30065
29
0.00000
0.00000
0.36417
30
0.00000
0.00000
0.36417
31
0.00000
0.00000
0.03922
32
0.00000
0.00000
0.03922
33
0.00000
0.00000
0.13680
34
0.00000
0.00000
0.13680