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)
-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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03711
2
0.00000
0.00000
0.03711
3
0.00000
0.00000
0.03150
4
0.00000
0.00000
-0.06197
5
0.00000
0.00000
0.06197
6
0.00000
0.00000
-0.03150
7
0.00000
0.00000
-0.06644
8
0.00000
0.00000
0.08284
9
0.00000
0.00000
-0.08284
10
0.00000
0.00000
0.06644
11
0.00000
0.00000
0.00894
12
0.00000
0.00000
0.03145
13
0.00000
0.00000
-0.03145
14
0.00000
0.00000
-0.00894
15
0.00000
0.00000
-0.02822
16
0.00000
0.00000
0.02822
17
0.00000
0.00000
-0.02419
18
0.00000
0.00000
0.02419
19
0.00000
0.00000
0.00132
20
0.00000
0.00000
-0.00132
21
0.00000
0.00000
0.04944
22
0.00000
0.00000
-0.04944
23
0.00000
0.00000
0.21613
24
0.00000
0.00000
-0.21613
25
0.00000
0.00000
0.14973
26
0.00000
0.00000
-0.14973
27
0.00000
0.00000
-0.05988
28
0.00000
0.00000
0.05988
29
0.00000
0.00000
0.09047
30
0.00000
0.00000
-0.09047
31
0.00000
0.00000
0.33964
32
0.00000
0.00000
-0.33964
33
0.00000
0.00000
-0.18266
34
0.00000
0.00000
0.18266