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
0.06315
2
0.00000
0.00000
-0.06315
3
0.00000
0.00000
-0.08024
4
0.00000
0.00000
0.01367
5
0.00000
0.00000
-0.01367
6
0.00000
0.00000
0.08024
7
0.00000
0.00000
0.05485
8
0.00000
0.00000
-0.01668
9
0.00000
0.00000
0.01668
10
0.00000
0.00000
-0.05485
11
0.00000
0.00000
0.09634
12
0.00000
0.00000
0.02500
13
0.00000
0.00000
-0.02500
14
0.00000
0.00000
-0.09634
15
0.00000
0.00000
-0.05274
16
0.00000
0.00000
0.05274
17
0.00000
0.00000
-0.05628
18
0.00000
0.00000
0.05628
19
0.00000
0.00000
0.00506
20
0.00000
0.00000
-0.00506
21
0.00000
0.00000
-0.01362
22
0.00000
0.00000
0.01362
23
0.00000
0.00000
0.14645
24
0.00000
0.00000
-0.14645
25
0.00000
0.00000
0.15892
26
0.00000
0.00000
-0.15892
27
0.00000
0.00000
0.11103
28
0.00000
0.00000
-0.11103
29
0.00000
0.00000
0.27922
30
0.00000
0.00000
-0.27922
31
0.00000
0.00000
-0.00163
32
0.00000
0.00000
0.00163
33
0.00000
0.00000
-0.04822
34
0.00000
0.00000
0.04822