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)
-0.30800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01534
2
0.00000
0.00000
0.01534
3
0.00000
0.00000
0.05631
4
0.00000
0.00000
-0.08512
5
0.00000
0.00000
-0.08512
6
0.00000
0.00000
0.05631
7
0.00000
0.00000
0.07515
8
0.00000
0.00000
0.02354
9
0.00000
0.00000
0.02354
10
0.00000
0.00000
0.07515
11
0.00000
0.00000
-0.07825
12
0.00000
0.00000
-0.00992
13
0.00000
0.00000
-0.00992
14
0.00000
0.00000
-0.07825
15
0.00000
0.00000
0.02299
16
0.00000
0.00000
0.02299
17
0.00000
0.00000
-0.03267
18
0.00000
0.00000
-0.03267
19
0.00000
0.00000
0.05965
20
0.00000
0.00000
0.05965
21
0.00000
0.00000
-0.06741
22
0.00000
0.00000
-0.06741
23
0.00000
0.00000
0.18115
24
0.00000
0.00000
0.18115
25
0.00000
0.00000
0.01136
26
0.00000
0.00000
0.01136
27
0.00000
0.00000
0.12029
28
0.00000
0.00000
0.12029
29
0.00000
0.00000
0.13493
30
0.00000
0.00000
0.13493
31
0.00000
0.00000
-0.00458
32
0.00000
0.00000
-0.00458
33
0.00000
0.00000
-0.20056
34
0.00000
0.00000
-0.20056