Charge: 0
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
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.08615
2
0.00000
0.00000
-0.08615
3
0.00000
0.00000
-0.04040
4
0.00000
0.00000
-0.10380
5
0.00000
0.00000
0.10380
6
0.00000
0.00000
0.04040
7
0.00000
0.00000
-0.07514
8
0.00000
0.00000
0.05059
9
0.00000
0.00000
-0.05059
10
0.00000
0.00000
0.07514
11
0.00000
0.00000
0.02679
12
0.00000
0.00000
0.04038
13
0.00000
0.00000
-0.04038
14
0.00000
0.00000
-0.02679
15
0.00000
0.00000
0.02237
16
0.00000
0.00000
-0.02237
17
0.00000
0.00000
-0.00781
18
0.00000
0.00000
0.00781
19
0.00000
0.00000
-0.00489
20
0.00000
0.00000
0.00489
21
0.00000
0.00000
0.01047
22
0.00000
0.00000
-0.01047
23
0.00000
0.00000
-0.00891
24
0.00000
0.00000
0.00891
25
0.00000
0.00000
-0.00558
26
0.00000
0.00000
0.00558
27
0.00000
0.00000
0.01893
28
0.00000
0.00000
-0.01893
29
0.00000
0.00000
-0.19187
30
0.00000
0.00000
0.19187
31
0.00000
0.00000
-0.28502
32
0.00000
0.00000
0.28502
33
0.00000
0.00000
0.08702
34
0.00000
0.00000
-0.08702