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)
-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)
0.61300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.08884
2
0.00000
0.00000
-0.08884
3
0.00000
0.00000
-0.08376
4
0.00000
0.00000
0.00222
5
0.00000
0.00000
0.00222
6
0.00000
0.00000
-0.08376
7
0.00000
0.00000
-0.01558
8
0.00000
0.00000
0.04640
9
0.00000
0.00000
0.04640
10
0.00000
0.00000
-0.01558
11
0.00000
0.00000
-0.05600
12
0.00000
0.00000
0.08832
13
0.00000
0.00000
0.08832
14
0.00000
0.00000
-0.05601
15
0.00000
0.00000
0.03514
16
0.00000
0.00000
0.03514
17
0.00000
0.00000
-0.04379
18
0.00000
0.00000
-0.04380
19
0.00000
0.00000
0.01830
20
0.00000
0.00000
0.01830
21
0.00000
0.00000
0.05225
22
0.00000
0.00000
0.05226
23
0.00000
0.00000
0.08558
24
0.00000
0.00000
0.08558
25
0.00000
0.00000
-0.05785
26
0.00000
0.00000
-0.05786
27
0.00000
0.00000
0.05346
28
0.00000
0.00000
0.05346
29
0.00000
0.00000
0.19000
30
0.00000
0.00000
0.19001
31
0.00000
0.00000
0.13821
32
0.00000
0.00000
0.13821
33
0.00000
0.00000
0.13043
34
0.00000
0.00000
0.13044