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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
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
-0.00015
-0.00010
0.00000
2
0.00015
0.00010
0.00000
3
0.00002
0.00022
0.00000
4
0.00026
0.00009
0.00000
5
-0.00026
-0.00009
0.00000
6
-0.00002
-0.00022
0.00000
7
0.00038
0.00057
0.00000
8
-0.01216
-0.00234
0.00000
9
0.01216
0.00234
0.00000
10
-0.00038
-0.00057
0.00000
11
0.00124
0.00153
0.00000
12
-0.01298
-0.00181
0.00000
13
0.01298
0.00181
0.00000
14
-0.00124
-0.00153
0.00000
15
-0.01264
0.01463
0.00000
16
0.01264
-0.01463
0.00000
17
0.02387
-0.02900
0.00000
18
-0.02387
0.02900
0.00000
19
0.00697
0.02162
0.00000
20
-0.00697
-0.02162
0.00000
21
-0.02685
-0.00539
0.00000
22
0.02685
0.00539
0.00000
23
0.14404
-0.17205
0.00000
24
-0.14404
0.17205
0.00000
25
-0.27814
0.32840
0.00000
26
0.27814
-0.32840
0.00000
27
-0.09106
-0.26064
0.00000
28
0.09106
0.26064
0.00000
29
-0.15323
-0.02731
0.00000
30
0.15323
0.02731
0.00000
31
-0.13986
-0.02436
0.00000
32
0.13986
0.02436
0.00000
33
0.31030
0.05853
0.00000
34
-0.31030
-0.05853
0.00000