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)
-844.57197
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)
-0.11200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06718
2
0.00000
0.00000
-0.06718
3
0.00000
0.00000
0.06500
4
0.00000
0.00000
0.01598
5
0.00000
0.00000
0.01598
6
0.00000
0.00000
0.06500
7
0.00000
0.00000
-0.05281
8
0.00000
0.00000
0.02122
9
0.00000
0.00000
0.02122
10
0.00000
0.00000
-0.05281
11
0.00000
0.00000
0.08430
12
0.00000
0.00000
0.00849
13
0.00000
0.00000
0.00849
14
0.00000
0.00000
0.08430
15
0.00000
0.00000
-0.00468
16
0.00000
0.00000
-0.00468
17
0.00000
0.00000
-0.07583
18
0.00000
0.00000
-0.07583
19
0.00000
0.00000
0.07424
20
0.00000
0.00000
0.07424
21
0.00000
0.00000
-0.04875
22
0.00000
0.00000
-0.04875
23
0.00000
0.00000
-0.14207
24
0.00000
0.00000
-0.14207
25
0.00000
0.00000
-0.21868
26
0.00000
0.00000
-0.21868
27
0.00000
0.00000
0.14358
28
0.00000
0.00000
0.14358
29
0.00000
0.00000
-0.07248
30
0.00000
0.00000
-0.07248
31
0.00000
0.00000
0.08559
32
0.00000
0.00000
0.08559
33
0.00000
0.00000
-0.03377
34
0.00000
0.00000
-0.03377