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)
-0.02900
Diff mu Y
(Debye)
0.48400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04761
0.01420
0.00000
2
-0.04761
0.01420
0.00000
3
0.08787
-0.02754
0.00000
4
-0.02441
0.03239
0.00000
5
-0.02441
0.03239
0.00000
6
0.08787
-0.02754
0.00000
7
0.03993
0.01697
0.00000
8
-0.04697
0.02634
0.00000
9
-0.04697
0.02634
0.00000
10
0.03993
0.01697
0.00000
11
0.02512
-0.03115
0.00000
12
0.06058
-0.00985
0.00000
13
0.06058
-0.00985
0.00000
14
0.02512
-0.03115
0.00000
15
-0.05835
0.00979
0.00000
16
-0.05835
0.00979
0.00000
17
-0.03393
0.02425
0.00000
18
-0.03393
0.02425
0.00000
19
0.02393
0.00634
0.00000
20
0.02393
0.00634
0.00000
21
-0.02047
-0.02434
0.00000
22
-0.02047
-0.02434
0.00000
23
-0.18206
-0.09554
0.00000
24
-0.18206
-0.09554
0.00000
25
-0.12638
-0.05381
0.00000
26
-0.12638
-0.05381
0.00000
27
0.20701
-0.05735
0.00000
28
0.20701
-0.05735
0.00000
29
0.08517
-0.13025
0.00000
30
0.08517
-0.13025
0.00000
31
-0.04402
-0.00846
0.00000
32
-0.04402
-0.00846
0.00000
33
-0.00748
-0.09997
0.00000
34
-0.00748
-0.09997
0.00000