Charge: 1
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+1
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)
0.15800
Diff mu Y
(Debye)
0.56400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01705
-0.08361
0.00000
2
0.01705
-0.08361
0.00000
3
0.00093
-0.06186
0.00000
4
0.00488
-0.00469
0.00000
5
0.00488
-0.00469
0.00000
6
0.00093
-0.06186
0.00000
7
0.02774
-0.03316
0.00000
8
0.07471
-0.02006
0.00000
9
0.07471
-0.02006
0.00000
10
0.02774
-0.03316
0.00000
11
-0.01568
0.01385
0.00000
12
-0.04504
0.01128
0.00000
13
-0.04504
0.01128
0.00000
14
-0.01568
0.01385
0.00000
15
-0.07369
0.04219
0.00000
16
-0.07369
0.04219
0.00000
17
0.01742
0.04985
0.00000
18
0.01742
0.04985
0.00000
19
0.02404
0.07453
0.00000
20
0.02404
0.07453
0.00000
21
-0.03364
0.00779
0.00000
22
-0.03364
0.00779
0.00000
23
-0.08152
0.03334
0.00000
24
-0.08152
0.03334
0.00000
25
0.01074
0.04265
0.00000
26
0.01074
0.04265
0.00000
27
0.07539
0.05883
0.00000
28
0.07539
0.05883
0.00000
29
-0.03858
-0.03926
0.00000
30
-0.03858
-0.03926
0.00000
31
0.08121
-0.05596
0.00000
32
0.08121
-0.05596
0.00000
33
-0.03198
0.00670
0.00000
34
-0.03198
0.00670
0.00000