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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
-0.22400
Diff mu Y
(Debye)
-0.17800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01137
-0.02290
0.00000
2
0.01137
-0.02290
0.00000
3
0.01757
0.01808
0.00000
4
-0.02306
0.05214
0.00000
5
-0.02306
0.05214
0.00000
6
0.01757
0.01809
0.00000
7
0.00259
0.07026
0.00000
8
0.00148
-0.01126
0.00000
9
0.00148
-0.01126
0.00000
10
0.00259
0.07026
0.00000
11
-0.02387
-0.02754
0.00000
12
0.01955
-0.00787
0.00000
13
0.01955
-0.00787
0.00000
14
-0.02386
-0.02754
0.00000
15
0.00832
-0.00310
0.00000
16
0.00831
-0.00310
0.00000
17
0.00980
0.01674
0.00000
18
0.00980
0.01674
0.00000
19
-0.03000
0.01673
0.00000
20
-0.03001
0.01673
0.00000
21
-0.00513
-0.04796
0.00000
22
-0.00513
-0.04796
0.00000
23
0.02521
0.00837
0.00000
24
0.02523
0.00839
0.00000
25
0.09673
0.09474
0.00000
26
0.09674
0.09474
0.00000
27
-0.15690
0.05808
0.00000
28
-0.15695
0.05810
0.00000
29
0.04121
-0.09424
0.00000
30
0.04122
-0.09429
0.00000
31
0.06858
-0.32797
0.00000
32
0.06858
-0.32799
0.00000
33
0.06068
-0.37391
0.00000
34
0.06068
-0.37393
0.00000