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)
-844.32045
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)
-0.43700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07419
2
0.00000
0.00000
-0.07419
3
0.00000
0.00000
0.04606
4
0.00000
0.00000
0.03616
5
0.00000
0.00000
0.03616
6
0.00000
0.00000
0.04606
7
0.00000
0.00000
-0.06698
8
0.00000
0.00000
0.02153
9
0.00000
0.00000
0.02153
10
0.00000
0.00000
-0.06698
11
0.00000
0.00000
0.10667
12
0.00000
0.00000
0.00256
13
0.00000
0.00000
0.00256
14
0.00000
0.00000
0.10667
15
0.00000
0.00000
-0.01160
16
0.00000
0.00000
-0.01160
17
0.00000
0.00000
-0.05909
18
0.00000
0.00000
-0.05909
19
0.00000
0.00000
0.05454
20
0.00000
0.00000
0.05454
21
0.00000
0.00000
-0.02416
22
0.00000
0.00000
-0.02416
23
0.00000
0.00000
-0.15235
24
0.00000
0.00000
-0.15235
25
0.00000
0.00000
-0.24935
26
0.00000
0.00000
-0.24935
27
0.00000
0.00000
0.07628
28
0.00000
0.00000
0.07628
29
0.00000
0.00000
-0.09379
30
0.00000
0.00000
-0.09379
31
0.00000
0.00000
0.08828
32
0.00000
0.00000
0.08828
33
0.00000
0.00000
-0.04395
34
0.00000
0.00000
-0.04395