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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00318
0.04210
0.00000
2
-0.00318
-0.04210
0.00000
3
-0.02634
-0.01453
0.00000
4
0.00014
0.00854
0.00000
5
-0.00014
-0.00854
0.00000
6
0.02634
0.01453
0.00000
7
-0.00210
-0.01815
0.00000
8
0.00747
-0.03335
0.00000
9
-0.00747
0.03335
0.00000
10
0.00210
0.01815
0.00000
11
0.04729
0.01375
0.00000
12
-0.00502
0.06878
0.00000
13
0.00502
-0.06878
0.00000
14
-0.04729
-0.01375
0.00000
15
-0.02096
0.03103
0.00000
16
0.02096
-0.03103
0.00000
17
0.00799
-0.02622
0.00000
18
-0.00799
0.02622
0.00000
19
-0.08097
0.01178
0.00000
20
0.08097
-0.01178
0.00000
21
0.02623
0.04927
0.00000
22
-0.02623
-0.04927
0.00000
23
-0.00050
0.05961
0.00000
24
0.00050
-0.05961
0.00000
25
0.10832
0.05035
0.00000
26
-0.10832
-0.05035
0.00000
27
0.28039
-0.11732
0.00000
28
-0.28039
0.11732
0.00000
29
-0.04514
0.17685
0.00000
30
0.04514
-0.17685
0.00000
31
0.02221
-0.11705
0.00000
32
-0.02221
0.11705
0.00000
33
0.08367
-0.22952
0.00000
34
-0.08367
0.22952
0.00000