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)
0.26300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07246
2
0.00000
0.00000
0.07246
3
0.00000
0.00000
-0.06725
4
0.00000
0.00000
0.01586
5
0.00000
0.00000
0.01586
6
0.00000
0.00000
-0.06725
7
0.00000
0.00000
-0.07053
8
0.00000
0.00000
0.05006
9
0.00000
0.00000
0.05006
10
0.00000
0.00000
-0.07053
11
0.00000
0.00000
-0.00102
12
0.00000
0.00000
-0.08843
13
0.00000
0.00000
-0.08843
14
0.00000
0.00000
-0.00102
15
0.00000
0.00000
0.08183
16
0.00000
0.00000
0.08183
17
0.00000
0.00000
-0.02941
18
0.00000
0.00000
-0.02941
19
0.00000
0.00000
0.01243
20
0.00000
0.00000
0.01243
21
0.00000
0.00000
0.00507
22
0.00000
0.00000
0.00507
23
0.00000
0.00000
0.16946
24
0.00000
0.00000
0.16946
25
0.00000
0.00000
-0.02539
26
0.00000
0.00000
-0.02539
27
0.00000
0.00000
0.07145
28
0.00000
0.00000
0.07145
29
0.00000
0.00000
-0.20819
30
0.00000
0.00000
-0.20819
31
0.00000
0.00000
0.12906
32
0.00000
0.00000
0.12906
33
0.00000
0.00000
0.08900
34
0.00000
0.00000
0.08900