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
0.00000
0.00000
0.00084
2
0.00000
0.00000
-0.00084
3
0.00000
0.00000
0.00060
4
0.00000
0.00000
-0.01391
5
0.00000
0.00000
0.01391
6
0.00000
0.00000
-0.00060
7
0.00000
0.00000
0.00002
8
0.00000
0.00000
0.01051
9
0.00000
0.00000
-0.01051
10
0.00000
0.00000
-0.00002
11
0.00000
0.00000
-0.01206
12
0.00000
0.00000
0.07031
13
0.00000
0.00000
-0.07031
14
0.00000
0.00000
0.01206
15
0.00000
0.00000
0.07013
16
0.00000
0.00000
-0.07013
17
0.00000
0.00000
-0.00930
18
0.00000
0.00000
0.00930
19
0.00000
0.00000
0.03563
20
0.00000
0.00000
-0.03563
21
0.00000
0.00000
-0.02364
22
0.00000
0.00000
0.02364
23
0.00000
0.00000
-0.38174
24
0.00000
0.00000
0.38174
25
0.00000
0.00000
0.05532
26
0.00000
0.00000
-0.05532
27
0.00000
0.00000
-0.19988
28
0.00000
0.00000
0.19988
29
0.00000
0.00000
0.38017
30
0.00000
0.00000
-0.38017
31
0.00000
0.00000
0.04504
32
0.00000
0.00000
-0.04504
33
0.00000
0.00000
0.12346
34
0.00000
0.00000
-0.12346