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)
0.88200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05410
2
0.00000
0.00000
-0.05410
3
0.00000
0.00000
0.10445
4
0.00000
0.00000
0.03325
5
0.00000
0.00000
0.03325
6
0.00000
0.00000
0.10445
7
0.00000
0.00000
-0.03126
8
0.00000
0.00000
0.01028
9
0.00000
0.00000
0.01028
10
0.00000
0.00000
-0.03126
11
0.00000
0.00000
-0.05542
12
0.00000
0.00000
-0.01779
13
0.00000
0.00000
-0.01779
14
0.00000
0.00000
-0.05542
15
0.00000
0.00000
0.02753
16
0.00000
0.00000
0.02753
17
0.00000
0.00000
-0.01641
18
0.00000
0.00000
-0.01641
19
0.00000
0.00000
-0.04151
20
0.00000
0.00000
-0.04151
21
0.00000
0.00000
-0.01741
22
0.00000
0.00000
-0.01741
23
0.00000
0.00000
0.00922
24
0.00000
0.00000
0.00922
25
0.00000
0.00000
0.28615
26
0.00000
0.00000
0.28615
27
0.00000
0.00000
0.25636
28
0.00000
0.00000
0.25636
29
0.00000
0.00000
-0.07862
30
0.00000
0.00000
-0.07862
31
0.00000
0.00000
-0.04710
32
0.00000
0.00000
-0.04710
33
0.00000
0.00000
0.26929
34
0.00000
0.00000
0.26929