Charge: 2
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+2
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
0.09087
-0.05499
0.00000
2
-0.09087
0.05499
0.00000
3
-0.00401
-0.03810
0.00000
4
0.05096
0.00235
0.00000
5
-0.05096
-0.00235
0.00000
6
0.00401
0.03810
0.00000
7
0.03083
0.05435
0.00000
8
-0.01251
-0.04569
0.00000
9
0.01251
0.04569
0.00000
10
-0.03083
-0.05435
0.00000
11
-0.06422
0.04537
0.00000
12
0.00553
0.04164
0.00000
13
-0.00553
-0.04164
0.00000
14
0.06422
-0.04537
0.00000
15
0.04000
0.02657
0.00000
16
-0.04000
-0.02657
0.00000
17
0.05054
0.00886
0.00000
18
-0.05054
-0.00886
0.00000
19
-0.03068
0.00063
0.00000
20
0.03068
-0.00063
0.00000
21
-0.00187
-0.02941
0.00000
22
0.00187
0.02941
0.00000
23
0.02410
0.01533
0.00000
24
-0.02410
-0.01533
0.00000
25
-0.15130
-0.16624
0.00000
26
0.15130
0.16624
0.00000
27
0.00950
-0.01568
0.00000
28
-0.00950
0.01568
0.00000
29
-0.01393
-0.01183
0.00000
30
0.01393
0.01183
0.00000
31
0.03977
-0.10707
0.00000
32
-0.03977
0.10707
0.00000
33
-0.00823
-0.00346
0.00000
34
0.00823
0.00346
0.00000