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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.75700
Diff mu Y
(Debye)
0.91000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03832
0.08085
0.00000
2
-0.03832
0.08085
0.00000
3
-0.01613
0.03129
0.00000
4
0.01096
-0.02387
0.00000
5
0.01096
-0.02387
0.00000
6
-0.01613
0.03129
0.00000
7
-0.00464
-0.02956
0.00000
8
0.02391
-0.05050
0.00000
9
0.02391
-0.05050
0.00000
10
-0.00464
-0.02956
0.00000
11
-0.00299
-0.01811
0.00000
12
0.04909
0.00063
0.00000
13
0.04909
0.00063
0.00000
14
-0.00299
-0.01811
0.00000
15
-0.02744
0.03564
0.00000
16
-0.02744
0.03564
0.00000
17
0.05770
-0.08709
0.00000
18
0.05770
-0.08709
0.00000
19
0.00988
0.06982
0.00000
20
0.00988
0.06982
0.00000
21
-0.05493
0.00473
0.00000
22
-0.05493
0.00473
0.00000
23
-0.04672
0.01925
0.00000
24
-0.04672
0.01925
0.00000
25
-0.01003
-0.14551
0.00000
26
-0.01003
-0.14551
0.00000
27
-0.06096
0.08955
0.00000
28
-0.06096
0.08955
0.00000
29
0.05562
-0.03918
0.00000
30
0.05562
-0.03918
0.00000
31
0.02552
-0.06455
0.00000
32
0.02552
-0.06455
0.00000
33
-0.04768
-0.02434
0.00000
34
-0.04768
-0.02434
0.00000