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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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)
0.78000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06550
2
0.00000
0.00000
-0.06550
3
0.00000
0.00000
0.11203
4
0.00000
0.00000
0.04618
5
0.00000
0.00000
0.04617
6
0.00000
0.00000
0.11203
7
0.00000
0.00000
-0.03485
8
0.00000
0.00000
0.01144
9
0.00000
0.00000
0.01144
10
0.00000
0.00000
-0.03485
11
0.00000
0.00000
-0.06180
12
0.00000
0.00000
-0.02455
13
0.00000
0.00000
-0.02455
14
0.00000
0.00000
-0.06180
15
0.00000
0.00000
0.03334
16
0.00000
0.00000
0.03334
17
0.00000
0.00000
-0.01969
18
0.00000
0.00000
-0.01969
19
0.00000
0.00000
-0.02906
20
0.00000
0.00000
-0.02906
21
0.00000
0.00000
-0.01616
22
0.00000
0.00000
-0.01616
23
0.00000
0.00000
0.03823
24
0.00000
0.00000
0.03823
25
0.00000
0.00000
0.23555
26
0.00000
0.00000
0.23555
27
0.00000
0.00000
0.23298
28
0.00000
0.00000
0.23298
29
0.00000
0.00000
-0.10007
30
0.00000
0.00000
-0.10007
31
0.00000
0.00000
-0.04508
32
0.00000
0.00000
-0.04508
33
0.00000
0.00000
0.21740
34
0.00000
0.00000
0.21740