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)
-844.57197
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00097
2
0.00000
0.00000
-0.00097
3
0.00000
0.00000
0.00317
4
0.00000
0.00000
0.01360
5
0.00000
0.00000
-0.01360
6
0.00000
0.00000
-0.00317
7
0.00000
0.00000
0.00401
8
0.00000
0.00000
-0.01446
9
0.00000
0.00000
0.01446
10
0.00000
0.00000
-0.00401
11
0.00000
0.00000
0.00874
12
0.00000
0.00000
-0.05236
13
0.00000
0.00000
0.05236
14
0.00000
0.00000
-0.00874
15
0.00000
0.00000
-0.05148
16
0.00000
0.00000
0.05148
17
0.00000
0.00000
-0.03163
18
0.00000
0.00000
0.03163
19
0.00000
0.00000
0.05684
20
0.00000
0.00000
-0.05684
21
0.00000
0.00000
-0.02896
22
0.00000
0.00000
0.02896
23
0.00000
0.00000
0.29833
24
0.00000
0.00000
-0.29833
25
0.00000
0.00000
0.16969
26
0.00000
0.00000
-0.16969
27
0.00000
0.00000
-0.35346
28
0.00000
0.00000
0.35346
29
0.00000
0.00000
-0.30451
30
0.00000
0.00000
0.30451
31
0.00000
0.00000
-0.05353
32
0.00000
0.00000
0.05353
33
0.00000
0.00000
0.16527
34
0.00000
0.00000
-0.16527