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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00218
2
0.00000
0.00000
0.00218
3
0.00000
0.00000
-0.00204
4
0.00000
0.00000
-0.02577
5
0.00000
0.00000
0.02577
6
0.00000
0.00000
0.00204
7
0.00000
0.00000
-0.03838
8
0.00000
0.00000
0.05792
9
0.00000
0.00000
-0.05792
10
0.00000
0.00000
0.03838
11
0.00000
0.00000
0.02506
12
0.00000
0.00000
0.02092
13
0.00000
0.00000
-0.02092
14
0.00000
0.00000
-0.02506
15
0.00000
0.00000
-0.00639
16
0.00000
0.00000
0.00639
17
0.00000
0.00000
-0.06359
18
0.00000
0.00000
0.06359
19
0.00000
0.00000
0.00093
20
0.00000
0.00000
-0.00093
21
0.00000
0.00000
0.06862
22
0.00000
0.00000
-0.06863
23
0.00000
0.00000
0.03349
24
0.00000
0.00000
-0.03349
25
0.00000
0.00000
0.33080
26
0.00000
0.00000
-0.33081
27
0.00000
0.00000
-0.01894
28
0.00000
0.00000
0.01893
29
0.00000
0.00000
0.10721
30
0.00000
0.00000
-0.10721
31
0.00000
0.00000
0.27310
32
0.00000
0.00000
-0.27310
33
0.00000
0.00000
-0.34091
34
0.00000
0.00000
0.34092