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
0.08378
2
0.00000
0.00000
-0.08378
3
0.00000
0.00000
0.08201
4
0.00000
0.00000
0.06648
5
0.00000
0.00000
-0.06647
6
0.00000
0.00000
-0.08201
7
0.00000
0.00000
-0.07501
8
0.00000
0.00000
-0.00416
9
0.00000
0.00000
0.00416
10
0.00000
0.00000
0.07501
11
0.00000
0.00000
-0.06496
12
0.00000
0.00000
-0.00546
13
0.00000
0.00000
0.00546
14
0.00000
0.00000
0.06496
15
0.00000
0.00000
-0.00391
16
0.00000
0.00000
0.00391
17
0.00000
0.00000
0.01625
18
0.00000
0.00000
-0.01625
19
0.00000
0.00000
-0.04467
20
0.00000
0.00000
0.04467
21
0.00000
0.00000
0.02198
22
0.00000
0.00000
-0.02198
23
0.00000
0.00000
0.07841
24
0.00000
0.00000
-0.07841
25
0.00000
0.00000
0.21211
26
0.00000
0.00000
-0.21211
27
0.00000
0.00000
0.08313
28
0.00000
0.00000
-0.08313
29
0.00000
0.00000
0.11357
30
0.00000
0.00000
-0.11357
31
0.00000
0.00000
0.02516
32
0.00000
0.00000
-0.02516
33
0.00000
0.00000
0.24003
34
0.00000
0.00000
-0.24003