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)
0.82300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05432
2
0.00000
0.00000
-0.05432
3
0.00000
0.00000
-0.06185
4
0.00000
0.00000
0.11494
5
0.00000
0.00000
0.11494
6
0.00000
0.00000
-0.06185
7
0.00000
0.00000
0.09015
8
0.00000
0.00000
-0.02606
9
0.00000
0.00000
-0.02606
10
0.00000
0.00000
0.09015
11
0.00000
0.00000
-0.01295
12
0.00000
0.00000
-0.03185
13
0.00000
0.00000
-0.03185
14
0.00000
0.00000
-0.01295
15
0.00000
0.00000
0.03503
16
0.00000
0.00000
0.03503
17
0.00000
0.00000
-0.00859
18
0.00000
0.00000
-0.00859
19
0.00000
0.00000
0.01954
20
0.00000
0.00000
0.01954
21
0.00000
0.00000
-0.01338
22
0.00000
0.00000
-0.01338
23
0.00000
0.00000
0.02451
24
0.00000
0.00000
0.02451
25
0.00000
0.00000
-0.04944
26
0.00000
0.00000
-0.04944
27
0.00000
0.00000
-0.02104
28
0.00000
0.00000
-0.02103
29
0.00000
0.00000
-0.17463
30
0.00000
0.00000
-0.17463
31
0.00000
0.00000
-0.26151
32
0.00000
0.00000
-0.26151
33
0.00000
0.00000
-0.12107
34
0.00000
0.00000
-0.12106