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)
0.20100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02598
2
0.00000
0.00000
0.02598
3
0.00000
0.00000
-0.05459
4
0.00000
0.00000
-0.04656
5
0.00000
0.00000
-0.04656
6
0.00000
0.00000
-0.05459
7
0.00000
0.00000
0.05251
8
0.00000
0.00000
0.00162
9
0.00000
0.00000
0.00162
10
0.00000
0.00000
0.05251
11
0.00000
0.00000
0.05004
12
0.00000
0.00000
0.04384
13
0.00000
0.00000
0.04385
14
0.00000
0.00000
0.05004
15
0.00000
0.00000
0.02157
16
0.00000
0.00000
0.02157
17
0.00000
0.00000
-0.05075
18
0.00000
0.00000
-0.05075
19
0.00000
0.00000
-0.01244
20
0.00000
0.00000
-0.01244
21
0.00000
0.00000
-0.04634
22
0.00000
0.00000
-0.04634
23
0.00000
0.00000
-0.29930
24
0.00000
0.00000
-0.29930
25
0.00000
0.00000
0.18949
26
0.00000
0.00000
0.18950
27
0.00000
0.00000
0.32140
28
0.00000
0.00000
0.32140
29
0.00000
0.00000
-0.16867
30
0.00000
0.00000
-0.16866
31
0.00000
0.00000
-0.00538
32
0.00000
0.00000
-0.00538
33
0.00000
0.00000
0.14262
34
0.00000
0.00000
0.14262