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
0.01540
-0.01171
0.00000
2
-0.01540
0.01171
0.00000
3
0.06012
-0.02486
0.00000
4
-0.01780
0.04663
0.00000
5
0.01780
-0.04663
0.00000
6
-0.06012
0.02486
0.00000
7
0.05628
0.02876
0.00000
8
0.03491
0.02978
0.00000
9
-0.03491
-0.02978
0.00000
10
-0.05628
-0.02876
0.00000
11
0.04981
-0.06393
0.00000
12
-0.03042
0.06103
0.00000
13
0.03042
-0.06103
0.00000
14
-0.04981
0.06393
0.00000
15
0.05494
-0.07505
0.00000
16
-0.05494
0.07505
0.00000
17
0.01065
-0.05525
0.00000
18
-0.01065
0.05525
0.00000
19
-0.00332
0.00554
0.00000
20
0.00332
-0.00554
0.00000
21
0.03473
0.04029
0.00000
22
-0.03473
-0.04029
0.00000
23
0.06357
-0.06880
0.00000
24
-0.06357
0.06880
0.00000
25
-0.02217
-0.08561
0.00000
26
0.02217
0.08561
0.00000
27
-0.05232
0.02120
0.00000
28
0.05232
-0.02120
0.00000
29
0.02729
-0.04406
0.00000
30
-0.02729
0.04406
0.00000
31
-0.04429
0.01807
0.00000
32
0.04429
-0.01807
0.00000
33
0.02806
0.07060
0.00000
34
-0.02806
-0.07060
0.00000