Charge: -1
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-1
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
-0.00662
0.06093
0.00000
2
0.00662
-0.06093
0.00000
3
0.01273
-0.08904
0.00000
4
-0.02293
-0.02447
0.00000
5
0.02293
0.02447
0.00000
6
-0.01273
0.08904
0.00000
7
0.02988
-0.03190
0.00000
8
-0.01201
0.05920
0.00000
9
0.01201
-0.05920
0.00000
10
-0.02988
0.03190
0.00000
11
-0.05148
0.08762
0.00000
12
0.02311
0.02623
0.00000
13
-0.02311
-0.02623
0.00000
14
0.05148
-0.08762
0.00000
15
0.04361
0.01966
0.00000
16
-0.04361
-0.01966
0.00000
17
-0.02131
-0.03853
0.00000
18
0.02131
0.03853
0.00000
19
0.04074
-0.01729
0.00000
20
-0.04074
0.01729
0.00000
21
-0.02436
0.04649
0.00000
22
0.02436
-0.04649
0.00000
23
0.01139
-0.00298
0.00000
24
-0.01139
0.00298
0.00000
25
-0.05171
-0.06575
0.00000
26
0.05171
0.06575
0.00000
27
-0.01429
-0.00095
0.00000
28
0.01429
0.00095
0.00000
29
-0.03559
0.02841
0.00000
30
0.03559
-0.02841
0.00000
31
-0.01937
0.09814
0.00000
32
0.01937
-0.09814
0.00000
33
0.00822
-0.10960
0.00000
34
-0.00822
0.10960
0.00000