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
-0.00504
-0.01870
0.00000
2
0.00504
0.01870
0.00000
3
-0.02532
0.00264
0.00000
4
-0.01423
0.04438
0.00000
5
0.01423
-0.04438
0.00000
6
0.02532
-0.00264
0.00000
7
0.01113
0.02554
0.00000
8
0.05155
0.05336
0.00000
9
-0.05155
-0.05336
0.00000
10
-0.01113
-0.02554
0.00000
11
-0.04009
0.01060
0.00000
12
-0.10771
-0.03611
0.00000
13
0.10771
0.03611
0.00000
14
0.04009
-0.01060
0.00000
15
-0.03071
0.08061
0.00000
16
0.03071
-0.08061
0.00000
17
-0.01169
-0.04179
0.00000
18
0.01169
0.04179
0.00000
19
-0.01943
-0.05942
0.00000
20
0.01943
0.05942
0.00000
21
0.03536
0.00886
0.00000
22
-0.03536
-0.00886
0.00000
23
-0.07251
0.04236
0.00000
24
0.07251
-0.04236
0.00000
25
0.02375
-0.01022
0.00000
26
-0.02375
0.01022
0.00000
27
-0.07241
-0.04167
0.00000
28
0.07241
0.04167
0.00000
29
0.11199
0.00841
0.00000
30
-0.11199
-0.00841
0.00000
31
-0.04882
-0.06475
0.00000
32
0.04882
0.06475
0.00000
33
0.02895
0.03216
0.00000
34
-0.02895
-0.03216
0.00000