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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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
0.00008
-0.00005
0.00000
2
-0.00008
0.00005
0.00000
3
-0.00006
-0.00031
0.00000
4
-0.00014
0.00018
0.00000
5
0.00014
-0.00018
0.00000
6
0.00006
0.00031
0.00000
7
-0.00005
-0.00123
0.00000
8
0.00249
0.00054
0.00000
9
-0.00249
-0.00054
0.00000
10
0.00005
0.00123
0.00000
11
-0.00063
-0.00097
0.00000
12
0.00366
0.00103
0.00000
13
-0.00366
-0.00103
0.00000
14
0.00063
0.00097
0.00000
15
-0.00319
0.00403
0.00000
16
0.00319
-0.00403
0.00000
17
-0.01808
0.01822
0.00000
18
0.01808
-0.01822
0.00000
19
0.01426
0.04520
0.00000
20
-0.01426
-0.04520
0.00000
21
0.02705
0.00364
0.00000
22
-0.02705
-0.00364
0.00000
23
0.03822
-0.04266
0.00000
24
-0.03822
0.04266
0.00000
25
0.18703
-0.21039
0.00000
26
-0.18704
0.21039
0.00000
27
-0.16313
-0.50179
0.00000
28
0.16314
0.50180
0.00000
29
0.04173
0.00918
0.00000
30
-0.04173
-0.00918
0.00000
31
0.02876
0.00524
0.00000
32
-0.02876
-0.00524
0.00000
33
-0.29141
-0.05930
0.00000
34
0.29142
0.05930
0.00000