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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
1.18200
Diff mu Y
(Debye)
0.19600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.11526
-0.02521
0.00000
2
-0.11526
-0.02521
0.00000
3
-0.06023
-0.03620
0.00000
4
-0.01478
0.00845
0.00000
5
-0.01478
0.00845
0.00000
6
-0.06023
-0.03620
0.00000
7
0.00540
0.00135
0.00000
8
0.08333
0.03832
0.00000
9
0.08333
0.03832
0.00000
10
0.00540
0.00135
0.00000
11
-0.02618
0.01286
0.00000
12
0.07701
-0.00913
0.00000
13
0.07701
-0.00913
0.00000
14
-0.02618
0.01286
0.00000
15
0.01086
-0.01182
0.00000
16
0.01086
-0.01182
0.00000
17
0.00115
-0.00037
0.00000
18
0.00115
-0.00037
0.00000
19
-0.00365
-0.01821
0.00000
20
-0.00365
-0.01821
0.00000
21
0.03505
0.02519
0.00000
22
0.03505
0.02519
0.00000
23
-0.08225
-0.09491
0.00000
24
-0.08225
-0.09491
0.00000
25
0.04331
0.03557
0.00000
26
0.04331
0.03557
0.00000
27
-0.03771
-0.00621
0.00000
28
-0.03771
-0.00621
0.00000
29
0.07392
0.01802
0.00000
30
0.07392
0.01802
0.00000
31
0.07060
0.11392
0.00000
32
0.07060
0.11392
0.00000
33
0.01892
0.10949
0.00000
34
0.01892
0.10949
0.00000