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
0.00001
0.00020
0.00000
2
-0.00001
-0.00020
0.00000
3
0.00023
0.00010
0.00000
4
-0.00010
0.00117
0.00000
5
0.00010
-0.00117
0.00000
6
-0.00023
-0.00010
0.00000
7
0.00044
-0.00122
0.00000
8
-0.00829
-0.00175
0.00000
9
0.00829
0.00175
0.00000
10
-0.00044
0.00122
0.00000
11
-0.00104
-0.00095
0.00000
12
0.01226
0.00212
0.00000
13
-0.01226
-0.00212
0.00000
14
0.00104
0.00095
0.00000
15
0.00941
-0.01019
0.00000
16
-0.00941
0.01019
0.00000
17
-0.01586
0.01877
0.00000
18
0.01586
-0.01877
0.00000
19
-0.01260
-0.03817
0.00000
20
0.01260
0.03817
0.00000
21
0.02194
0.00514
0.00000
22
-0.02194
-0.00514
0.00000
23
-0.10994
0.12374
0.00000
24
0.10994
-0.12374
0.00000
25
0.19753
-0.22153
0.00000
26
-0.19753
0.22153
0.00000
27
0.15197
0.46191
0.00000
28
-0.15197
-0.46191
0.00000
29
0.14727
0.02961
0.00000
30
-0.14727
-0.02961
0.00000
31
-0.09383
-0.01986
0.00000
32
0.09383
0.01986
0.00000
33
-0.26727
-0.05880
0.00000
34
0.26727
0.05880
0.00000