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)
0.14900
Diff mu Y
(Debye)
1.56000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00008
-0.00020
0.00000
2
0.00008
-0.00020
0.00000
3
-0.00014
-0.00027
0.00000
4
0.00003
0.00021
0.00000
5
0.00003
0.00021
0.00000
6
-0.00014
-0.00027
0.00000
7
-0.00019
0.00050
0.00000
8
-0.00023
-0.00025
0.00000
9
-0.00023
-0.00025
0.00000
10
-0.00019
0.00050
0.00000
11
0.00100
0.00073
0.00000
12
0.01074
0.00152
0.00000
13
0.01074
0.00152
0.00000
14
0.00100
0.00073
0.00000
15
-0.01114
0.01257
0.00000
16
-0.01114
0.01257
0.00000
17
0.01559
-0.01818
0.00000
18
0.01559
-0.01818
0.00000
19
0.01290
0.03904
0.00000
20
0.01290
0.03904
0.00000
21
-0.02108
-0.00502
0.00000
22
-0.02108
-0.00502
0.00000
23
0.12999
-0.14598
0.00000
24
0.12999
-0.14598
0.00000
25
-0.19515
0.21877
0.00000
26
-0.19515
0.21877
0.00000
27
-0.15471
-0.47065
0.00000
28
-0.15471
-0.47065
0.00000
29
-0.13291
-0.02586
0.00000
30
-0.13291
-0.02586
0.00000
31
0.00273
0.00136
0.00000
32
0.00273
0.00136
0.00000
33
0.25988
0.05750
0.00000
34
0.25988
0.05750
0.00000