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
0.03584
-0.06173
0.00000
2
-0.03584
0.06173
0.00000
3
0.07554
0.02683
0.00000
4
0.05929
0.02922
0.00000
5
-0.05929
-0.02922
0.00000
6
-0.07554
-0.02683
0.00000
7
-0.08600
-0.01699
0.00000
8
0.00995
-0.05066
0.00000
9
-0.00995
0.05066
0.00000
10
0.08600
0.01699
0.00000
11
-0.02306
0.03976
0.00000
12
-0.01234
0.00950
0.00000
13
0.01234
-0.00950
0.00000
14
0.02306
-0.03976
0.00000
15
0.00675
0.00356
0.00000
16
-0.00675
-0.00356
0.00000
17
-0.03974
-0.04026
0.00000
18
0.03974
0.04026
0.00000
19
0.03821
-0.01486
0.00000
20
-0.03821
0.01486
0.00000
21
-0.00692
0.06100
0.00000
22
0.00692
-0.06100
0.00000
23
0.08137
0.06916
0.00000
24
-0.08137
-0.06916
0.00000
25
0.04653
0.03744
0.00000
26
-0.04653
-0.03744
0.00000
27
0.08959
-0.03165
0.00000
28
-0.08959
0.03165
0.00000
29
0.03141
-0.10720
0.00000
30
-0.03141
0.10720
0.00000
31
-0.02323
0.11985
0.00000
32
0.02323
-0.11985
0.00000
33
0.00900
-0.02212
0.00000
34
-0.00900
0.02212
0.00000