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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
0.00013
0.00000
2
-0.00006
-0.00013
0.00000
3
-0.00021
0.00031
0.00000
4
0.00079
-0.00085
0.00000
5
-0.00079
0.00085
0.00000
6
0.00021
-0.00031
0.00000
7
0.00017
0.00037
0.00000
8
-0.01647
-0.00270
0.00000
9
0.01647
0.00270
0.00000
10
-0.00017
-0.00037
0.00000
11
-0.00103
-0.00085
0.00000
12
-0.03958
-0.00884
0.00000
13
0.03958
0.00884
0.00000
14
0.00103
0.00085
0.00000
15
-0.00017
-0.00179
0.00000
16
0.00017
0.00179
0.00000
17
-0.02007
0.02347
0.00000
18
0.02007
-0.02347
0.00000
19
-0.00121
-0.00812
0.00000
20
0.00121
0.00812
0.00000
21
-0.02211
-0.00336
0.00000
22
0.02211
0.00336
0.00000
23
0.00374
-0.00285
0.00000
24
-0.00374
0.00285
0.00000
25
0.23312
-0.27606
0.00000
26
-0.23312
0.27606
0.00000
27
0.02815
0.08671
0.00000
28
-0.02815
-0.08671
0.00000
29
-0.45437
-0.08257
0.00000
30
0.45437
0.08257
0.00000
31
-0.19319
-0.03130
0.00000
32
0.19319
0.03130
0.00000
33
0.25009
0.04499
0.00000
34
-0.25009
-0.04499
0.00000