Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Electronic States
Energy
(eV)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.03500
Eigenvectors
#
X
Y
Z
1
-0.00060
0.00000
-0.00016
2
0.00061
0.00000
-0.00016
3
0.00009
0.00000
-0.00001
4
0.00009
0.00000
0.00004
5
-0.00009
0.00000
-0.00001
6
-0.00009
0.00000
0.00004
7
0.00043
0.00000
0.00000
8
0.00033
0.00000
0.00128
9
-0.00043
0.00000
0.00000
10
-0.00033
0.00000
0.00126
11
-0.00810
0.00000
0.01183
12
0.00716
0.00000
-0.00826
13
0.00815
0.00000
0.01190
14
-0.00712
0.00000
-0.00821
15
0.02707
0.00000
-0.00056
16
-0.04951
0.00000
-0.00059
17
-0.02722
0.00000
-0.00056
18
0.04922
0.00000
-0.00058
19
0.00064
0.00000
-0.00103
20
-0.00065
0.00000
-0.00105
21
-0.00106
0.00000
-0.00078
22
0.00107
0.00000
-0.00078
23
-0.30926
0.00000
0.00471
24
0.56145
0.00000
0.00742
25
0.31105
0.00000
0.00474
26
-0.55819
0.00000
0.00738
27
0.08459
0.00000
-0.14212
28
-0.06872
0.00000
0.11041
29
-0.08510
0.00000
-0.14298
30
0.06831
0.00000
0.10974
31
-0.00656
0.00000
-0.01257
32
0.00649
0.00000
-0.01243
33
-0.00701
0.00000
0.01108
34
0.00718
0.00000
0.01137