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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.18700
Eigenvectors
#
X
Y
Z
1
-0.00544
0.00000
-0.03273
2
0.00544
0.00000
-0.03273
3
0.00212
0.00001
-0.03803
4
0.01386
0.00000
-0.05105
5
-0.00212
0.00001
-0.03803
6
-0.01386
0.00000
-0.05105
7
0.01626
0.00001
-0.02624
8
0.08807
0.00000
-0.01640
9
-0.01626
0.00000
-0.02624
10
-0.08807
0.00000
-0.01640
11
0.02301
0.00000
0.01700
12
0.09748
0.00000
0.04300
13
-0.02301
0.00000
0.01700
14
-0.09748
0.00000
0.04300
15
0.00779
0.00000
0.03340
16
0.06373
0.00000
0.06036
17
-0.00779
0.00000
0.03341
18
-0.06373
0.00000
0.06036
19
0.00360
0.00000
-0.02589
20
-0.00360
0.00000
-0.02589
21
-0.01143
0.00000
0.02254
22
0.01143
0.00000
0.02254
23
0.00802
-0.00001
0.04461
24
0.06318
0.00000
0.10141
25
-0.00802
-0.00001
0.04461
26
-0.06317
0.00000
0.10142
27
0.04922
0.00000
0.03193
28
0.12829
0.00001
0.06119
29
-0.04922
0.00000
0.03193
30
-0.12829
0.00001
0.06119
31
0.12837
0.00000
-0.04085
32
-0.12837
0.00000
-0.04085
33
-0.00450
-0.00001
-0.03117
34
0.00450
-0.00001
-0.03117