Charge: -1
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/q-1
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)
-0.14200
Eigenvectors
#
X
Y
Z
1
0.05369
0.00000
0.01076
2
-0.05369
0.00000
0.01076
3
-0.00286
0.00000
0.02992
4
-0.01056
0.00000
-0.02124
5
0.00286
0.00000
0.02992
6
0.01056
0.00000
-0.02124
7
-0.07355
0.00000
-0.00797
8
0.01511
0.00000
-0.01320
9
0.07355
0.00000
-0.00797
10
-0.01511
0.00000
-0.01321
11
-0.09182
0.00000
-0.01100
12
0.00802
0.00000
0.03128
13
0.09182
0.00000
-0.01100
14
-0.00802
0.00000
0.03127
15
-0.02099
0.00000
-0.03938
16
-0.05460
0.00000
0.05772
17
0.02099
0.00000
-0.03938
18
0.05460
0.00000
0.05772
19
-0.00670
0.00000
-0.05389
20
0.00669
0.00000
-0.05389
21
0.07119
0.00000
0.02078
22
-0.07119
0.00000
0.02078
23
-0.02148
0.00000
-0.13931
24
-0.05643
0.00001
0.10877
25
0.02148
0.00000
-0.13931
26
0.05643
0.00001
0.10876
27
-0.11614
0.00000
-0.02502
28
0.05342
0.00000
0.05949
29
0.11614
0.00000
-0.02503
30
-0.05342
0.00000
0.05949
31
0.03288
0.00000
-0.02293
32
-0.03288
0.00000
-0.02293
33
0.04010
0.00000
-0.02604
34
-0.04010
0.00000
-0.02604