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)
3.03600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02644
0.00000
-0.02122
2
-0.02644
0.00000
0.02122
3
-0.00733
0.00000
0.04689
4
0.01690
0.00000
-0.02914
5
-0.00733
0.00000
-0.04689
6
0.01690
0.00000
0.02914
7
0.05077
0.00000
-0.02313
8
-0.04057
0.00000
0.00835
9
0.05077
0.00000
0.02313
10
-0.04057
0.00000
-0.00835
11
-0.07669
0.00000
-0.05908
12
0.03279
0.00000
0.02400
13
-0.07669
0.00000
0.05907
14
0.03279
0.00000
-0.02400
15
0.01949
0.00000
0.08760
16
-0.01135
0.00000
-0.04853
17
0.01949
0.00000
-0.08760
18
-0.01135
0.00000
0.04853
19
0.00153
0.00000
0.01150
20
0.00153
0.00000
-0.01150
21
0.02764
0.00000
-0.05533
22
0.02764
0.00000
0.05533
23
0.02128
0.00000
-0.13578
24
-0.01556
0.00000
0.17975
25
0.02128
0.00000
0.13578
26
-0.01557
0.00000
-0.17975
27
0.13848
0.00000
0.06385
28
-0.04243
0.00000
-0.02065
29
0.13848
0.00000
-0.06385
30
-0.04243
0.00000
0.02065
31
0.04304
0.00000
-0.03833
32
0.04304
0.00000
0.03833
33
0.01302
0.00000
0.01776
34
0.01302
0.00000
-0.01776