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)
-844.31798
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.16000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02054
0.00000
-0.00029
2
0.02054
0.00000
0.00029
3
-0.01252
0.00000
-0.00159
4
-0.01007
0.00000
0.00165
5
-0.01252
0.00000
0.00159
6
-0.01007
0.00000
-0.00165
7
0.02891
0.00000
0.01828
8
0.00181
0.00000
-0.00133
9
0.02891
0.00000
-0.01828
10
0.00181
0.00000
0.00133
11
0.05805
0.00000
0.02999
12
0.00619
0.00000
-0.00886
13
0.05805
0.00000
-0.02999
14
0.00619
0.00000
0.00886
15
-0.03642
0.00000
0.01783
16
-0.00105
0.00000
0.01774
17
-0.03642
0.00000
-0.01783
18
-0.00105
0.00000
-0.01774
19
-0.06030
0.00000
-0.07888
20
-0.06030
0.00000
0.07888
21
-0.00069
0.00000
-0.01647
22
-0.00069
0.00000
0.01647
23
-0.04222
0.00000
-0.16618
24
0.00114
0.00000
-0.08848
25
-0.04222
0.00000
0.16618
26
0.00114
0.00000
0.08848
27
-0.23236
0.00000
-0.13729
28
-0.03403
0.00000
-0.03415
29
-0.23236
0.00000
0.13729
30
-0.03403
0.00000
0.03415
31
0.00083
0.00000
-0.00243
32
0.00083
0.00000
0.00243
33
0.37262
0.00000
0.16291
34
0.37262
0.00000
-0.16291