Charge: 2
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+2
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.66100
Eigenvectors
#
X
Y
Z
1
-0.04785
0.00000
-0.01844
2
0.04785
0.00000
-0.01844
3
0.00371
0.00000
-0.03930
4
0.00756
0.00000
0.03784
5
-0.00371
0.00000
-0.03930
6
-0.00756
0.00000
0.03784
7
-0.02668
0.00000
0.07558
8
-0.03528
0.00000
-0.00870
9
0.02668
0.00000
0.07558
10
0.03528
0.00000
-0.00870
11
0.00997
0.00000
-0.03284
12
0.03801
0.00000
0.01838
13
-0.00997
0.00000
-0.03284
14
-0.03801
0.00000
0.01838
15
-0.02358
0.00000
0.02059
16
0.01977
0.00000
-0.04397
17
0.02358
0.00000
0.02059
18
-0.01977
0.00000
-0.04397
19
-0.04065
0.00000
-0.02377
20
0.04065
0.00000
-0.02377
21
0.11103
0.00000
0.02944
22
-0.11103
0.00000
0.02944
23
-0.02234
0.00000
0.08612
24
0.02199
0.00000
-0.10129
25
0.02234
0.00000
0.08612
26
-0.02199
0.00000
-0.10129
27
0.09566
0.00000
0.01575
28
-0.03505
0.00000
-0.02633
29
-0.09566
0.00000
0.01575
30
0.03505
0.00000
-0.02633
31
0.17219
0.00000
-0.12111
32
-0.17219
0.00000
-0.12111
33
-0.05529
0.00000
-0.02959
34
0.05529
0.00000
-0.02959