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)
0.22000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00014
0.00000
0.00013
2
-0.00014
0.00000
-0.00013
3
0.00032
0.00000
-0.00079
4
0.00009
0.00000
-0.00010
5
0.00032
0.00000
0.00079
6
0.00009
0.00000
0.00010
7
-0.00102
0.00000
-0.00098
8
0.00020
0.00000
0.00033
9
-0.00102
0.00000
0.00098
10
0.00020
0.00000
-0.00033
11
-0.00496
0.00000
0.00787
12
0.00004
0.00000
-0.00022
13
-0.00496
0.00000
-0.00787
14
0.00004
0.00000
0.00022
15
0.00968
0.00000
-0.00023
16
-0.00004
0.00000
-0.00002
17
0.00968
0.00000
0.00023
18
-0.00004
0.00000
0.00002
19
-0.02690
0.00000
0.04982
20
-0.02690
0.00000
-0.04982
21
-0.00003
0.00000
0.00025
22
-0.00003
0.00000
-0.00025
23
-0.11005
0.00000
0.00131
24
0.00056
0.00000
-0.00001
25
-0.11005
0.00000
-0.00131
26
0.00056
0.00000
0.00001
27
0.05667
0.00000
-0.09266
28
-0.00141
0.00000
0.00228
29
0.05667
0.00000
0.09266
30
-0.00141
0.00000
-0.00228
31
-0.00174
0.00000
-0.00353
32
-0.00174
0.00000
0.00353
33
0.32713
0.00000
-0.56992
34
0.32713
0.00000
0.56992