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)
0.14900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00038
0.00000
-0.00010
2
0.00038
0.00000
0.00010
3
0.00015
0.00000
0.00010
4
0.00008
0.00000
-0.00009
5
0.00015
0.00000
-0.00010
6
0.00008
0.00000
0.00009
7
0.00171
0.00000
0.00070
8
0.00066
0.00000
0.00158
9
0.00171
0.00000
-0.00070
10
0.00066
0.00000
-0.00158
11
-0.02312
0.00000
0.04411
12
0.00467
0.00000
-0.00789
13
-0.02312
0.00000
-0.04411
14
0.00467
0.00000
0.00789
15
-0.03092
0.00000
-0.00141
16
-0.00332
0.00000
0.00003
17
-0.03092
0.00000
0.00141
18
-0.00332
0.00000
-0.00003
19
0.00099
0.00000
-0.00287
20
0.00099
0.00000
0.00287
21
0.00035
0.00000
-0.00120
22
0.00035
0.00000
0.00120
23
0.34298
0.00000
0.00007
24
0.04038
0.00000
-0.00072
25
0.34298
0.00000
-0.00007
26
0.04038
0.00000
0.00072
27
0.28066
0.00000
-0.49270
28
-0.05447
0.00000
0.09100
29
0.28066
0.00000
0.49270
30
-0.05447
0.00000
-0.09100
31
-0.01036
0.00000
-0.01769
32
-0.01036
0.00000
0.01769
33
-0.02324
0.00000
0.02899
34
-0.02324
0.00000
-0.02899