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)
1.70400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07413
0.00000
0.01499
2
-0.07413
0.00000
-0.01499
3
0.01992
0.00000
0.03990
4
-0.00448
0.00000
0.10232
5
0.01992
0.00000
-0.03990
6
-0.00448
0.00000
-0.10232
7
0.00091
0.00000
-0.01415
8
0.06371
0.00000
-0.04604
9
0.00091
0.00000
0.01415
10
0.06371
0.00000
0.04604
11
-0.01666
0.00000
-0.01949
12
-0.06192
0.00000
-0.03600
13
-0.01666
0.00000
0.01949
14
-0.06192
0.00000
0.03600
15
-0.00045
0.00000
0.02412
16
0.00421
0.00000
0.07049
17
-0.00045
0.00000
-0.02412
18
0.00421
0.00000
-0.07049
19
-0.00286
0.00000
-0.00531
20
-0.00286
0.00000
0.00531
21
0.06500
0.00000
0.01928
22
0.06500
0.00000
-0.01928
23
0.00170
0.00000
0.07020
24
0.00824
0.00000
-0.06297
25
0.00170
0.00000
-0.07020
26
0.00824
0.00000
0.06297
27
0.00704
0.00000
-0.00819
28
-0.00447
0.00000
-0.00217
29
0.00704
0.00000
0.00819
30
-0.00447
0.00000
0.00217
31
0.01781
0.00000
-0.02318
32
0.01781
0.00000
0.02318
33
0.05014
0.00000
0.02500
34
0.05014
0.00000
-0.02500