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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.17200
Eigenvectors
#
X
Y
Z
1
-0.00532
0.00000
-0.03403
2
0.00532
0.00000
-0.03403
3
0.00186
0.00000
-0.03969
4
0.01515
0.00000
-0.05446
5
-0.00186
0.00000
-0.03969
6
-0.01515
0.00000
-0.05446
7
0.01606
0.00000
-0.02766
8
0.08535
0.00000
-0.01733
9
-0.01606
0.00000
-0.02766
10
-0.08535
0.00000
-0.01733
11
0.02293
0.00000
0.02055
12
0.09440
0.00000
0.04359
13
-0.02293
0.00000
0.02055
14
-0.09440
0.00000
0.04359
15
0.00727
0.00000
0.03621
16
0.06204
0.00000
0.06064
17
-0.00727
0.00000
0.03621
18
-0.06204
0.00000
0.06064
19
0.00391
0.00000
-0.02747
20
-0.00391
0.00000
-0.02747
21
-0.01109
0.00000
0.02483
22
0.01109
0.00000
0.02483
23
0.00710
0.00000
0.04651
24
0.06174
0.00000
0.10134
25
-0.00710
0.00000
0.04651
26
-0.06174
0.00000
0.10134
27
0.05134
0.00000
0.03728
28
0.12860
0.00000
0.06336
29
-0.05134
0.00000
0.03728
30
-0.12860
0.00000
0.06336
31
0.12361
0.00000
-0.03986
32
-0.12361
0.00000
-0.03986
33
-0.00339
0.00000
-0.03216
34
0.00339
0.00000
-0.03216