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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
-0.38200
Eigenvectors
#
X
Y
Z
1
-0.02833
0.00000
-0.02116
2
0.02833
0.00000
-0.02116
3
-0.02343
0.00000
0.02095
4
-0.03834
0.00000
0.00644
5
0.02343
0.00000
0.02095
6
0.03834
0.00000
0.00644
7
0.02866
0.00000
-0.02140
8
0.05433
0.00000
-0.01374
9
-0.02866
0.00000
-0.02141
10
-0.05433
0.00000
-0.01374
11
0.01772
0.00000
0.04065
12
-0.04571
0.00000
0.00214
13
-0.01772
0.00000
0.04065
14
0.04571
0.00000
0.00214
15
-0.00941
0.00000
-0.06777
16
0.02059
0.00000
-0.03558
17
0.00941
0.00000
-0.06777
18
-0.02059
0.00000
-0.03558
19
-0.11275
0.00000
-0.01093
20
0.11275
0.00000
-0.01092
21
0.02697
0.00000
0.06159
22
-0.02697
0.00000
0.06159
23
-0.00844
0.00000
0.12641
24
0.02288
0.00000
0.08110
25
0.00844
0.00000
0.12640
26
-0.02288
0.00000
0.08110
27
-0.05465
0.00000
0.00339
28
0.04251
0.00000
0.06122
29
0.05466
0.00000
0.00339
30
-0.04251
0.00000
0.06122
31
-0.08795
0.00000
0.06491
32
0.08795
0.00000
0.06492
33
0.09340
0.00000
0.12509
34
-0.09340
0.00000
0.12509