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)
0.03800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00027
0.00000
-0.01016
2
-0.00027
0.00000
0.01016
3
-0.01482
0.00000
0.00664
4
0.02166
0.00000
-0.00809
5
-0.01482
0.00000
-0.00664
6
0.02166
0.00000
0.00809
7
0.00528
0.00000
0.02176
8
-0.00039
0.00000
-0.02327
9
0.00528
0.00000
-0.02176
10
-0.00040
0.00000
0.02327
11
0.05449
0.00000
0.05734
12
-0.00973
0.00000
0.02798
13
0.05449
0.00000
-0.05734
14
-0.00974
0.00000
-0.02799
15
0.10044
0.00000
0.04186
16
-0.04866
0.00000
0.03733
17
0.10043
0.00000
-0.04186
18
-0.04866
0.00000
-0.03734
19
-0.10620
0.00000
0.02643
20
-0.10620
0.00000
-0.02644
21
-0.00367
0.00000
-0.02733
22
-0.00367
0.00000
0.02733
23
0.10250
0.00000
0.08925
24
-0.05036
0.00000
0.04137
25
0.10250
0.00000
-0.08924
26
-0.05036
0.00000
-0.04137
27
0.04827
0.00000
0.05266
28
0.04012
0.00000
0.05933
29
0.04827
0.00000
-0.05265
30
0.04012
0.00000
-0.05934
31
0.01045
0.00000
-0.02887
32
0.01045
0.00000
0.02888
33
-0.12850
0.00000
0.01393
34
-0.12850
0.00000
-0.01393