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)
-0.10600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02810
0.00000
-0.02665
2
0.02810
0.00000
0.02665
3
-0.02495
0.00000
0.01006
4
-0.01113
0.00000
0.05805
5
-0.02495
0.00000
-0.01006
6
-0.01113
0.00000
-0.05806
7
-0.03533
0.00000
0.05593
8
-0.03013
0.00000
0.09860
9
-0.03533
0.00000
-0.05593
10
-0.03013
0.00000
-0.09861
11
-0.04164
0.00000
0.04566
12
-0.03127
0.00000
0.03346
13
-0.04164
0.00000
-0.04565
14
-0.03127
0.00000
-0.03347
15
0.04317
0.00000
0.00030
16
0.04990
0.00000
-0.02335
17
0.04317
0.00000
-0.00029
18
0.04990
0.00000
0.02335
19
0.00103
0.00000
0.04012
20
0.00103
0.00000
-0.04012
21
0.06096
0.00000
0.00115
22
0.06096
0.00000
-0.00115
23
0.04282
0.00000
-0.06249
24
0.05117
0.00000
-0.07534
25
0.04282
0.00000
0.06249
26
0.05117
0.00000
0.07533
27
-0.08926
0.00000
0.01851
28
-0.10681
0.00000
-0.01096
29
-0.08926
0.00000
-0.01851
30
-0.10681
0.00000
0.01096
31
-0.05351
0.00000
0.11281
32
-0.05351
0.00000
-0.11282
33
0.05198
0.00000
0.07055
34
0.05198
0.00000
-0.07054