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)
1.28300
Eigenvectors
#
X
Y
Z
1
-0.03599
0.00000
0.01828
2
0.03599
0.00000
0.01828
3
0.03625
0.00000
0.00815
4
0.00566
0.00000
-0.02133
5
-0.03625
0.00000
0.00815
6
-0.00566
0.00000
-0.02133
7
-0.02970
0.00000
-0.01589
8
-0.03396
0.00000
0.02564
9
0.02970
0.00000
-0.01589
10
0.03396
0.00000
0.02564
11
0.06291
0.00000
0.03344
12
0.00668
0.00000
-0.04104
13
-0.06291
0.00000
0.03344
14
-0.00669
0.00000
-0.04104
15
-0.03073
0.00000
0.00848
16
0.00115
0.00000
0.08629
17
0.03073
0.00000
0.00847
18
-0.00115
0.00000
0.08629
19
-0.07979
0.00000
-0.00581
20
0.07979
0.00000
-0.00581
21
0.02555
0.00000
-0.06710
22
-0.02555
0.00000
-0.06710
23
-0.03771
0.00000
-0.04537
24
0.00529
0.00000
-0.20296
25
0.03771
0.00000
-0.04537
26
-0.00529
0.00000
-0.20297
27
-0.13841
0.00000
-0.08552
28
0.02727
0.00000
-0.03723
29
0.13840
0.00000
-0.08552
30
-0.02726
0.00000
-0.03723
31
0.11958
0.00000
-0.05720
32
-0.11958
0.00000
-0.05720
33
0.04965
0.00000
0.08171
34
-0.04965
0.00000
0.08171