Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q-1
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06928
-0.01230
0.00000
2
-0.06928
0.01230
0.00000
3
0.00125
-0.00557
0.00000
4
-0.06344
0.06772
0.00000
5
0.06344
-0.06773
0.00000
6
-0.00125
0.00557
0.00000
7
-0.01211
-0.08959
0.00000
8
-0.00093
0.00161
0.00000
9
0.00093
-0.00161
0.00000
10
0.01211
0.08959
0.00000
11
-0.01423
0.01942
0.00000
12
0.03859
0.00370
0.00000
13
-0.03859
-0.00369
0.00000
14
0.01423
-0.01943
0.00000
15
-0.00687
0.00513
0.00000
16
0.00687
-0.00513
0.00000
17
-0.00323
-0.00333
0.00000
18
0.00323
0.00334
0.00000
19
0.01380
0.01145
0.00000
20
-0.01380
-0.01145
0.00000
21
0.01994
0.00720
0.00000
22
-0.01994
-0.00719
0.00000
23
0.03078
0.04233
0.00000
24
-0.03078
-0.04233
0.00000
25
-0.02535
-0.02138
0.00000
26
0.02536
0.02140
0.00000
27
-0.05890
0.03828
0.00000
28
0.05890
-0.03828
0.00000
29
-0.11400
0.33910
0.00000
30
0.11400
-0.33909
0.00000
31
0.02725
-0.09845
0.00000
32
-0.02725
0.09846
0.00000
33
-0.02317
0.23251
0.00000
34
0.02317
-0.23251
0.00000