Charge: 2
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+2
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
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)
0.19300
Eigenvectors
#
X
Y
Z
1
0.03691
0.00000
-0.03856
2
-0.03691
0.00000
-0.03856
3
0.02038
0.00000
-0.00262
4
-0.03178
0.00000
0.04834
5
-0.02038
0.00000
-0.00261
6
0.03178
0.00000
0.04834
7
0.03017
0.00000
0.02481
8
-0.02625
0.00000
-0.00742
9
-0.03018
0.00000
0.02481
10
0.02625
0.00000
-0.00742
11
-0.01275
0.00000
0.01235
12
0.02280
0.00000
0.01255
13
0.01275
0.00000
0.01235
14
-0.02280
0.00000
0.01255
15
-0.02496
0.00000
0.01115
16
-0.01038
0.00000
-0.00226
17
0.02496
0.00000
0.01115
18
0.01038
0.00000
-0.00226
19
0.00228
0.00000
-0.01420
20
-0.00228
0.00000
-0.01420
21
-0.00459
0.00000
-0.07542
22
0.00459
0.00000
-0.07542
23
-0.02944
0.00000
0.16342
24
-0.01172
0.00000
-0.08055
25
0.02944
0.00000
0.16341
26
0.01172
0.00000
-0.08056
27
-0.05044
0.00000
-0.00448
28
0.41822
0.00000
0.24449
29
0.05044
0.00000
-0.00448
30
-0.41822
0.00000
0.24449
31
-0.15030
0.00000
0.05836
32
0.15030
0.00000
0.05836
33
0.01626
0.00000
-0.00891
34
-0.01625
0.00000
-0.00892