Charge: 0
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
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.42500
Diff mu Y
(Debye)
-0.08900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00284
-0.00965
0.00000
2
0.00284
-0.00965
0.00000
3
-0.05667
0.02204
0.00000
4
0.00482
0.00325
0.00000
5
0.00481
0.00325
0.00000
6
-0.05668
0.02204
0.00000
7
0.00046
0.05983
0.00000
8
0.01654
-0.00797
0.00000
9
0.01655
-0.00797
0.00000
10
0.00046
0.05983
0.00000
11
-0.03440
-0.03989
0.00000
12
0.00450
-0.00577
0.00000
13
0.00450
-0.00577
0.00000
14
-0.03440
-0.03989
0.00000
15
0.01929
0.00202
0.00000
16
0.01930
0.00202
0.00000
17
-0.01123
0.00251
0.00000
18
-0.01123
0.00251
0.00000
19
0.02601
-0.00966
0.00000
20
0.02601
-0.00966
0.00000
21
-0.01653
0.00218
0.00000
22
-0.01653
0.00218
0.00000
23
0.18791
0.14668
0.00000
24
0.18792
0.14669
0.00000
25
-0.11068
-0.08186
0.00000
26
-0.11070
-0.08187
0.00000
27
0.41532
-0.13675
0.00000
28
0.41536
-0.13677
0.00000
29
0.02462
-0.09297
0.00000
30
0.02462
-0.09298
0.00000
31
0.06208
-0.21322
0.00000
32
0.06207
-0.21322
0.00000
33
-0.05097
0.15322
0.00000
34
-0.05098
0.15325
0.00000