Charge: 2
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+2
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)
-0.72800
Diff mu Y
(Debye)
0.45100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04073
-0.00813
0.00000
2
-0.04073
-0.00813
0.00000
3
0.01364
0.00286
0.00000
4
0.06555
-0.03620
0.00000
5
0.06555
-0.03620
0.00000
6
0.01364
0.00286
0.00000
7
0.01274
0.02190
0.00000
8
-0.01882
0.04182
0.00000
9
-0.01882
0.04182
0.00000
10
0.01274
0.02190
0.00000
11
-0.01738
0.00091
0.00000
12
-0.04170
-0.00852
0.00000
13
-0.04170
-0.00852
0.00000
14
-0.01738
0.00091
0.00000
15
0.05379
0.04836
0.00000
16
0.05378
0.04836
0.00000
17
-0.05656
-0.03957
0.00000
18
-0.05656
-0.03957
0.00000
19
0.03820
0.04139
0.00000
20
0.03820
0.04139
0.00000
21
0.00368
-0.07405
0.00000
22
0.00368
-0.07405
0.00000
23
-0.13151
-0.11434
0.00000
24
-0.13151
-0.11434
0.00000
25
0.10875
0.11204
0.00000
26
0.10875
0.11204
0.00000
27
-0.04289
0.07804
0.00000
28
-0.04288
0.07804
0.00000
29
-0.04714
-0.01834
0.00000
30
-0.04714
-0.01834
0.00000
31
0.01924
-0.14174
0.00000
32
0.01924
-0.14173
0.00000
33
-0.05424
0.19434
0.00000
34
-0.05424
0.19434
0.00000