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)
0.08400
Diff mu Y
(Debye)
0.34400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01442
0.03096
0.00000
2
-0.01442
0.03097
0.00000
3
0.00180
-0.01337
0.00000
4
0.00741
0.05334
0.00000
5
0.00742
0.05334
0.00000
6
0.00181
-0.01338
0.00000
7
-0.03747
-0.01577
0.00000
8
0.05289
0.07221
0.00000
9
0.05288
0.07220
0.00000
10
-0.03747
-0.01578
0.00000
11
0.03164
-0.02211
0.00000
12
-0.06677
-0.03615
0.00000
13
-0.06676
-0.03615
0.00000
14
0.03165
-0.02212
0.00000
15
0.02645
-0.06926
0.00000
16
0.02646
-0.06928
0.00000
17
0.03410
0.01254
0.00000
18
0.03410
0.01254
0.00000
19
0.02841
0.03297
0.00000
20
0.02841
0.03298
0.00000
21
-0.07089
-0.04087
0.00000
22
-0.07089
-0.04087
0.00000
23
0.05858
-0.04267
0.00000
24
0.05859
-0.04268
0.00000
25
0.01160
-0.00762
0.00000
26
0.01160
-0.00762
0.00000
27
0.09521
0.01114
0.00000
28
0.09523
0.01115
0.00000
29
-0.06582
-0.04352
0.00000
30
-0.06583
-0.04352
0.00000
31
0.03905
0.14615
0.00000
32
0.03905
0.14617
0.00000
33
-0.05730
-0.11659
0.00000
34
-0.05730
-0.11659
0.00000