Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.16500
Diff mu Y
(Debye)
0.25400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01667
-0.04950
0.00000
2
0.03917
-0.04788
0.00000
3
-0.09521
0.00725
0.00000
4
0.05856
-0.04259
0.00000
5
0.01906
-0.00288
0.00000
6
-0.00021
0.00599
0.00000
7
-0.12640
0.05255
0.00000
8
-0.03855
0.07232
0.00000
9
-0.01237
0.05921
0.00000
10
0.00204
0.06102
0.00000
11
0.01889
0.01272
0.00000
12
0.04850
-0.06464
0.00000
13
0.07563
-0.00273
0.00000
14
-0.00527
0.00121
0.00000
15
0.04899
0.00370
0.00000
16
-0.00481
-0.01981
0.00000
17
0.03869
-0.00166
0.00000
18
-0.01152
-0.01206
0.00000
19
-0.01865
-0.02854
0.00000
20
-0.00763
-0.02564
0.00000
21
-0.15955
0.08944
0.00000
22
0.00188
0.19973
0.00000
23
-0.00572
0.07871
0.00000
24
-0.00836
0.07291
0.00000
25
0.03111
-0.11254
0.00000
26
0.07881
0.01145
0.00000
27
-0.00617
0.00261
0.00000
28
-0.04690
-0.02916
0.00000
29
-0.02180
-0.03059
0.00000
30
-0.03698
0.01416
0.00000
31
0.04465
0.02515
0.00000
32
-0.01688
-0.06053
0.00000