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)
0.41700
Diff mu Y
(Debye)
-0.04500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08146
0.03485
0.00000
2
-0.08038
-0.03992
0.00000
3
-0.08914
-0.00585
0.00000
4
0.07492
0.07287
0.00000
5
-0.04857
-0.03527
0.00000
6
0.05504
0.01243
0.00000
7
0.04713
0.02901
0.00000
8
-0.04599
-0.10403
0.00000
9
0.01837
0.03200
0.00000
10
-0.01811
-0.00930
0.00000
11
0.04021
0.00697
0.00000
12
-0.01793
-0.03117
0.00000
13
0.02386
0.03766
0.00000
14
-0.02321
0.01255
0.00000
15
-0.03575
-0.03590
0.00000
16
0.01298
0.00055
0.00000
17
-0.00307
-0.02199
0.00000
18
-0.01573
0.03074
0.00000
19
-0.01819
-0.02956
0.00000
20
0.02863
0.04739
0.00000
21
-0.00693
0.09653
0.00000
22
0.05806
0.21237
0.00000
23
-0.01346
-0.05978
0.00000
24
-0.01591
-0.01289
0.00000
25
0.02889
0.09750
0.00000
26
-0.02264
-0.09995
0.00000
27
0.05062
-0.06740
0.00000
28
-0.00399
-0.00360
0.00000
29
0.05137
-0.01587
0.00000
30
0.05810
-0.04984
0.00000
31
-0.00422
-0.02254
0.00000
32
-0.01964
-0.12256
0.00000