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)
0.03300
Diff mu Y
(Debye)
0.16300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01088
0.02601
0.00000
2
-0.00019
0.01741
0.00000
3
0.01999
0.03686
0.00000
4
0.00318
-0.00923
0.00000
5
-0.01137
-0.01295
0.00000
6
-0.01316
0.01003
0.00000
7
0.02820
0.00881
0.00000
8
0.00718
-0.00114
0.00000
9
-0.03767
-0.04560
0.00000
10
-0.04506
-0.05958
0.00000
11
0.03756
0.04063
0.00000
12
0.00913
-0.01964
0.00000
13
0.05597
0.02120
0.00000
14
0.00846
0.01861
0.00000
15
0.00427
0.08430
0.00000
16
-0.00141
-0.00989
0.00000
17
0.10511
-0.05039
0.00000
18
-0.02902
-0.09491
0.00000
19
-0.02920
-0.03127
0.00000
20
-0.12836
0.08125
0.00000
21
0.05181
-0.01745
0.00000
22
0.00629
-0.00805
0.00000
23
-0.03772
-0.04302
0.00000
24
-0.01761
-0.09183
0.00000
25
0.00884
-0.02295
0.00000
26
0.05698
0.02951
0.00000
27
0.00420
0.02151
0.00000
28
-0.03222
-0.01689
0.00000
29
0.12233
0.00660
0.00000
30
-0.08039
-0.03644
0.00000
31
0.10970
-0.02714
0.00000
32
-0.12676
0.08106
0.00000