Charge: 2
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+2
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.58300
Diff mu Y
(Debye)
1.32600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00008
-0.00045
0.00000
2
0.00010
-0.00063
0.00000
3
0.00062
-0.00012
0.00000
4
0.00025
0.00105
0.00000
5
-0.00031
0.00001
0.00000
6
-0.00061
0.00065
0.00000
7
-0.01650
-0.01479
0.00000
8
0.00604
-0.00227
0.00000
9
0.00844
-0.00346
0.00000
10
-0.00573
-0.00598
0.00000
11
-0.00008
-0.00005
0.00000
12
0.02820
-0.00780
0.00000
13
0.01110
-0.00331
0.00000
14
-0.02019
-0.01528
0.00000
15
-0.00028
-0.00040
0.00000
16
0.00954
-0.04766
0.00000
17
0.00075
-0.00032
0.00000
18
0.02132
0.01895
0.00000
19
-0.00871
0.03762
0.00000
20
-0.00852
0.00141
0.00000
21
0.19983
0.17192
0.00000
22
-0.07834
0.02564
0.00000
23
-0.10758
0.03768
0.00000
24
0.07400
0.06674
0.00000
25
-0.31390
0.10537
0.00000
26
-0.13905
0.04494
0.00000
27
0.21364
0.18642
0.00000
28
-0.10380
0.53675
0.00000
29
0.09895
-0.42297
0.00000
30
-0.23295
-0.22056
0.00000
31
0.00411
-0.00106
0.00000
32
0.08140
-0.02080
0.00000