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)
-768.18063
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.02600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02448
2
0.00000
0.00000
-0.02418
3
0.00000
0.00000
-0.06419
4
0.00000
0.00000
-0.00845
5
0.00000
0.00000
0.01090
6
0.00000
0.00000
0.05790
7
0.00000
0.00000
0.05969
8
0.00000
0.00000
0.05271
9
0.00000
0.00000
-0.05599
10
0.00000
0.00000
-0.05970
11
0.00000
0.00000
0.03668
12
0.00000
0.00000
-0.03347
13
0.00000
0.00000
0.03285
14
0.00000
0.00000
-0.00100
15
0.00000
0.00000
-0.03135
16
0.00000
0.00000
-0.00232
17
0.00000
0.00000
0.00938
18
0.00000
0.00000
0.01742
19
0.00000
0.00000
-0.01231
20
0.00000
0.00000
-0.00958
21
0.00000
0.00000
-0.32584
22
0.00000
0.00000
-0.38179
23
0.00000
0.00000
0.41964
24
0.00000
0.00000
0.33254
25
0.00000
0.00000
0.19225
26
0.00000
0.00000
-0.17491
27
0.00000
0.00000
-0.09732
28
0.00000
0.00000
0.09592
29
0.00000
0.00000
0.02112
30
0.00000
0.00000
-0.06102
31
0.00000
0.00000
-0.15037
32
0.00000
0.00000
0.13595