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)
0.37900
Diff mu Y
(Debye)
-0.14600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
0.00006
0.00000
2
-0.00029
0.00016
0.00000
3
-0.00039
0.00001
0.00000
4
0.00050
-0.00026
0.00000
5
-0.00078
-0.00119
0.00000
6
-0.00162
0.00173
0.00000
7
0.01328
0.01014
0.00000
8
-0.03415
0.01175
0.00000
9
0.03928
-0.01522
0.00000
10
0.01816
0.01844
0.00000
11
0.00037
0.00031
0.00000
12
-0.03576
0.01204
0.00000
13
0.00165
-0.00009
0.00000
14
-0.02670
-0.02243
0.00000
15
0.00009
-0.00021
0.00000
16
0.00445
-0.01063
0.00000
17
-0.00945
0.00238
0.00000
18
-0.00317
-0.00401
0.00000
19
-0.00137
0.00720
0.00000
20
-0.00341
0.00045
0.00000
21
-0.15385
-0.13031
0.00000
22
0.40064
-0.13174
0.00000
23
-0.44535
0.15168
0.00000
24
-0.20684
-0.18647
0.00000
25
0.41558
-0.14297
0.00000
26
-0.01529
0.00596
0.00000
27
0.30010
0.26280
0.00000
28
-0.02569
0.12369
0.00000
29
0.01749
-0.08167
0.00000
30
0.04009
0.03885
0.00000
31
0.10338
-0.02660
0.00000
32
0.03740
-0.01017
0.00000