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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.09000
Diff mu Y
(Debye)
0.05100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00058
0.00008
0.00000
2
0.00012
0.00010
0.00000
3
0.00168
-0.00091
0.00000
4
0.00052
0.00070
0.00000
5
-0.00001
-0.00005
0.00000
6
-0.00005
-0.00005
0.00000
7
-0.04905
-0.04046
0.00000
8
-0.01042
0.00543
0.00000
9
-0.00004
0.00005
0.00000
10
0.00007
0.00002
0.00000
11
0.00079
0.00143
0.00000
12
-0.00016
0.00007
0.00000
13
-0.00019
0.00003
0.00000
14
0.00003
0.00000
0.00000
15
0.00051
0.00038
0.00000
16
0.00001
-0.00022
0.00000
17
-0.04818
0.01124
0.00000
18
-0.00987
-0.01039
0.00000
19
0.00333
-0.01155
0.00000
20
0.00337
-0.00034
0.00000
21
0.56037
0.46574
0.00000
22
0.11243
-0.03918
0.00000
23
0.00045
-0.00019
0.00000
24
-0.00054
-0.00048
0.00000
25
0.00167
-0.00089
0.00000
26
0.00147
-0.00060
0.00000
27
-0.00005
-0.00007
0.00000
28
-0.00050
0.00215
0.00000
29
-0.03068
0.12475
0.00000
30
0.10917
0.10489
0.00000
31
0.55221
-0.13524
0.00000
32
-0.03262
0.00846
0.00000