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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 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)
-0.14300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00019
2
0.00000
0.00000
-0.00329
3
0.00000
0.00000
0.00167
4
0.00000
0.00000
-0.01176
5
0.00000
0.00000
-0.01439
6
0.00000
0.00000
0.00738
7
0.00000
0.00000
-0.02115
8
0.00000
0.00000
0.02939
9
0.00000
0.00000
0.07934
10
0.00000
0.00000
-0.07391
11
0.00000
0.00000
-0.00033
12
0.00000
0.00000
0.05251
13
0.00000
0.00000
0.01411
14
0.00000
0.00000
0.02745
15
0.00000
0.00000
-0.00344
16
0.00000
0.00000
-0.07027
17
0.00000
0.00000
0.00258
18
0.00000
0.00000
-0.00747
19
0.00000
0.00000
0.01065
20
0.00000
0.00000
-0.00488
21
0.00000
0.00000
0.11384
22
0.00000
0.00000
-0.15493
23
0.00000
0.00000
-0.46431
24
0.00000
0.00000
0.44244
25
0.00000
0.00000
-0.28513
26
0.00000
0.00000
-0.06322
27
0.00000
0.00000
-0.16169
28
0.00000
0.00000
0.40013
29
0.00000
0.00000
-0.06044
30
0.00000
0.00000
0.04008
31
0.00000
0.00000
-0.01007
32
0.00000
0.00000
0.03182