Charge: 0
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
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.19500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08471
2
0.00000
0.00000
-0.10035
3
0.00000
0.00000
-0.06980
4
0.00000
0.00000
0.07074
5
0.00000
0.00000
-0.06374
6
0.00000
0.00000
0.07351
7
0.00000
0.00000
0.03052
8
0.00000
0.00000
0.00821
9
0.00000
0.00000
0.04325
10
0.00000
0.00000
0.01761
11
0.00000
0.00000
0.03646
12
0.00000
0.00000
-0.05227
13
0.00000
0.00000
0.00274
14
0.00000
0.00000
-0.06286
15
0.00000
0.00000
-0.00211
16
0.00000
0.00000
-0.01305
17
0.00000
0.00000
0.00288
18
0.00000
0.00000
-0.00960
19
0.00000
0.00000
-0.00807
20
0.00000
0.00000
-0.01823
21
0.00000
0.00000
-0.04850
22
0.00000
0.00000
-0.21851
23
0.00000
0.00000
-0.14488
24
0.00000
0.00000
-0.31227
25
0.00000
0.00000
0.16951
26
0.00000
0.00000
0.10498
27
0.00000
0.00000
0.22026
28
0.00000
0.00000
0.36958
29
0.00000
0.00000
0.10860
30
0.00000
0.00000
0.05225
31
0.00000
0.00000
-0.03022
32
0.00000
0.00000
0.07968