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)
0.21600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00273
2
0.00000
0.00000
-0.00122
3
0.00000
0.00000
-0.01207
4
0.00000
0.00000
-0.02537
5
0.00000
0.00000
0.02940
6
0.00000
0.00000
0.03293
7
0.00000
0.00000
0.05583
8
0.00000
0.00000
-0.03446
9
0.00000
0.00000
-0.02958
10
0.00000
0.00000
-0.00834
11
0.00000
0.00000
0.00058
12
0.00000
0.00000
0.09636
13
0.00000
0.00000
-0.05161
14
0.00000
0.00000
-0.08290
15
0.00000
0.00000
0.01810
16
0.00000
0.00000
-0.01031
17
0.00000
0.00000
0.01672
18
0.00000
0.00000
-0.00345
19
0.00000
0.00000
-0.01604
20
0.00000
0.00000
0.00194
21
0.00000
0.00000
-0.28809
22
0.00000
0.00000
0.18115
23
0.00000
0.00000
0.16253
24
0.00000
0.00000
0.04350
25
0.00000
0.00000
-0.48857
26
0.00000
0.00000
0.23866
27
0.00000
0.00000
0.44402
28
0.00000
0.00000
0.03142
29
0.00000
0.00000
0.10382
30
0.00000
0.00000
0.01643
31
0.00000
0.00000
-0.10764
32
0.00000
0.00000
-0.02507