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)
0.02800
Diff mu Y
(Debye)
-0.01200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00037
-0.00025
0.00000
2
-0.00018
-0.00004
0.00000
3
-0.00204
0.00062
0.00000
4
-0.00052
-0.00061
0.00000
5
0.00004
-0.00003
0.00000
6
0.00002
0.00001
0.00000
7
0.03528
0.02953
0.00000
8
0.01296
-0.00567
0.00000
9
0.00001
0.00003
0.00000
10
-0.00004
-0.00007
0.00000
11
0.00203
0.00205
0.00000
12
0.00045
-0.00019
0.00000
13
-0.00040
0.00019
0.00000
14
-0.00005
0.00001
0.00000
15
0.00060
-0.00042
0.00000
16
0.00003
0.00010
0.00000
17
-0.05998
0.01410
0.00000
18
-0.01361
-0.01610
0.00000
19
-0.00432
0.02333
0.00000
20
-0.00510
0.00058
0.00000
21
-0.39831
-0.32921
0.00000
22
-0.14189
0.04841
0.00000
23
0.00015
0.00000
0.00000
24
0.00057
0.00048
0.00000
25
-0.00504
0.00211
0.00000
26
0.00433
-0.00135
0.00000
27
0.00009
0.00008
0.00000
28
0.00024
-0.00072
0.00000
29
0.06230
-0.26505
0.00000
30
0.16543
0.16084
0.00000
31
0.67851
-0.16335
0.00000
32
0.05288
-0.01355
0.00000