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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.15500
Diff mu Y
(Debye)
0.44900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00023
-0.00031
0.00000
2
-0.00006
-0.00022
0.00000
3
-0.00050
0.00039
0.00000
4
-0.00066
-0.00160
0.00000
5
0.00040
0.00023
0.00000
6
-0.00125
0.00067
0.00000
7
0.01261
0.01112
0.00000
8
0.00024
-0.00021
0.00000
9
0.02172
-0.00852
0.00000
10
-0.00005
-0.00002
0.00000
11
0.00034
0.00107
0.00000
12
-0.03401
0.01156
0.00000
13
0.02990
-0.00984
0.00000
14
-0.02299
-0.02018
0.00000
15
0.00075
-0.00003
0.00000
16
0.00094
0.00169
0.00000
17
-0.03023
0.00787
0.00000
18
0.01981
0.01736
0.00000
19
-0.00325
0.01100
0.00000
20
0.02487
-0.00721
0.00000
21
-0.14483
-0.12408
0.00000
22
0.00623
-0.00002
0.00000
23
-0.25778
0.08563
0.00000
24
0.01262
0.00939
0.00000
25
0.39863
-0.13287
0.00000
26
-0.36089
0.11542
0.00000
27
0.27314
0.24327
0.00000
28
-0.00208
-0.01493
0.00000
29
0.03227
-0.13027
0.00000
30
-0.23460
-0.21615
0.00000
31
0.35412
-0.09958
0.00000
32
-0.29522
0.08779
0.00000