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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.09500
Diff mu Y
(Debye)
0.20900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
-0.00025
0.00000
2
-0.00006
0.00010
0.00000
3
-0.00029
0.00010
0.00000
4
0.00055
0.00264
0.00000
5
0.00029
0.00027
0.00000
6
-0.00132
0.00169
0.00000
7
0.00773
0.00489
0.00000
8
-0.02551
0.00806
0.00000
9
-0.02158
0.00626
0.00000
10
0.02190
0.01860
0.00000
11
0.00011
0.00006
0.00000
12
0.04512
-0.01627
0.00000
13
-0.00588
0.00162
0.00000
14
-0.02707
-0.02483
0.00000
15
0.00012
0.00032
0.00000
16
-0.00613
0.02865
0.00000
17
-0.00244
0.00056
0.00000
18
0.00276
0.00249
0.00000
19
-0.00081
0.00172
0.00000
20
0.00614
-0.00168
0.00000
21
-0.08475
-0.07015
0.00000
22
0.29124
-0.09677
0.00000
23
0.25252
-0.08335
0.00000
24
-0.24838
-0.22046
0.00000
25
-0.52289
0.17857
0.00000
26
0.06665
-0.02192
0.00000
27
0.31918
0.28032
0.00000
28
0.06901
-0.34729
0.00000
29
0.00562
-0.02052
0.00000
30
-0.03021
-0.02825
0.00000
31
0.02842
-0.00681
0.00000
32
-0.07131
0.01993
0.00000