Charge: 2
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+2
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)
0.54600
Diff mu Y
(Debye)
0.26900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02465
0.01542
0.00000
2
-0.00093
0.00651
0.00000
3
-0.04163
-0.00433
0.00000
4
-0.00098
0.00770
0.00000
5
0.03911
0.06822
0.00000
6
0.00640
-0.01123
0.00000
7
0.02136
-0.02360
0.00000
8
-0.00500
0.01175
0.00000
9
-0.02440
0.00938
0.00000
10
-0.01205
-0.01957
0.00000
11
-0.11587
-0.04878
0.00000
12
0.00770
0.00318
0.00000
13
0.06823
0.00242
0.00000
14
0.00683
-0.00292
0.00000
15
-0.07831
-0.08001
0.00000
16
-0.00480
0.00212
0.00000
17
0.06712
0.04373
0.00000
18
0.01565
-0.01655
0.00000
19
-0.00590
0.02760
0.00000
20
0.00474
-0.01521
0.00000
21
0.09513
-0.11094
0.00000
22
0.01238
0.06970
0.00000
23
-0.11489
-0.24016
0.00000
24
-0.04992
0.01945
0.00000
25
-0.01186
-0.05474
0.00000
26
0.12736
0.16121
0.00000
27
-0.05014
0.06501
0.00000
28
-0.00277
0.00304
0.00000
29
0.15675
0.06722
0.00000
30
0.02316
-0.02433
0.00000
31
0.16316
0.39167
0.00000
32
-0.01404
-0.05937
0.00000