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)
-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)
-0.13400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06283
0.02865
0.00000
2
0.03636
0.04264
0.00000
3
-0.02693
-0.01796
0.00000
4
0.03082
-0.04474
0.00000
5
-0.10129
0.01293
0.00000
6
0.05570
0.07567
0.00000
7
-0.04229
-0.07680
0.00000
8
0.02251
-0.06994
0.00000
9
-0.09292
-0.01442
0.00000
10
0.02760
0.01013
0.00000
11
0.03436
-0.00240
0.00000
12
0.04187
-0.05681
0.00000
13
-0.03290
0.03409
0.00000
14
0.05000
0.08503
0.00000
15
0.02471
-0.01668
0.00000
16
0.01873
-0.01137
0.00000
17
0.02131
0.02336
0.00000
18
-0.00428
0.02575
0.00000
19
-0.01143
0.00087
0.00000
20
0.01675
-0.02262
0.00000
21
-0.05162
-0.06425
0.00000
22
0.03393
-0.03524
0.00000
23
-0.11600
-0.08094
0.00000
24
0.09197
-0.06399
0.00000
25
0.04232
-0.05683
0.00000
26
-0.01029
0.10902
0.00000
27
0.01922
0.12158
0.00000
28
-0.06056
-0.02714
0.00000
29
-0.03991
-0.00605
0.00000
30
-0.01763
0.04029
0.00000
31
0.02740
0.04276
0.00000
32
0.01137
-0.04333
0.00000