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)
-0.24400
Diff mu Y
(Debye)
-0.13900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08667
0.09253
0.00000
2
0.04585
-0.10178
0.00000
3
0.05571
-0.02380
0.00000
4
-0.02153
0.06753
0.00000
5
0.06143
-0.02692
0.00000
6
0.02417
-0.00608
0.00000
7
-0.00095
-0.03591
0.00000
8
-0.01049
0.02263
0.00000
9
-0.00794
-0.06221
0.00000
10
-0.02735
0.06105
0.00000
11
-0.03244
0.00747
0.00000
12
-0.02184
-0.06122
0.00000
13
0.00543
0.01726
0.00000
14
-0.05783
0.05664
0.00000
15
-0.01328
-0.01201
0.00000
16
0.04349
-0.00716
0.00000
17
0.00371
0.02681
0.00000
18
0.02687
-0.03711
0.00000
19
-0.02742
-0.00896
0.00000
20
0.02581
0.03524
0.00000
21
-0.07628
0.04522
0.00000
22
-0.00189
0.06816
0.00000
23
0.01922
0.00776
0.00000
24
0.07902
-0.05294
0.00000
25
0.03417
0.10077
0.00000
26
0.01423
0.04183
0.00000
27
0.15838
-0.18811
0.00000
28
0.05578
-0.00655
0.00000
29
-0.02916
-0.00955
0.00000
30
-0.05479
0.04987
0.00000
31
0.00664
0.03483
0.00000
32
-0.02411
-0.13874
0.00000