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)
0.58400
Diff mu Y
(Debye)
-0.28100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09849
0.07622
0.00000
2
-0.08992
0.07918
0.00000
3
-0.00828
-0.02954
0.00000
4
-0.01709
0.00376
0.00000
5
-0.03188
-0.01396
0.00000
6
-0.02615
-0.00874
0.00000
7
0.03340
0.01732
0.00000
8
0.03374
0.00768
0.00000
9
0.06268
-0.00705
0.00000
10
0.04873
0.02909
0.00000
11
0.01656
-0.02974
0.00000
12
0.09352
-0.06929
0.00000
13
0.05879
-0.07760
0.00000
14
-0.03878
-0.01685
0.00000
15
0.00207
-0.03030
0.00000
16
-0.01015
0.01295
0.00000
17
-0.02441
0.00940
0.00000
18
0.02899
0.01697
0.00000
19
0.01291
0.00647
0.00000
20
-0.05277
0.02556
0.00000
21
-0.03973
0.10415
0.00000
22
0.02316
-0.01631
0.00000
23
0.04606
-0.05727
0.00000
24
-0.03883
0.13215
0.00000
25
0.07672
-0.11107
0.00000
26
0.04743
-0.10764
0.00000
27
-0.02934
-0.02990
0.00000
28
-0.07514
-0.00435
0.00000
29
0.06724
0.02149
0.00000
30
0.06698
-0.02548
0.00000
31
-0.01928
0.02418
0.00000
32
-0.04721
0.05169
0.00000