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)
0.27100
Diff mu Y
(Debye)
-0.42400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02093
-0.01735
0.00000
2
-0.02384
-0.03660
0.00000
3
-0.02865
0.04988
0.00000
4
-0.00626
-0.00922
0.00000
5
-0.02015
-0.00213
0.00000
6
-0.01584
-0.01894
0.00000
7
0.02566
0.01435
0.00000
8
0.03681
-0.01081
0.00000
9
0.02303
-0.00048
0.00000
10
0.02093
0.01709
0.00000
11
-0.05281
0.05266
0.00000
12
-0.03052
-0.00518
0.00000
13
0.00817
-0.01032
0.00000
14
0.03892
0.03528
0.00000
15
0.01272
-0.01853
0.00000
16
-0.00251
0.01055
0.00000
17
0.05846
-0.06350
0.00000
18
0.08064
0.00906
0.00000
19
-0.07153
0.10734
0.00000
20
-0.02559
-0.04329
0.00000
21
0.08111
-0.04960
0.00000
22
0.02651
-0.04735
0.00000
23
0.00208
-0.06540
0.00000
24
-0.03576
0.08044
0.00000
25
-0.04286
-0.03548
0.00000
26
0.02737
0.05425
0.00000
27
0.06846
0.00166
0.00000
28
-0.05453
0.00314
0.00000
29
-0.20912
0.07986
0.00000
30
0.18512
-0.09364
0.00000
31
-0.01620
-0.32202
0.00000
32
-0.11202
-0.31852
0.00000