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)
-0.03000
Diff mu Y
(Debye)
-0.12300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02335
-0.03324
0.00000
2
0.01070
-0.03016
0.00000
3
-0.03957
-0.02127
0.00000
4
0.02796
0.01961
0.00000
5
0.00970
-0.00132
0.00000
6
0.00093
-0.03065
0.00000
7
-0.05339
-0.08581
0.00000
8
0.06291
-0.05608
0.00000
9
0.03646
0.02250
0.00000
10
0.03432
0.03345
0.00000
11
0.01218
0.05337
0.00000
12
-0.00634
0.06339
0.00000
13
-0.04227
-0.01777
0.00000
14
-0.03997
-0.03371
0.00000
15
-0.06310
0.01121
0.00000
16
-0.00654
0.08082
0.00000
17
0.09067
0.03959
0.00000
18
0.05405
0.04096
0.00000
19
0.00677
-0.07002
0.00000
20
-0.07410
0.00594
0.00000
21
-0.07914
-0.05651
0.00000
22
0.06664
-0.04335
0.00000
23
0.03377
0.01343
0.00000
24
0.00566
0.06531
0.00000
25
-0.01644
0.03138
0.00000
26
-0.06132
-0.07719
0.00000
27
-0.00226
-0.07440
0.00000
28
0.06495
0.09500
0.00000
29
0.00779
-0.06610
0.00000
30
-0.02740
0.12927
0.00000
31
0.08245
0.00595
0.00000
32
-0.05103
0.08664
0.00000