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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.21100
Diff mu Y
(Debye)
0.59100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00492
0.00770
0.00000
2
-0.02676
-0.00895
0.00000
3
-0.06499
0.10682
0.00000
4
-0.01327
0.02384
0.00000
5
0.03553
-0.10194
0.00000
6
-0.00357
-0.00814
0.00000
7
0.00177
-0.00095
0.00000
8
0.03319
-0.00248
0.00000
9
-0.01525
-0.02459
0.00000
10
0.02006
0.03213
0.00000
11
-0.00196
-0.12878
0.00000
12
0.01440
0.00224
0.00000
13
-0.04184
0.04910
0.00000
14
0.00973
-0.00175
0.00000
15
0.03968
0.05866
0.00000
16
0.00145
-0.00260
0.00000
17
-0.01269
-0.00741
0.00000
18
0.03069
0.01496
0.00000
19
-0.00244
-0.03374
0.00000
20
0.00403
0.03574
0.00000
21
0.17386
-0.19653
0.00000
22
0.00525
-0.09114
0.00000
23
0.01826
0.06086
0.00000
24
-0.03227
0.09300
0.00000
25
-0.03279
-0.14075
0.00000
26
-0.07252
-0.01840
0.00000
27
-0.04664
0.06042
0.00000
28
-0.02885
-0.00918
0.00000
29
-0.07794
-0.05336
0.00000
30
-0.06120
0.11514
0.00000
31
0.05757
0.24628
0.00000
32
-0.05358
-0.18383
0.00000