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)
-0.11600
Diff mu Y
(Debye)
-0.02900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00606
0.08521
0.00000
2
-0.02885
0.07693
0.00000
3
0.02277
0.03385
0.00000
4
-0.08909
0.02353
0.00000
5
-0.00626
0.05162
0.00000
6
0.07247
-0.00343
0.00000
7
0.00570
-0.02588
0.00000
8
-0.06188
-0.03470
0.00000
9
0.08174
-0.03238
0.00000
10
0.10797
-0.02701
0.00000
11
0.01116
0.00951
0.00000
12
-0.08074
0.02414
0.00000
13
-0.04123
0.03714
0.00000
14
0.02191
-0.02334
0.00000
15
-0.00469
-0.00954
0.00000
16
-0.00397
-0.05526
0.00000
17
0.02061
-0.00983
0.00000
18
-0.00163
-0.02293
0.00000
19
-0.00924
-0.04523
0.00000
20
-0.01265
-0.02977
0.00000
21
0.04579
-0.07416
0.00000
22
-0.08163
-0.09172
0.00000
23
0.05816
-0.10697
0.00000
24
0.11210
-0.02962
0.00000
25
-0.05759
0.09322
0.00000
26
-0.03329
0.05880
0.00000
27
-0.02411
0.02960
0.00000
28
0.03478
-0.04649
0.00000
29
-0.01545
-0.04768
0.00000
30
-0.02166
-0.00329
0.00000
31
0.01792
-0.02041
0.00000
32
-0.01183
-0.03088
0.00000