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)
0.18300
Diff mu Y
(Debye)
0.16300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02449
-0.02481
0.00000
2
-0.03425
-0.03114
0.00000
3
-0.01284
0.01833
0.00000
4
-0.01907
-0.00660
0.00000
5
-0.00568
-0.00981
0.00000
6
-0.01150
-0.01007
0.00000
7
0.01757
0.01216
0.00000
8
0.03598
-0.01724
0.00000
9
0.01033
-0.00164
0.00000
10
0.02634
0.01910
0.00000
11
0.01205
0.05272
0.00000
12
-0.00629
-0.00516
0.00000
13
-0.00596
-0.01476
0.00000
14
0.02117
0.02746
0.00000
15
-0.00963
0.01985
0.00000
16
-0.00431
0.00402
0.00000
17
-0.02640
0.06662
0.00000
18
-0.13032
-0.06507
0.00000
19
0.06764
-0.08040
0.00000
20
0.08617
0.01202
0.00000
21
-0.02707
0.06975
0.00000
22
0.02193
-0.06818
0.00000
23
-0.00654
-0.05535
0.00000
24
0.01373
0.03252
0.00000
25
-0.00081
0.01219
0.00000
26
-0.01889
-0.05810
0.00000
27
0.03551
0.01071
0.00000
28
-0.06738
-0.00814
0.00000
29
0.28091
-0.04114
0.00000
30
-0.23890
0.03566
0.00000
31
0.02376
0.28421
0.00000
32
0.14433
0.19555
0.00000