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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.72100
Diff mu Y
(Debye)
-0.44800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09772
0.06778
0.00000
2
-0.09374
0.06480
0.00000
3
-0.00980
-0.01789
0.00000
4
-0.02730
0.01198
0.00000
5
-0.03513
0.00048
0.00000
6
-0.02445
-0.01109
0.00000
7
0.03381
0.01794
0.00000
8
0.04282
-0.00163
0.00000
9
0.05946
-0.01613
0.00000
10
0.05134
0.03964
0.00000
11
0.00391
-0.01720
0.00000
12
0.11189
-0.05298
0.00000
13
0.05860
-0.08247
0.00000
14
-0.04404
-0.01747
0.00000
15
0.00136
-0.02583
0.00000
16
-0.01636
0.00283
0.00000
17
-0.00848
-0.00276
0.00000
18
0.02874
0.01217
0.00000
19
0.00470
0.02209
0.00000
20
-0.04555
0.01816
0.00000
21
-0.01545
0.08178
0.00000
22
0.02971
-0.05239
0.00000
23
0.03931
-0.09372
0.00000
24
-0.01453
0.12421
0.00000
25
0.11889
-0.05829
0.00000
26
0.05390
-0.11559
0.00000
27
-0.03892
-0.02787
0.00000
28
-0.14030
-0.02510
0.00000
29
0.03976
0.03358
0.00000
30
0.05944
-0.01695
0.00000
31
-0.01077
-0.01274
0.00000
32
-0.05047
0.01515
0.00000