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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.24700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00021
2
0.00000
0.00000
-0.00033
3
0.00000
0.00000
-0.01342
4
0.00000
0.00000
0.01246
5
0.00000
0.00000
0.00521
6
0.00000
0.00000
0.00236
7
0.00000
0.00000
0.03449
8
0.00000
0.00000
-0.04041
9
0.00000
0.00000
0.01338
10
0.00000
0.00000
-0.01735
11
0.00000
0.00000
0.02126
12
0.00000
0.00000
-0.00447
13
0.00000
0.00000
-0.02544
14
0.00000
0.00000
0.00955
15
0.00000
0.00000
0.02628
16
0.00000
0.00000
-0.01196
17
0.00000
0.00000
-0.08016
18
0.00000
0.00000
0.07183
19
0.00000
0.00000
0.04820
20
0.00000
0.00000
-0.08419
21
0.00000
0.00000
-0.14582
22
0.00000
0.00000
0.20377
23
0.00000
0.00000
-0.07506
24
0.00000
0.00000
0.09521
25
0.00000
0.00000
0.01708
26
0.00000
0.00000
0.11508
27
0.00000
0.00000
-0.05449
28
0.00000
0.00000
0.07419
29
0.00000
0.00000
-0.28706
30
0.00000
0.00000
-0.38385
31
0.00000
0.00000
0.38220
32
0.00000
0.00000
0.44596