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)
0.55100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01401
2
0.00000
0.00000
0.07726
3
0.00000
0.00000
-0.03108
4
0.00000
0.00000
-0.01672
5
0.00000
0.00000
0.01288
6
0.00000
0.00000
-0.05193
7
0.00000
0.00000
-0.03349
8
0.00000
0.00000
-0.01033
9
0.00000
0.00000
-0.01677
10
0.00000
0.00000
0.01796
11
0.00000
0.00000
0.14474
12
0.00000
0.00000
0.00104
13
0.00000
0.00000
0.01021
14
0.00000
0.00000
-0.00154
15
0.00000
0.00000
-0.13599
16
0.00000
0.00000
-0.02452
17
0.00000
0.00000
-0.02938
18
0.00000
0.00000
0.05058
19
0.00000
0.00000
-0.05557
20
0.00000
0.00000
0.03723
21
0.00000
0.00000
0.18854
22
0.00000
0.00000
0.13900
23
0.00000
0.00000
-0.04855
24
0.00000
0.00000
0.04606
25
0.00000
0.00000
0.09960
26
0.00000
0.00000
0.15681
27
0.00000
0.00000
0.16496
28
0.00000
0.00000
0.09937
29
0.00000
0.00000
-0.03616
30
0.00000
0.00000
0.05513
31
0.00000
0.00000
-0.28358
32
0.00000
0.00000
0.24559