Charge: 2
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+2
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)
-0.15700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.11019
2
0.00000
0.00000
0.10968
3
0.00000
0.00000
0.08518
4
0.00000
0.00000
-0.07718
5
0.00000
0.00000
0.08056
6
0.00000
0.00000
-0.05675
7
0.00000
0.00000
-0.02869
8
0.00000
0.00000
0.01241
9
0.00000
0.00000
-0.05790
10
0.00000
0.00000
-0.01791
11
0.00000
0.00000
-0.04806
12
0.00000
0.00000
0.03317
13
0.00000
0.00000
0.00536
14
0.00000
0.00000
0.04172
15
0.00000
0.00000
-0.00100
16
0.00000
0.00000
0.00265
17
0.00000
0.00000
0.00318
18
0.00000
0.00000
0.01063
19
0.00000
0.00000
0.01727
20
0.00000
0.00000
0.01988
21
0.00000
0.00000
-0.04367
22
0.00000
0.00000
0.14538
23
0.00000
0.00000
0.19024
24
0.00000
0.00000
0.32992
25
0.00000
0.00000
-0.05506
26
0.00000
0.00000
-0.16951
27
0.00000
0.00000
-0.13147
28
0.00000
0.00000
-0.20557
29
0.00000
0.00000
-0.14712
30
0.00000
0.00000
-0.10141
31
0.00000
0.00000
0.01636
32
0.00000
0.00000
-0.11412