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)
0.00900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02670
2
0.00000
0.00000
-0.00063
3
0.00000
0.00000
0.03543
4
0.00000
0.00000
-0.02710
5
0.00000
0.00000
-0.05209
6
0.00000
0.00000
0.06293
7
0.00000
0.00000
0.05160
8
0.00000
0.00000
-0.07708
9
0.00000
0.00000
-0.08729
10
0.00000
0.00000
0.07796
11
0.00000
0.00000
0.00017
12
0.00000
0.00000
0.07026
13
0.00000
0.00000
0.08782
14
0.00000
0.00000
-0.04829
15
0.00000
0.00000
0.03989
16
0.00000
0.00000
-0.02154
17
0.00000
0.00000
-0.07051
18
0.00000
0.00000
0.06153
19
0.00000
0.00000
0.00483
20
0.00000
0.00000
-0.07261
21
0.00000
0.00000
0.12352
22
0.00000
0.00000
-0.14639
23
0.00000
0.00000
-0.16245
24
0.00000
0.00000
0.14924
25
0.00000
0.00000
0.16390
26
0.00000
0.00000
0.17645
27
0.00000
0.00000
-0.13548
28
0.00000
0.00000
-0.05681
29
0.00000
0.00000
-0.00150
30
0.00000
0.00000
0.13708
31
0.00000
0.00000
-0.17303
32
0.00000
0.00000
-0.17675