Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.48811
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Symmetry Elements
S0
Rotational Constants
(cm-1)
0.05036 b
(cm-1)
0.04065 c
(cm-1)
0.02249
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.14723
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)
-0.25100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00564
2
0.00000
0.00000
-0.03015
3
0.02904
0.00000
0.00077
4
-0.02904
0.00000
0.00077
5
0.04284
0.00000
0.06332
6
-0.04284
0.00000
0.06332
7
-0.02699
0.00000
-0.10242
8
0.02699
0.00000
-0.10242
9
-0.04208
0.00000
0.05406
10
0.04208
0.00000
0.05406
11
-0.00037
0.00000
0.00131
12
0.00037
0.00000
0.00131
13
0.29243
0.00000
0.08648
14
-0.29243
0.00000
0.08648
15
0.08988
0.00000
-0.30964
16
-0.08988
0.00000
-0.30964
17
-0.02992
0.00000
0.09293
18
0.02992
0.00000
0.09293
19
0.09770
0.00000
0.07320
20
-0.09770
0.00000
0.07320