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)
-0.19300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04958
0.00000
0.00000
2
-0.08385
0.00000
0.00000
3
0.06072
0.00000
0.04168
4
0.06072
0.00000
-0.04168
5
-0.07594
0.00000
0.06492
6
-0.07594
0.00000
-0.06492
7
0.06029
0.00000
0.06550
8
0.06029
0.00000
-0.06550
9
-0.06847
0.00000
0.06590
10
-0.06847
0.00000
-0.06590
11
0.04229
0.00000
-0.02418
12
0.04229
0.00000
0.02418
13
-0.02417
0.00000
0.06868
14
-0.02417
0.00000
-0.06868
15
0.08782
0.00000
0.01836
16
0.08782
0.00000
-0.01836
17
-0.10291
0.00000
-0.00218
18
-0.10291
0.00000
0.00218
19
0.01828
0.00000
-0.04189
20
0.01828
0.00000
0.04189