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)
0.93500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00127
2
0.00000
0.00000
-0.00030
3
-0.00184
0.00000
0.00164
4
0.00184
0.00000
0.00164
5
-0.00240
0.00000
0.03767
6
0.00240
0.00000
0.03767
7
0.03903
0.00000
0.02178
8
-0.03903
0.00000
0.02178
9
-0.00553
0.00000
0.00005
10
0.00553
0.00000
0.00005
11
0.00010
0.00000
-0.00037
12
-0.00010
0.00000
-0.00037
13
0.03278
0.00000
-0.43175
14
-0.03278
0.00000
-0.43175
15
-0.44258
0.00000
-0.26152
16
0.44259
0.00000
-0.26152
17
0.05170
0.00000
-0.02210
18
-0.05171
0.00000
-0.02210
19
-0.00191
0.00000
0.00116
20
0.00192
0.00000
0.00116