Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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)
0.19000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07535
2
0.00000
0.00000
-0.07633
3
-0.01762
0.00000
-0.04297
4
0.01762
0.00000
-0.04297
5
0.08491
0.00000
0.01733
6
-0.08491
0.00000
0.01733
7
0.02202
0.00000
0.06912
8
-0.02202
0.00000
0.06912
9
0.06512
0.00000
0.07855
10
-0.06512
0.00000
0.07855
11
0.00485
0.00000
-0.06252
12
-0.00485
0.00000
-0.06252
13
0.18974
0.00000
0.02396
14
-0.18974
0.00000
0.02396
15
-0.02090
0.00000
0.14004
16
0.02090
0.00000
0.14004
17
0.07865
0.00000
0.10389
18
-0.07865
0.00000
0.10389
19
-0.00894
0.00000
-0.07355
20
0.00894
0.00000
-0.07355