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)
-0.78500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00124
2
0.00000
0.00000
-0.00010
3
-0.00141
0.00000
0.00234
4
0.00141
0.00000
0.00234
5
0.00002
0.00000
0.00031
6
-0.00002
0.00000
0.00031
7
-0.00022
0.00000
-0.00069
8
0.00022
0.00000
-0.00069
9
-0.00036
0.00000
0.00021
10
0.00036
0.00000
0.00021
11
0.04057
0.00000
-0.04777
12
-0.04057
0.00000
-0.04777
13
0.00030
0.00000
-0.00350
14
-0.00030
0.00000
-0.00350
15
0.00627
0.00000
0.00258
16
-0.00627
0.00000
0.00258
17
0.00515
0.00000
-0.00289
18
-0.00515
0.00000
-0.00289
19
-0.39696
0.00000
0.53997
20
0.39696
0.00000
0.53997