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)
1.24800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.10500
0.00000
2
0.00000
0.12312
0.00000
3
0.00000
0.08831
0.00000
4
0.00000
0.08831
0.00000
5
0.00000
-0.06083
0.00000
6
0.00000
-0.06083
0.00000
7
0.00000
-0.04050
0.00000
8
0.00000
-0.04050
0.00000
9
0.00000
-0.01270
0.00000
10
0.00000
-0.01270
0.00000
11
0.00000
-0.04355
0.00000
12
0.00000
-0.04355
0.00000
13
0.00000
0.12624
0.00000
14
0.00000
0.12624
0.00000
15
0.00000
0.07802
0.00000
16
0.00000
0.07802
0.00000
17
0.00000
0.31047
0.00000
18
0.00000
0.31047
0.00000
19
0.00000
0.20216
0.00000
20
0.00000
0.20216
0.00000