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)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
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)
2.54800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.18245
2
0.00000
0.00000
-0.15225
3
-0.00706
0.00000
-0.06595
4
0.00706
0.00000
-0.06595
5
-0.02587
0.00000
0.03344
6
0.02587
0.00000
0.03344
7
0.01108
0.00000
0.04547
8
-0.01108
0.00000
0.04547
9
0.01996
0.00000
-0.04744
10
-0.01996
0.00000
-0.04744
11
-0.02090
0.00000
0.01741
12
0.02090
0.00000
0.01741
13
0.09830
0.00000
0.03100
14
-0.09830
0.00000
0.03100
15
-0.05019
0.00000
-0.05362
16
0.05019
0.00000
-0.05362
17
-0.03290
0.00000
0.04921
18
0.03290
0.00000
0.04921
19
0.01811
0.00000
-0.00297
20
-0.01811
0.00000
-0.00297