Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
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)
0.68900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00062
2
0.00000
0.00000
0.00221
3
0.00012
0.00000
0.00031
4
-0.00012
0.00000
0.00031
5
-0.00391
0.00000
-0.05856
6
0.00391
0.00000
-0.05856
7
-0.00184
0.00000
0.00064
8
0.00184
0.00000
0.00064
9
0.00827
0.00000
0.00706
10
-0.00827
0.00000
0.00706
11
0.00017
0.00000
-0.00015
12
-0.00017
0.00000
-0.00015
13
0.05071
0.00000
0.65920
14
-0.05071
0.00000
0.65921
15
0.01673
0.00000
-0.00970
16
-0.01673
0.00000
-0.00970
17
-0.11074
0.00000
-0.06209
18
0.11074
0.00000
-0.06209
19
-0.00039
0.00000
-0.00067
20
0.00039
0.00000
-0.00067