Charge: 1
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+1
Electronic States
Energy
(eV)
-461.41109
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.09219 b
(cm-1)
0.02232 c
(cm-1)
0.01797
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02153
-0.04269
0.00000
2
0.02153
0.04269
0.00000
3
-0.02153
0.04269
0.00000
4
0.02153
-0.04269
0.00000
5
0.03291
0.04236
0.00000
6
-0.03291
-0.04236
0.00000
7
0.03291
-0.04236
0.00000
8
-0.03291
0.04236
0.00000
9
-0.11132
-0.03467
0.00000
10
0.11132
0.03467
0.00000
11
-0.11132
0.03467
0.00000
12
0.11132
-0.03467
0.00000
13
0.03045
0.00913
0.00000
14
-0.03045
-0.00913
0.00000
15
0.03045
-0.00913
0.00000
16
-0.03045
0.00913
0.00000
17
0.11984
0.09670
0.00000
18
-0.11984
-0.09670
0.00000
19
0.11984
-0.09670
0.00000
20
-0.11984
0.09670
0.00000