Charge: 2
Inchi:1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.16789
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)
0.09098 b
(cm-1)
0.02284 c
(cm-1)
0.01826
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
0.00000
0.00000
0.11005
2
0.00000
0.00000
-0.11005
3
0.00000
0.00000
-0.11005
4
0.00000
0.00000
0.11005
5
0.00000
0.00000
-0.05043
6
0.00000
0.00000
0.05043
7
0.00000
0.00000
0.05043
8
0.00000
0.00000
-0.05043
9
0.00000
0.00000
0.02241
10
0.00000
0.00000
-0.02241
11
0.00000
0.00000
-0.02241
12
0.00000
0.00000
0.02241
13
0.00000
0.00000
-0.25733
14
0.00000
0.00000
0.25733
15
0.00000
0.00000
0.25733
16
0.00000
0.00000
-0.25733
17
0.00000
0.00000
-0.03724
18
0.00000
0.00000
0.03724
19
0.00000
0.00000
0.03724
20
0.00000
0.00000
-0.03724