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
-0.08385
-0.06869
0.00000
2
0.08385
0.06869
0.00000
3
-0.08385
0.06869
0.00000
4
0.08385
-0.06869
0.00000
5
-0.00359
-0.04811
0.00000
6
0.00359
0.04811
0.00000
7
-0.00359
0.04811
0.00000
8
0.00359
-0.04811
0.00000
9
-0.01230
0.04682
0.00000
10
0.01230
-0.04682
0.00000
11
-0.01230
-0.04682
0.00000
12
0.01230
0.04682
0.00000
13
-0.00370
0.10600
0.00000
14
0.00370
-0.10600
0.00000
15
-0.00370
-0.10600
0.00000
16
0.00370
0.10600
0.00000
17
-0.19655
-0.05175
0.00000
18
0.19655
0.05175
0.00000
19
-0.19655
0.05175
0.00000
20
0.19655
-0.05175
0.00000