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)
1.51600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02254
2
0.00000
0.00000
0.02254
3
0.00000
0.00000
0.02254
4
0.00000
0.00000
0.02254
5
0.00000
0.00000
-0.02454
6
0.00000
0.00000
-0.02454
7
0.00000
0.00000
-0.02454
8
0.00000
0.00000
-0.02454
9
0.00000
0.00000
-0.04720
10
0.00000
0.00000
-0.04720
11
0.00000
0.00000
-0.04720
12
0.00000
0.00000
-0.04720
13
0.00000
0.00000
0.15728
14
0.00000
0.00000
0.15728
15
0.00000
0.00000
0.15728
16
0.00000
0.00000
0.15728
17
0.00000
0.00000
0.42845
18
0.00000
0.00000
0.42845
19
0.00000
0.00000
0.42845
20
0.00000
0.00000
0.42845