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)
-0.46700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05593
2
0.00000
0.00000
0.05593
3
0.00000
0.00000
0.05593
4
0.00000
0.00000
0.05593
5
0.00000
0.00000
-0.09401
6
0.00000
0.00000
-0.09401
7
0.00000
0.00000
-0.09401
8
0.00000
0.00000
-0.09401
9
0.00000
0.00000
0.05413
10
0.00000
0.00000
0.05413
11
0.00000
0.00000
0.05413
12
0.00000
0.00000
0.05413
13
0.00000
0.00000
-0.25749
14
0.00000
0.00000
-0.25749
15
0.00000
0.00000
-0.25749
16
0.00000
0.00000
-0.25749
17
0.00000
0.00000
0.06638
18
0.00000
0.00000
0.06638
19
0.00000
0.00000
0.06638
20
0.00000
0.00000
0.06638