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)
1.85400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02110
2
0.00000
0.00000
0.02110
3
0.00000
0.00000
0.02110
4
0.00000
0.00000
0.02110
5
0.00000
0.00000
-0.03374
6
0.00000
0.00000
-0.03374
7
0.00000
0.00000
-0.03374
8
0.00000
0.00000
-0.03374
9
0.00000
0.00000
-0.04112
10
0.00000
0.00000
-0.04112
11
0.00000
0.00000
-0.04112
12
0.00000
0.00000
-0.04112
13
0.00000
0.00000
0.27442
14
0.00000
0.00000
0.27442
15
0.00000
0.00000
0.27442
16
0.00000
0.00000
0.27442
17
0.00000
0.00000
0.36574
18
0.00000
0.00000
0.36574
19
0.00000
0.00000
0.36574
20
0.00000
0.00000
0.36574