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
0.01835
0.05121
0.00000
2
-0.01835
-0.05121
0.00000
3
0.01835
-0.05121
0.00000
4
-0.01835
0.05121
0.00000
5
-0.03137
-0.04177
0.00000
6
0.03137
0.04177
0.00000
7
-0.03137
0.04177
0.00000
8
0.03137
-0.04177
0.00000
9
0.10649
0.03256
0.00000
10
-0.10649
-0.03256
0.00000
11
0.10649
-0.03256
0.00000
12
-0.10649
0.03256
0.00000
13
-0.03241
-0.00921
0.00000
14
0.03241
0.00921
0.00000
15
-0.03241
0.00921
0.00000
16
0.03241
-0.00921
0.00000
17
-0.14385
-0.10418
0.00000
18
0.14385
0.10418
0.00000
19
-0.14385
0.10418
0.00000
20
0.14385
-0.10418
0.00000