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)
-461.42730
Description
S0
Multiplicity
1
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)
0.09388 b
(cm-1)
0.02232 c
(cm-1)
0.01803
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)
1.72300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01851
2
0.00000
0.00000
0.01851
3
0.00000
0.00000
0.01851
4
0.00000
0.00000
0.01851
5
0.00000
0.00000
-0.02409
6
0.00000
0.00000
-0.02409
7
0.00000
0.00000
-0.02409
8
0.00000
0.00000
-0.02409
9
0.00000
0.00000
-0.04742
10
0.00000
0.00000
-0.04742
11
0.00000
0.00000
-0.04742
12
0.00000
0.00000
-0.04742
13
0.00000
0.00000
0.24048
14
0.00000
0.00000
0.24048
15
0.00000
0.00000
0.24048
16
0.00000
0.00000
0.24048
17
0.00000
0.00000
0.39047
18
0.00000
0.00000
0.39047
19
0.00000
0.00000
0.39047
20
0.00000
0.00000
0.39047