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)
0.17000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00043
0.00005
0.00000
2
0.00043
0.00005
0.00000
3
-0.00043
0.00005
0.00000
4
-0.00043
0.00005
0.00000
5
-0.00103
-0.01280
0.00000
6
-0.00103
-0.01280
0.00000
7
0.00103
-0.01281
0.00000
8
0.00103
-0.01280
0.00000
9
0.03355
0.01829
0.00000
10
0.03355
0.01829
0.00000
11
-0.03355
0.01830
0.00000
12
-0.03355
0.01829
0.00000
13
0.00497
0.15428
0.00000
14
0.00497
0.15430
0.00000
15
-0.00497
0.15430
0.00000
16
-0.00497
0.15428
0.00000
17
-0.39538
-0.22027
0.00000
18
-0.39543
-0.22030
0.00000
19
0.39543
-0.22030
0.00000
20
0.39539
-0.22027
0.00000