Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
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)
0.08600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00578
2
0.00000
0.00000
0.07063
3
-0.03331
0.00000
-0.05996
4
0.03331
0.00000
-0.05996
5
-0.06703
0.00000
0.07750
6
0.06703
0.00000
0.07750
7
-0.04008
0.00000
0.01655
8
0.04008
0.00000
0.01655
9
-0.06882
0.00000
0.04057
10
0.06882
0.00000
0.04057
11
0.00793
0.00000
-0.10848
12
-0.00793
0.00000
-0.10848
13
-0.10598
0.00000
0.07835
14
0.10598
0.00000
0.07835
15
-0.06333
0.00000
0.04798
16
0.06333
0.00000
0.04798
17
-0.08878
0.00000
0.00981
18
0.08878
0.00000
0.00981
19
0.00047
0.00000
-0.11944
20
-0.00047
0.00000
-0.11944