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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.73700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00025
0.00000
0.00000
2
0.00096
0.00000
0.00000
3
0.00045
0.00000
0.00189
4
0.00045
0.00000
-0.00189
5
-0.00040
0.00000
-0.00882
6
-0.00040
0.00000
0.00882
7
-0.02146
0.00000
0.01435
8
-0.02146
0.00000
-0.01435
9
-0.01944
0.00000
-0.01141
10
-0.01944
0.00000
0.01141
11
0.02642
0.00000
0.04063
12
0.02642
0.00000
-0.04063
13
0.00851
0.00000
0.09531
14
0.00851
0.00000
-0.09531
15
0.24671
0.00000
-0.15364
16
0.24671
0.00000
0.15364
17
0.22021
0.00000
0.11832
18
0.22021
0.00000
-0.11832
19
-0.31081
0.00000
-0.44774
20
-0.31081
0.00000
0.44774