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)
0.36000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02991
0.00000
0.00000
2
-0.07583
0.00000
0.00000
3
0.05652
0.00000
-0.02270
4
0.05652
0.00000
0.02270
5
-0.08133
0.00000
-0.06652
6
-0.08133
0.00000
0.06652
7
0.04427
0.00000
-0.07779
8
0.04427
0.00000
0.07779
9
-0.05973
0.00000
-0.07560
10
-0.05973
0.00000
0.07560
11
0.06364
0.00000
0.01075
12
0.06364
0.00000
-0.01075
13
-0.03663
0.00000
-0.07155
14
-0.03663
0.00000
0.07155
15
0.06130
0.00000
-0.05049
16
0.06130
0.00000
0.05049
17
-0.09141
0.00000
-0.01704
18
-0.09141
0.00000
0.01704
19
0.06193
0.00000
0.01306
20
0.06193
0.00000
-0.01306