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)
-0.14600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07668
0.00000
0.00000
2
0.06325
0.00000
0.00000
3
-0.07656
0.00000
-0.07641
4
-0.07656
0.00000
0.07641
5
0.07583
0.00000
-0.02813
6
0.07583
0.00000
0.02813
7
-0.06549
0.00000
-0.04257
8
-0.06549
0.00000
0.04257
9
0.06581
0.00000
-0.04028
10
0.06581
0.00000
0.04028
11
-0.00097
0.00000
0.05385
12
-0.00097
0.00000
-0.05385
13
0.04012
0.00000
-0.03085
14
0.04012
0.00000
0.03085
15
-0.11210
0.00000
0.03681
16
-0.11210
0.00000
-0.03681
17
0.09646
0.00000
0.01676
18
0.09646
0.00000
-0.01676
19
0.07196
0.00000
0.10381
20
0.07196
0.00000
-0.10381