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)
1.00600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02579
0.00000
0.00000
2
0.01088
0.00000
0.00000
3
-0.01435
0.00000
0.09580
4
-0.01435
0.00000
-0.09580
5
0.03205
0.00000
0.02336
6
0.03205
0.00000
-0.02336
7
-0.00158
0.00000
0.04031
8
-0.00158
0.00000
-0.04031
9
-0.01269
0.00000
-0.06416
10
-0.01269
0.00000
0.06416
11
-0.02107
0.00000
0.01823
12
-0.02107
0.00000
-0.01823
13
0.12639
0.00000
0.03213
14
0.12639
0.00000
-0.03213
15
0.03876
0.00000
-0.01809
16
0.03876
0.00000
0.01809
17
-0.14927
0.00000
-0.32692
18
-0.14927
0.00000
0.32692
19
0.28298
0.00000
0.23099
20
0.28298
0.00000
-0.23099