Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
-0.48400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00148
2
0.00000
0.00000
0.01380
3
-0.00355
0.00000
-0.00523
4
0.00355
0.00000
-0.00523
5
-0.00872
0.00000
-0.01208
6
0.00872
0.00000
-0.01208
7
-0.00392
0.00000
-0.00716
8
0.00392
0.00000
-0.00716
9
0.01361
0.00000
0.02198
10
-0.01361
0.00000
0.02198
11
0.03019
0.00000
-0.04696
12
-0.03019
0.00000
-0.04696
13
0.01077
0.00000
-0.01106
14
-0.01077
0.00000
-0.01106
15
0.00431
0.00000
-0.02428
16
-0.00431
0.00000
-0.02428
17
-0.02391
0.00000
-0.04810
18
0.02391
0.00000
-0.04810
19
-0.22225
0.28650
0.29942
20
-0.22225
-0.28650
0.29942
21
0.22225
0.28650
0.29942
22
0.22225
-0.28650
0.29942