Charge: 1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+1
Electronic States
Energy
(eV)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
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)
0.19900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04236
2
0.00000
0.00000
0.00160
3
0.00716
0.00000
-0.05978
4
-0.00716
0.00000
-0.05978
5
0.06298
0.00000
-0.01233
6
-0.06298
0.00000
-0.01233
7
-0.05522
0.00000
-0.08032
8
0.05522
0.00000
-0.08032
9
0.00429
0.00000
0.03331
10
-0.00429
0.00000
0.03331
11
-0.04742
0.00000
0.05704
12
0.04742
0.00000
0.05704
13
-0.20843
0.00000
0.00716
14
0.20843
0.00000
0.00716
15
0.13593
0.00000
0.23171
16
-0.13594
0.00000
0.23171
17
-0.11330
0.00000
0.25706
18
0.11330
0.00000
0.25706
19
0.07906
0.00000
-0.01846
20
-0.07906
0.00000
-0.01846