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)
0.66600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00431
0.00000
0.00000
2
0.09018
0.00000
0.00000
3
-0.02662
0.00000
-0.04135
4
-0.02662
0.00000
0.04135
5
-0.08095
0.00000
-0.02516
6
-0.08095
0.00000
0.02516
7
0.00164
0.00000
-0.05253
8
0.00164
0.00000
0.05253
9
0.00321
0.00000
0.08415
10
0.00321
0.00000
-0.08415
11
0.02864
0.00000
-0.05803
12
0.02864
0.00000
0.05803
13
0.26988
0.00000
-0.05655
14
0.26988
0.00000
0.05655
15
0.07136
0.00000
0.04672
16
0.07136
0.00000
-0.04672
17
0.16197
0.00000
-0.19420
18
0.16197
0.00000
0.19420
19
-0.13239
0.00000
0.03534
20
-0.13239
0.00000
-0.03534