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)
-0.33600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00012
2
0.00000
0.00000
-0.00028
3
-0.00098
0.00000
-0.00083
4
0.00098
0.00000
-0.00083
5
-0.00116
0.00000
0.01063
6
0.00116
0.00000
0.01063
7
0.01813
0.00000
-0.01322
8
-0.01814
0.00000
-0.01323
9
0.04839
0.00000
0.02676
10
-0.04840
0.00000
0.02677
11
-0.00045
0.00000
-0.00040
12
0.00045
0.00000
-0.00040
13
-0.00657
0.00000
-0.11008
14
0.00658
0.00000
-0.11011
15
-0.20556
0.00000
0.12681
16
0.20562
0.00000
0.12684
17
-0.54326
0.00000
-0.29410
18
0.54342
0.00000
-0.29419
19
0.00402
0.00000
0.00658
20
-0.00402
0.00000
0.00657