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)
0.27000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02888
0.00000
0.00000
2
-0.08922
0.00000
0.00000
3
0.01730
0.00000
0.00804
4
0.01730
0.00000
-0.00804
5
-0.05874
0.00000
-0.09477
6
-0.05874
0.00000
0.09477
7
0.03168
0.00000
-0.05857
8
0.03168
0.00000
0.05857
9
-0.03177
0.00000
-0.08178
10
-0.03177
0.00000
0.08178
11
0.09340
0.00000
-0.01411
12
0.09340
0.00000
0.01411
13
-0.01178
0.00000
-0.09871
14
-0.01178
0.00000
0.09871
15
0.02400
0.00000
-0.07125
16
0.02400
0.00000
0.07125
17
-0.06336
0.00000
-0.02566
18
-0.06336
0.00000
0.02566
19
0.13651
0.00000
-0.04310
20
0.13651
0.00000
0.04310