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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.15000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09080
0.00000
0.00000
2
0.01171
0.00000
0.00000
3
0.06616
0.00000
-0.07268
4
0.06616
0.00000
0.07268
5
-0.02976
0.00000
0.05127
6
-0.02976
0.00000
-0.05127
7
0.04266
0.00000
0.01134
8
0.04266
0.00000
-0.01134
9
-0.02952
0.00000
0.03463
10
-0.02952
0.00000
-0.03463
11
-0.08608
0.00000
0.07425
12
-0.08608
0.00000
-0.07425
13
-0.03687
0.00000
0.05239
14
-0.03687
0.00000
-0.05239
15
0.09373
0.00000
0.09477
16
0.09373
0.00000
-0.09477
17
-0.03439
0.00000
0.04641
18
-0.03439
0.00000
-0.04641
19
-0.19783
0.00000
0.15263
20
-0.19783
0.00000
-0.15263