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)
0.36600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00731
0.00000
0.00000
2
-0.09434
0.00000
0.00000
3
0.02899
0.00000
-0.02788
4
0.02899
0.00000
0.02788
5
-0.01801
0.00000
0.03229
6
-0.01801
0.00000
-0.03229
7
-0.02036
0.00000
0.04554
8
-0.02036
0.00000
-0.04554
9
0.04970
0.00000
-0.05632
10
0.04970
0.00000
0.05632
11
-0.01542
0.00000
-0.02984
12
-0.01542
0.00000
0.02984
13
-0.06391
0.00000
0.04244
14
-0.06391
0.00000
-0.04244
15
0.09862
0.00000
0.25109
16
0.09862
0.00000
-0.25109
17
0.23525
0.00000
-0.39531
18
0.23525
0.00000
0.39531
19
0.03881
0.00000
-0.07261
20
0.03881
0.00000
0.07261