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)
0.26000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08849
0.00000
0.00000
2
-0.07871
0.00000
0.00000
3
-0.05275
0.00000
0.06086
4
-0.05275
0.00000
-0.06086
5
0.02963
0.00000
-0.00550
6
0.02962
0.00000
0.00550
7
-0.03025
0.00000
-0.08735
8
-0.03025
0.00000
0.08735
9
0.02089
0.00000
0.03314
10
0.02089
0.00000
-0.03314
11
0.01626
0.00000
0.02666
12
0.01626
0.00000
-0.02666
13
-0.05127
0.00000
0.00065
14
-0.05127
0.00000
-0.00065
15
0.23546
0.00000
0.34449
16
0.23546
0.00000
-0.34449
17
-0.00358
0.00000
0.09109
18
-0.00358
0.00000
-0.09109
19
-0.04569
0.00000
0.07620
20
-0.04569
0.00000
-0.07620