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)
1.40200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01175
0.00000
2
0.00000
0.04036
0.00000
3
0.00000
0.04997
0.00000
4
0.00000
0.04997
0.00000
5
0.00000
-0.03954
0.00000
6
0.00000
-0.03954
0.00000
7
0.00000
-0.01801
0.00000
8
0.00000
-0.01801
0.00000
9
0.00000
-0.02174
0.00000
10
0.00000
-0.02174
0.00000
11
0.00000
-0.07840
0.00000
12
0.00000
-0.07840
0.00000
13
0.00000
0.16866
0.00000
14
0.00000
0.16866
0.00000
15
0.00000
0.03865
0.00000
16
0.00000
0.03865
0.00000
17
0.00000
0.25585
0.00000
18
0.00000
0.25585
0.00000
19
0.00000
0.50909
0.00000
20
0.00000
0.50909
0.00000