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)
0.00000
Diff mu Z
(Debye)
-0.17800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00279
2
0.00000
0.00000
-0.06448
3
-0.02436
0.00000
0.06932
4
0.02436
0.00000
0.06932
5
-0.07124
0.00000
-0.08474
6
0.07124
0.00000
-0.08474
7
-0.02791
0.00000
-0.01649
8
0.02791
0.00000
-0.01649
9
-0.06456
0.00000
-0.03971
10
0.06456
0.00000
-0.03971
11
0.01078
0.00000
0.10597
12
-0.01078
0.00000
0.10597
13
-0.10262
0.00000
-0.08600
14
0.10262
0.00000
-0.08600
15
-0.04836
0.00000
-0.04593
16
0.04836
0.00000
-0.04593
17
-0.09219
0.00000
0.00422
18
0.09219
0.00000
0.00422
19
-0.00163
0.00000
0.11920
20
0.00163
0.00000
0.11920