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)
1.20400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00141
2
0.00000
0.00000
0.00003
3
0.00210
0.00000
0.00451
4
-0.00210
0.00000
0.00451
5
0.00001
0.00000
-0.00020
6
-0.00001
0.00000
-0.00020
7
-0.00109
0.00000
0.00011
8
0.00109
0.00000
0.00011
9
-0.00045
0.00000
-0.00015
10
0.00045
0.00000
-0.00015
11
-0.03306
0.00000
-0.05191
12
0.03306
0.00000
-0.05191
13
0.00002
0.00000
0.00108
14
-0.00002
0.00000
0.00107
15
0.00759
0.00000
-0.00534
16
-0.00759
0.00000
-0.00534
17
0.00369
0.00000
0.00198
18
-0.00369
0.00000
0.00198
19
0.36886
0.00000
0.56084
20
-0.36886
0.00000
0.56084