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)
-1.42300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08696
2
0.00000
0.00000
-0.05718
3
0.07747
0.00000
0.03527
4
-0.07747
0.00000
0.03527
5
0.09345
0.00000
-0.02711
6
-0.09345
0.00000
-0.02711
7
-0.00087
0.00000
-0.00192
8
0.00087
0.00000
-0.00192
9
-0.07640
0.00000
0.04540
10
0.07640
0.00000
0.04540
11
0.01366
0.00000
-0.04006
12
-0.01366
0.00000
-0.04006
13
-0.21090
0.00000
-0.01071
14
0.21090
0.00000
-0.01071
15
-0.10708
0.00000
-0.17500
16
0.10708
0.00000
-0.17500
17
0.01836
0.00000
-0.14656
18
-0.01836
0.00000
-0.14655
19
-0.09161
0.00000
0.01705
20
0.09161
0.00000
0.01705