Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+1
Electronic States
Energy
(eV)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
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)
0.06700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03240
2
0.00000
-0.02133
0.01651
3
0.00000
0.02133
0.01651
4
0.00000
-0.04270
0.00896
5
0.00000
0.04270
0.00896
6
0.00000
-0.00018
0.00115
7
0.00000
0.00018
0.00115
8
0.00000
-0.00066
0.00002
9
0.00000
0.00066
0.00002
10
0.00000
0.00000
-0.00031
11
0.00000
0.00000
0.39425
12
0.00000
-0.26017
-0.21188
13
0.00000
0.26016
-0.21187
14
0.00000
0.50656
-0.10785
15
0.00000
-0.50651
-0.10784
16
0.00000
0.00431
-0.00039
17
0.00000
-0.00431
-0.00039
18
0.00000
0.00000
0.00103