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)
-385.33849
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09497 b
(cm-1)
0.04175 c
(cm-1)
0.02900
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.45804
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.04400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00273
0.00000
2
0.00000
-0.01560
0.00392
3
0.00000
-0.01560
-0.00392
4
0.00000
0.01884
-0.01828
5
0.00000
0.01884
0.01828
6
0.00000
-0.00670
0.05225
7
0.00000
-0.00670
-0.05225
8
0.00000
-0.02405
0.01537
9
0.00000
-0.02405
-0.01537
10
0.00000
0.05890
0.00000
11
0.00000
-0.51132
0.00000
12
0.00000
0.27500
-0.35865
13
0.00000
0.27500
0.35864
14
0.00000
0.07163
0.23801
15
0.00000
0.07163
-0.23800
16
0.00000
-0.02030
-0.00095
17
0.00000
-0.02030
0.00096
18
0.00000
-0.22011
0.00000