Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+1
Electronic States
Energy
(eV)
-385.85306
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09480 b
(cm-1)
0.04163 c
(cm-1)
0.02893
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.43892
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)
0.43600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00109
2
0.00000
0.00482
0.00147
3
0.00000
-0.00482
0.00147
4
0.00000
0.01502
0.00563
5
0.00000
-0.01503
0.00563
6
0.00000
0.00180
-0.01895
7
0.00000
-0.00180
-0.01895
8
0.00000
-0.10008
0.01862
9
0.00000
0.10008
0.01862
10
0.00000
0.00000
-0.09564
11
0.00000
0.00000
-0.00147
12
0.00000
-0.02234
0.02359
13
0.00000
0.02234
0.02359
14
0.00000
0.02501
0.04441
15
0.00000
-0.02501
0.04441
16
0.00000
-0.26484
0.48084
17
0.00000
0.26484
0.48084
18
0.00000
0.00000
-0.10563