Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+2
Electronic States
Energy
(eV)
-384.61791
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09639 b
(cm-1)
0.04048 c
(cm-1)
0.02851
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.27338
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)
0.21100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07571
2
0.00000
0.06028
0.11024
3
0.00000
-0.06028
0.11024
4
0.00000
0.00129
-0.09243
5
0.00000
-0.00129
-0.09243
6
0.00000
-0.01242
0.04973
7
0.00000
0.01242
0.04973
8
0.00000
-0.00764
-0.01677
9
0.00000
0.00764
-0.01677
10
0.00000
0.00000
0.00113
11
0.00000
-0.00001
-0.08741
12
0.00000
0.22787
-0.24491
13
0.00000
-0.22788
-0.24491
14
0.00000
0.05147
0.13531
15
0.00000
-0.05147
0.13531
16
0.00000
-0.01393
-0.00706
17
0.00000
0.01393
-0.00706
18
0.00000
0.00000
-0.00030