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)
0.25500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.11443
0.00000
0.00000
2
-0.11275
0.00000
0.00000
3
-0.11275
0.00000
0.00000
4
0.07307
0.00000
0.00000
5
0.07307
0.00000
0.00000
6
0.00636
0.00000
0.00000
7
0.00636
0.00000
0.00000
8
-0.06084
0.00000
0.00000
9
-0.06084
0.00000
0.00000
10
0.06562
0.00000
0.00000
11
0.28885
0.00000
0.00000
12
-0.18944
0.00000
0.00000
13
-0.18944
0.00000
0.00000
14
0.15675
0.00000
0.00000
15
0.15675
0.00000
0.00000
16
-0.13873
0.00000
0.00000
17
-0.13873
0.00000
0.00000
18
0.15247
0.00000
0.00000