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)
-385.85306
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)
-0.61200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00031
0.00000
2
0.00000
-0.00024
-0.00016
3
0.00000
-0.00024
0.00016
4
0.00000
-0.00123
0.00009
5
0.00000
-0.00123
-0.00009
6
0.00000
0.00084
-0.00253
7
0.00000
0.00084
0.00253
8
0.00000
-0.05625
-0.01936
9
0.00000
-0.05625
0.01936
10
0.00000
0.00432
0.00000
11
0.00000
0.00013
0.00000
12
0.00000
0.00170
0.00181
13
0.00000
0.00170
-0.00181
14
0.00000
0.01276
-0.00155
15
0.00000
0.01276
0.00155
16
0.00000
0.63773
0.21656
17
0.00000
0.63770
-0.21655
18
0.00000
-0.00547
0.00000