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)
0.00000
Diff mu Z
(Debye)
-0.49500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06203
2
0.00000
-0.00925
0.01056
3
0.00000
0.00925
0.01056
4
0.00000
0.03387
-0.00692
5
0.00000
-0.03387
-0.00692
6
0.00000
0.00015
-0.00138
7
0.00000
-0.00015
-0.00138
8
0.00000
0.00063
0.00025
9
0.00000
-0.00063
0.00025
10
0.00000
0.00000
0.00007
11
0.00000
0.00000
0.73100
12
0.00000
-0.12779
-0.10863
13
0.00000
0.12780
-0.10864
14
0.00000
-0.39323
0.08142
15
0.00000
0.39323
0.08142
16
0.00000
-0.00579
-0.00032
17
0.00000
0.00579
-0.00033
18
0.00000
0.00000
0.00214