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)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.88100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00300
0.00000
2
0.00000
-0.04160
0.03543
3
0.00000
-0.04160
-0.03543
4
0.00000
-0.02074
0.00601
5
0.00000
-0.02074
-0.00601
6
0.00000
0.00056
0.00100
7
0.00000
0.00056
-0.00100
8
0.00000
0.00062
0.00034
9
0.00000
0.00062
-0.00034
10
0.00000
0.00002
0.00000
11
0.00000
-0.00382
0.00000
12
0.00000
0.48745
0.40075
13
0.00000
0.48744
-0.40074
14
0.00000
0.23244
-0.05143
15
0.00000
0.23244
0.05142
16
0.00000
-0.00762
-0.00203
17
0.00000
-0.00762
0.00203
18
0.00000
-0.00025
0.00000