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)
0.00000
Diff mu Z
(Debye)
-0.41900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00004
2
0.00000
0.00062
-0.00045
3
0.00000
-0.00062
-0.00045
4
0.00000
-0.00055
0.00014
5
0.00000
0.00055
0.00014
6
0.00000
-0.00026
-0.00106
7
0.00000
0.00026
-0.00106
8
0.00000
0.02782
0.01194
9
0.00000
-0.02782
0.01194
10
0.00000
0.00000
-0.06987
11
0.00000
0.00000
0.00054
12
0.00000
0.00642
0.00537
13
0.00000
-0.00642
0.00537
14
0.00000
0.00733
-0.00048
15
0.00000
-0.00732
-0.00048
16
0.00000
-0.34226
-0.11797
17
0.00000
0.34226
-0.11797
18
0.00000
0.00000
0.80615