Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/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)
-0.55000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00022
0.00000
2
0.00000
0.01586
-0.01130
3
0.00000
0.01586
0.01130
4
0.00000
-0.05257
0.01087
5
0.00000
-0.05257
-0.01087
6
0.00000
0.00053
0.00180
7
0.00000
0.00053
-0.00180
8
0.00000
0.00113
0.00034
9
0.00000
0.00113
-0.00034
10
0.00000
-0.00015
0.00000
11
0.00000
-0.00044
-0.00001
12
0.00000
-0.18684
-0.15123
13
0.00000
-0.18686
0.15124
14
0.00000
0.61802
-0.13168
15
0.00000
0.61806
0.13169
16
0.00000
-0.01128
-0.00230
17
0.00000
-0.01128
0.00230
18
0.00000
-0.00026
0.00000