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)
-384.61791
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09639 b
(cm-1)
0.04048 c
(cm-1)
0.02851
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.27338
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)
0.29900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00014
2
0.00000
-0.00020
0.00001
3
0.00000
0.00020
0.00001
4
0.00000
0.00108
-0.00044
5
0.00000
-0.00108
-0.00044
6
0.00000
-0.00057
0.00213
7
0.00000
0.00057
0.00213
8
0.00000
-0.05756
-0.01784
9
0.00000
0.05754
-0.01783
10
0.00000
0.00000
0.01408
11
0.00000
0.00000
-0.00134
12
0.00000
-0.00250
-0.00216
13
0.00000
0.00250
-0.00216
14
0.00000
-0.01263
0.00162
15
0.00000
0.01263
0.00162
16
0.00000
0.62700
0.20222
17
0.00000
-0.62686
0.20218
18
0.00000
0.00000
-0.18730