Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+2
Electronic States
Energy
(eV)
-385.60867
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09587 b
(cm-1)
0.04112 c
(cm-1)
0.02878
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.18402
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)
-0.33800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05442
2
0.00000
0.01446
0.00138
3
0.00000
-0.01446
0.00138
4
0.00000
0.05497
-0.01272
5
0.00000
-0.05497
-0.01272
6
0.00000
0.07145
-0.05045
7
0.00000
-0.07145
-0.05045
8
0.00000
-0.11915
-0.02831
9
0.00000
0.11915
-0.02831
10
0.00000
0.00000
0.13303
11
0.00000
0.00000
0.05440
12
0.00000
-0.01259
0.00098
13
0.00000
0.01259
0.00098
14
0.00000
0.07263
0.05893
15
0.00000
-0.07263
0.05893
16
0.00000
-0.06713
-0.19761
17
0.00000
0.06713
-0.19761
18
0.00000
0.00000
0.13482