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)
-385.71438
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09692 b
(cm-1)
0.04154 c
(cm-1)
0.02908
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.16806
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)
0.75500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07767
2
0.00000
-0.07652
-0.12129
3
0.00000
0.07652
-0.12129
4
0.00000
-0.02538
0.07555
5
0.00000
0.02538
0.07555
6
0.00000
0.03628
-0.01617
7
0.00000
-0.03628
-0.01617
8
0.00000
0.01342
-0.00204
9
0.00000
-0.01342
-0.00204
10
0.00000
0.00000
0.00615
11
0.00000
0.00000
0.08625
12
0.00000
-0.21866
0.23983
13
0.00000
0.21866
0.23983
14
0.00000
-0.06119
-0.06402
15
0.00000
0.06119
-0.06402
16
0.00000
0.00231
0.03920
17
0.00000
-0.00231
0.03920
18
0.00000
0.00000
0.00866