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)
-0.14400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01952
0.00000
2
0.00000
-0.04339
-0.02267
3
0.00000
-0.04339
0.02267
4
0.00000
-0.01482
-0.02237
5
0.00000
-0.01482
0.02236
6
0.00000
0.08187
0.08369
7
0.00000
0.08187
-0.08371
8
0.00000
-0.05007
0.00428
9
0.00000
-0.05009
-0.00428
10
0.00000
0.05088
0.00001
11
0.00000
-0.19303
0.00000
12
0.00000
0.19843
-0.27567
13
0.00000
0.19844
0.27569
14
0.00000
-0.06423
-0.24153
15
0.00000
-0.06425
0.24159
16
0.00000
-0.00872
-0.12587
17
0.00000
-0.00872
0.12592
18
0.00000
-0.26693
0.00001