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)
-0.13000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07325
-0.00001
2
0.00000
-0.07219
0.01567
3
0.00000
-0.07219
-0.01568
4
0.00000
0.04721
0.00028
5
0.00000
0.04720
-0.00028
6
0.00000
0.10750
-0.04910
7
0.00000
0.10750
0.04910
8
0.00000
0.00354
0.09049
9
0.00000
0.00354
-0.09049
10
0.00000
-0.07111
0.00000
11
0.00000
-0.04547
-0.00001
12
0.00000
-0.10026
0.02024
13
0.00000
-0.10026
-0.02024
14
0.00000
0.06986
0.10418
15
0.00000
0.06985
-0.10419
16
0.00000
-0.03049
0.19273
17
0.00000
-0.03049
-0.19272
18
0.00000
-0.16311
0.00000