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)
-385.33849
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09497 b
(cm-1)
0.04175 c
(cm-1)
0.02900
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.45804
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.22000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.14185
0.00000
2
0.00000
-0.07493
-0.00774
3
0.00000
-0.07493
0.00774
4
0.00000
0.04381
0.08319
5
0.00000
0.04381
-0.08319
6
0.00000
-0.03140
-0.09204
7
0.00000
-0.03140
0.09204
8
0.00000
-0.00836
-0.01686
9
0.00000
-0.00836
0.01686
10
0.00000
0.03252
0.00000
11
0.00000
-0.22385
0.00000
12
0.00000
-0.01146
-0.07949
13
0.00000
-0.01146
0.07949
14
0.00000
-0.01543
-0.21281
15
0.00000
-0.01543
0.21280
16
0.00000
-0.03267
0.03556
17
0.00000
-0.03267
-0.03556
18
0.00000
-0.04537
0.00000