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)
0.06200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06602
0.00000
2
0.00000
-0.04096
0.01802
3
0.00000
-0.04097
-0.01802
4
0.00000
0.01427
0.03562
5
0.00000
0.01426
-0.03562
6
0.00000
-0.04193
0.09847
7
0.00000
-0.04192
-0.09847
8
0.00000
0.03029
0.01349
9
0.00000
0.03029
-0.01349
10
0.00000
0.02954
0.00000
11
0.00000
0.45803
0.00000
12
0.00000
-0.09475
0.04363
13
0.00000
-0.09473
-0.04362
14
0.00000
0.01101
0.04187
15
0.00000
0.01101
-0.04187
16
0.00000
-0.04573
0.25385
17
0.00000
-0.04573
-0.25386
18
0.00000
-0.42412
0.00000