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)
0.55500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01261
0.00000
2
0.00000
-0.02182
-0.03453
3
0.00000
-0.02182
0.03453
4
0.00000
0.02477
-0.04367
5
0.00000
0.02477
0.04367
6
0.00000
-0.00869
0.03776
7
0.00000
-0.00869
-0.03776
8
0.00000
-0.05646
0.04072
9
0.00000
-0.05646
-0.04072
10
0.00000
0.09387
0.00000
11
0.00000
-0.01907
0.00000
12
0.00000
-0.05216
0.07353
13
0.00000
-0.05216
-0.07353
14
0.00000
0.01213
-0.10301
15
0.00000
0.01213
0.10301
16
0.00000
-0.14719
0.30402
17
0.00000
-0.14718
-0.30402
18
0.00000
0.60681
0.00000