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)
0.25200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01531
0.00000
2
0.00000
0.03073
0.02454
3
0.00000
0.03073
-0.02454
4
0.00000
0.03629
0.02740
5
0.00000
0.03629
-0.02740
6
0.00000
-0.10591
-0.06407
7
0.00000
-0.10591
0.06407
8
0.00000
0.03603
0.02815
9
0.00000
0.03603
-0.02815
10
0.00000
-0.01687
0.00000
11
0.00000
0.00190
0.00000
12
0.00000
-0.04236
0.06790
13
0.00000
-0.04236
-0.06791
14
0.00000
0.12224
0.42547
15
0.00000
0.12224
-0.42548
16
0.00000
0.01772
0.08775
17
0.00000
0.01771
-0.08776
18
0.00000
0.25405
0.00000