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)
0.00000
Diff mu Z
(Debye)
0.81000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00001
0.02473
2
0.00000
-0.03814
-0.01322
3
0.00000
0.03814
-0.01324
4
0.00000
-0.02431
-0.04610
5
0.00000
0.02431
-0.04610
6
0.00000
0.02260
-0.03396
7
0.00000
-0.02259
-0.03398
8
0.00000
-0.03818
0.12785
9
0.00000
0.03819
0.12784
10
0.00000
0.00000
-0.10316
11
0.00000
-0.00005
0.03019
12
0.00000
-0.11649
0.18113
13
0.00000
0.11645
0.18111
14
0.00000
0.01846
0.16130
15
0.00000
-0.01847
0.16131
16
0.00000
0.08301
-0.24112
17
0.00000
-0.08300
-0.24111
18
0.00000
0.00001
-0.12154