Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-7H,8H2/q+2
Electronic States
Energy
(eV)
-385.85306
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09480 b
(cm-1)
0.04163 c
(cm-1)
0.02893
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.43892
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.15100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06344
0.00000
2
0.00000
-0.01284
0.04506
3
0.00000
-0.01284
-0.04506
4
0.00000
-0.07634
0.04983
5
0.00000
-0.07634
-0.04983
6
0.00000
0.06825
0.00591
7
0.00000
0.06825
-0.00591
8
0.00000
-0.03727
-0.02880
9
0.00000
-0.03727
0.02880
10
0.00000
0.00840
0.00000
11
0.00000
0.23078
0.00000
12
0.00000
0.08654
-0.17291
13
0.00000
0.08654
0.17291
14
0.00000
-0.05041
0.19186
15
0.00000
-0.05041
-0.19186
16
0.00000
-0.11729
0.20130
17
0.00000
-0.11729
-0.20131
18
0.00000
0.46194
0.00000