Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/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)
0.00000
Diff mu Z
(Debye)
0.27500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.14325
2
0.00000
0.10164
-0.01577
3
0.00000
-0.10164
-0.01577
4
0.00000
-0.03030
0.08121
5
0.00000
0.03030
0.08121
6
0.00000
0.02839
0.02177
7
0.00000
-0.02839
0.02177
8
0.00000
0.01081
-0.01262
9
0.00000
-0.01081
-0.01262
10
0.00000
0.00000
-0.04028
11
0.00000
0.00000
-0.15140
12
0.00000
-0.20125
0.09557
13
0.00000
0.20125
0.09557
14
0.00000
0.00392
0.25559
15
0.00000
-0.00392
0.25559
16
0.00000
0.02221
-0.05009
17
0.00000
-0.02221
-0.05009
18
0.00000
0.00000
-0.04181