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)
0.41000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.09018
0.00000
2
0.00000
-0.06161
-0.06440
3
0.00000
-0.06161
0.06440
4
0.00000
0.00991
-0.07250
5
0.00000
0.00991
0.07251
6
0.00000
-0.00439
0.03318
7
0.00000
-0.00439
-0.03318
8
0.00000
0.07134
-0.03965
9
0.00000
0.07134
0.03965
10
0.00000
-0.15968
0.00000
11
0.00000
-0.05622
0.00000
12
0.00000
0.04227
-0.06113
13
0.00000
0.04227
0.06113
14
0.00000
0.04189
0.07191
15
0.00000
0.04189
-0.07191
16
0.00000
0.06068
0.02357
17
0.00000
0.06068
-0.02358
18
0.00000
0.23083
0.00000