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)
-384.61791
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09639 b
(cm-1)
0.04048 c
(cm-1)
0.02851
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.27338
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)
0.60900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07917
2
0.00000
0.00158
0.01503
3
0.00000
-0.00158
0.01503
4
0.00000
0.07161
-0.03548
5
0.00000
-0.07161
-0.03548
6
0.00000
0.07227
-0.05847
7
0.00000
-0.07227
-0.05847
8
0.00000
-0.10575
-0.01969
9
0.00000
0.10575
-0.01969
10
0.00000
0.00000
0.12253
11
0.00000
0.00000
0.08259
12
0.00000
0.00785
0.00799
13
0.00000
-0.00785
0.00799
14
0.00000
0.08802
0.02097
15
0.00000
-0.08802
0.02097
16
0.00000
-0.06440
-0.16108
17
0.00000
0.06440
-0.16108
18
0.00000
0.00000
0.12802