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)
-1.63100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.06870
2
0.00000
-0.01863
-0.07151
3
0.00000
0.01863
-0.07151
4
0.00000
0.00131
0.01462
5
0.00000
-0.00131
0.01462
6
0.00000
-0.05765
0.11039
7
0.00000
0.05765
0.11039
8
0.00000
-0.08748
-0.05021
9
0.00000
0.08748
-0.05021
10
0.00000
0.00000
-0.02111
11
0.00000
0.00000
0.07436
12
0.00000
0.12826
-0.21208
13
0.00000
-0.12826
-0.21208
14
0.00000
-0.03043
-0.11480
15
0.00000
0.03043
-0.11480
16
0.00000
-0.11370
-0.01852
17
0.00000
0.11370
-0.01852
18
0.00000
0.00000
-0.02861