Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+1
Electronic States
Energy
(eV)
-385.87618
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09453 b
(cm-1)
0.04092 c
(cm-1)
0.02856
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.38427
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.09900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03143
0.00000
2
0.00000
0.02106
-0.00323
3
0.00000
0.02106
0.00323
4
0.00000
-0.01607
-0.03981
5
0.00000
-0.01607
0.03981
6
0.00000
-0.01475
-0.08550
7
0.00000
-0.01475
0.08550
8
0.00000
0.05174
-0.10022
9
0.00000
0.05174
0.10022
10
0.00000
-0.08244
0.00000
11
0.00000
-0.11742
0.00000
12
0.00000
-0.15995
0.22785
13
0.00000
-0.15995
-0.22785
14
0.00000
0.03780
0.20580
15
0.00000
0.03780
-0.20580
16
0.00000
-0.05341
0.21770
17
0.00000
-0.05341
-0.21770
18
0.00000
0.07644
0.00000