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)
-385.86921
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09470 b
(cm-1)
0.04162 c
(cm-1)
0.02891
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.41127
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.42700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08842
0.00000
0.00000
2
-0.03781
0.00000
0.00000
3
-0.03781
0.00000
0.00000
4
-0.08379
0.00000
0.00000
5
-0.08379
0.00000
0.00000
6
0.12474
0.00000
0.00000
7
0.12474
0.00000
0.00000
8
0.02456
0.00000
0.00000
9
0.02456
0.00000
0.00000
10
-0.06545
0.00000
0.00000
11
0.17218
0.00000
0.00000
12
-0.12253
0.00000
0.00000
13
-0.12253
0.00000
0.00000
14
-0.27528
0.00000
0.00000
15
-0.27528
0.00000
0.00000
16
-0.04729
0.00000
0.00000
17
-0.04729
0.00000
0.00000
18
-0.21510
0.00000
0.00000