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)
0.00000
Diff mu Y
(Debye)
0.42100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.08300
0.00000
2
0.00000
0.03814
0.03563
3
0.00000
0.03814
-0.03563
4
0.00000
-0.00129
0.00720
5
0.00000
-0.00129
-0.00720
6
0.00000
-0.01593
0.00376
7
0.00000
-0.01593
-0.00376
8
0.00000
0.05920
-0.06254
9
0.00000
0.05920
0.06254
10
0.00000
-0.02888
0.00000
11
0.00000
-0.38575
0.00000
12
0.00000
0.10253
-0.11342
13
0.00000
0.10254
0.11343
14
0.00000
-0.04495
-0.18783
15
0.00000
-0.04495
0.18781
16
0.00000
-0.09878
0.41826
17
0.00000
-0.09878
-0.41827
18
0.00000
-0.10764
0.00000