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)
0.08800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05049
0.00000
2
0.00000
0.03154
-0.08023
3
0.00000
0.03154
0.08023
4
0.00000
-0.11452
0.00074
5
0.00000
-0.11452
-0.00074
6
0.00000
-0.00749
-0.03717
7
0.00000
-0.00749
0.03717
8
0.00000
0.05641
0.10275
9
0.00000
0.05642
-0.10275
10
0.00000
0.03021
0.00000
11
0.00000
-0.07039
0.00000
12
0.00000
0.08776
0.00977
13
0.00000
0.08776
-0.00977
14
0.00000
-0.11691
-0.01660
15
0.00000
-0.11691
0.01660
16
0.00000
0.04898
0.12819
17
0.00000
0.04898
-0.12819
18
0.00000
-0.11908
0.00000