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)
-385.85306
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09480 b
(cm-1)
0.04163 c
(cm-1)
0.02893
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.43892
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)
-0.43000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06266
2
0.00000
-0.01147
0.01223
3
0.00000
0.01147
0.01223
4
0.00000
0.03232
-0.00679
5
0.00000
-0.03232
-0.00679
6
0.00000
0.00002
-0.00113
7
0.00000
-0.00002
-0.00113
8
0.00000
0.00070
0.00024
9
0.00000
-0.00070
0.00024
10
0.00000
0.00000
-0.00005
11
0.00000
0.00000
0.73582
12
0.00000
-0.15257
-0.12838
13
0.00000
0.15257
-0.12838
14
0.00000
-0.37372
0.07868
15
0.00000
0.37370
0.07868
16
0.00000
-0.00710
-0.00097
17
0.00000
0.00710
-0.00097
18
0.00000
0.00000
0.00362