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)
0.62600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00003
-0.02248
2
0.00000
0.03610
0.01030
3
0.00000
-0.03609
0.01023
4
0.00000
0.01757
0.04858
5
0.00000
-0.01759
0.04856
6
0.00000
0.00120
0.03206
7
0.00000
-0.00119
0.03201
8
0.00000
0.04093
-0.12173
9
0.00000
-0.04092
-0.12177
10
0.00000
-0.00001
0.09766
11
0.00000
-0.00020
-0.02779
12
0.00000
0.11437
-0.17976
13
0.00000
-0.11454
-0.17991
14
0.00000
-0.03591
-0.21248
15
0.00000
0.03588
-0.21247
16
0.00000
-0.08908
0.26894
17
0.00000
0.08913
0.26901
18
0.00000
0.00005
0.11455