Charge: 2
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+2
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)
1.51700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00966
2
0.00000
0.01672
0.00745
3
0.00000
-0.01672
0.00745
4
0.00000
-0.03207
0.01729
5
0.00000
0.03207
0.01729
6
0.00000
0.14224
-0.01750
7
0.00000
-0.14224
-0.01750
8
0.00000
0.01950
0.05754
9
0.00000
-0.01950
0.05754
10
0.00000
0.00000
-0.04642
11
0.00000
0.00000
-0.01219
12
0.00000
0.00759
-0.02666
13
0.00000
-0.00759
-0.02666
14
0.00000
-0.11894
-0.39610
15
0.00000
0.11894
-0.39610
16
0.00000
0.03261
0.01628
17
0.00000
-0.03261
0.01628
18
0.00000
-0.00001
-0.04992