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)
-0.38100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04083
2
0.00000
0.04393
-0.02391
3
0.00000
-0.04393
-0.02391
4
0.00000
0.02988
-0.00458
5
0.00000
-0.02988
-0.00458
6
0.00000
0.07469
-0.04835
7
0.00000
-0.07469
-0.04835
8
0.00000
-0.11511
-0.01633
9
0.00000
0.11511
-0.01633
10
0.00000
0.00000
0.14911
11
0.00000
0.00000
0.03957
12
0.00000
-0.03503
-0.03350
13
0.00000
0.03503
-0.03350
14
0.00000
0.05041
0.08881
15
0.00000
-0.05042
0.08881
16
-0.00001
-0.06372
-0.17099
17
0.00000
0.06372
-0.17099
18
0.00000
0.00000
0.14891