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)
-0.00900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06595
0.00000
2
0.00000
-0.00255
0.01736
3
0.00000
-0.00255
-0.01736
4
0.00000
0.03267
0.07724
5
0.00000
0.03267
-0.07724
6
0.00000
-0.03671
0.03491
7
0.00000
-0.03671
-0.03491
8
0.00000
0.03072
0.08409
9
0.00000
0.03072
-0.08409
10
0.00000
-0.06802
0.00000
11
0.00000
0.17267
0.00000
12
0.00000
0.16224
-0.21980
13
0.00000
0.16224
0.21980
14
0.00000
-0.02877
-0.21615
15
0.00000
-0.02877
0.21615
16
0.00000
0.11547
-0.13325
17
0.00000
0.11547
0.13325
18
0.00000
0.34960
0.00000