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)
-384.61791
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09639 b
(cm-1)
0.04048 c
(cm-1)
0.02851
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.27338
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.75900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00156
0.00000
2
0.00000
-0.01145
-0.01236
3
0.00000
-0.01145
0.01236
4
0.00000
-0.01889
-0.03256
5
0.00000
-0.01889
0.03256
6
0.00000
0.02124
0.02261
7
0.00000
0.02124
-0.02261
8
0.00000
0.06334
-0.09538
9
0.00000
0.06334
0.09538
10
0.00000
-0.05382
0.00000
11
0.00000
-0.05970
0.00000
12
0.00000
0.00037
-0.00363
13
0.00000
0.00038
0.00364
14
0.00000
-0.06831
-0.25120
15
0.00000
-0.06831
0.25119
16
0.00000
-0.09369
0.42621
17
0.00000
-0.09369
-0.42621
18
0.00000
-0.24921
0.00000