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)
-385.33849
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09497 b
(cm-1)
0.04175 c
(cm-1)
0.02900
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.45804
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.50600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.09328
0.00000
2
0.00000
-0.06480
-0.06819
3
0.00000
-0.06480
0.06819
4
0.00000
0.01102
-0.07465
5
0.00000
0.01102
0.07465
6
0.00000
-0.00367
0.03129
7
0.00000
-0.00367
-0.03129
8
0.00000
0.06825
-0.04034
9
0.00000
0.06825
0.04034
10
0.00000
-0.15478
0.00000
11
0.00000
-0.03434
0.00000
12
0.00000
0.03966
-0.05730
13
0.00000
0.03966
0.05729
14
0.00000
0.04180
0.06585
15
0.00000
0.04180
-0.06586
16
0.00000
0.05815
0.02114
17
0.00000
0.05815
-0.02114
18
0.00000
0.23029
0.00000