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)
1.10200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00027
0.00000
2
0.00000
-0.00008
0.00042
3
0.00000
-0.00008
-0.00042
4
0.00000
-0.00152
0.00053
5
0.00000
-0.00152
-0.00053
6
0.00000
0.00142
-0.00066
7
0.00000
0.00142
0.00066
8
0.00000
-0.05853
-0.01656
9
0.00000
-0.05854
0.01656
10
0.00000
0.00713
0.00000
11
0.00000
-0.00003
0.00000
12
0.00000
0.00351
0.00294
13
0.00000
0.00351
-0.00294
14
0.00000
0.01712
-0.00238
15
0.00000
0.01712
0.00238
16
0.00000
0.63975
0.20491
17
0.00000
0.63988
-0.20495
18
0.00000
-0.00434
0.00002