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)
0.77700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02958
0.00000
0.00000
2
-0.06313
0.00000
0.00000
3
-0.06313
0.00000
0.00000
4
-0.01417
0.00000
0.00000
5
-0.01417
0.00000
0.00000
6
0.00625
0.00000
0.00000
7
0.00625
0.00000
0.00000
8
0.03173
0.00000
0.00000
9
0.03173
0.00000
0.00000
10
0.01132
0.00000
0.00000
11
0.50469
0.00000
0.00000
12
0.37185
0.00000
0.00000
13
0.37185
0.00000
0.00000
14
0.29156
0.00000
0.00000
15
0.29156
0.00000
0.00000
16
-0.21092
0.00000
0.00000
17
-0.21092
0.00000
0.00000
18
-0.25579
0.00000
0.00000