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)
0.00000
Diff mu Z
(Debye)
0.43700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01998
2
0.00000
-0.04101
-0.02050
3
0.00000
0.04101
-0.02050
4
0.00000
-0.07169
-0.07394
5
0.00000
0.07169
-0.07393
6
0.00000
0.11688
0.08620
7
0.00000
-0.11687
0.08619
8
0.00000
0.01652
-0.04129
9
0.00000
-0.01652
-0.04129
10
0.00000
0.00000
0.01165
11
0.00000
0.00000
0.02416
12
0.00000
-0.10851
0.17285
13
0.00000
0.10851
0.17285
14
0.00000
-0.04350
0.11194
15
0.00000
0.04350
0.11192
16
0.00000
-0.02971
0.09812
17
0.00000
0.02971
0.09812
18
0.00000
0.00000
0.01299