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)
-385.33887
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09476 b
(cm-1)
0.04104 c
(cm-1)
0.02864
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36944
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)
0.12800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01081
2
0.00000
-0.06242
0.06978
3
0.00000
0.06242
0.06978
4
0.00000
0.11529
0.04938
5
0.00000
-0.11529
0.04938
6
0.00000
0.04813
-0.00556
7
0.00000
-0.04813
-0.00556
8
0.00000
0.00606
-0.07380
9
0.00000
-0.00606
-0.07380
10
0.00000
0.00000
-0.09395
11
0.00000
0.00000
0.01448
12
0.00000
0.01068
0.13734
13
0.00000
-0.01068
0.13734
14
0.00000
0.11924
0.05381
15
0.00000
-0.11924
0.05381
16
0.00000
0.02031
-0.12970
17
0.00000
-0.02031
-0.12970
18
0.00000
0.00000
-0.09544