Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.30800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00079
0.00000
0.00000
2
0.00258
0.00000
0.00000
3
0.00147
0.00000
-0.00129
4
0.00147
0.00000
0.00129
5
0.00016
0.00000
0.02790
6
0.00016
0.00000
-0.02789
7
-0.02692
0.00000
-0.01681
8
-0.02692
0.00000
0.01681
9
-0.03905
0.00000
0.01937
10
-0.03905
0.00000
-0.01937
11
-0.00025
0.00000
0.00019
12
-0.00025
0.00000
-0.00019
13
0.01570
0.00000
-0.30539
14
0.01570
0.00000
0.30538
15
0.30274
0.00000
0.18122
16
0.30272
0.00000
-0.18121
17
0.43009
0.00000
-0.22174
18
0.43008
0.00000
0.22173
19
0.00026
0.00178
-0.00159
20
0.00026
-0.00178
-0.00159
21
0.00026
-0.00178
0.00159
22
0.00026
0.00178
0.00159