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)
0.04500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01776
0.00000
0.00000
2
0.00186
0.00000
0.00000
3
-0.00399
0.00000
-0.04449
4
-0.00399
0.00000
0.04449
5
-0.04663
0.00000
-0.03132
6
-0.04663
0.00000
0.03132
7
0.01555
0.00000
-0.02729
8
0.01555
0.00000
0.02729
9
0.03429
0.00000
0.06175
10
0.03429
0.00000
-0.06175
11
0.00337
0.00000
-0.01735
12
0.00337
0.00000
0.01735
13
-0.35142
0.00000
-0.05147
14
-0.35142
0.00000
0.05147
15
0.03915
0.00000
-0.06997
16
0.03915
0.00000
0.06997
17
0.21853
0.00000
0.41687
18
0.21853
0.00000
-0.41687
19
-0.02689
0.00314
-0.03502
20
-0.02689
-0.00314
-0.03502
21
-0.02689
-0.00314
0.03502
22
-0.02689
0.00314
0.03502