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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.17000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07528
2
0.00000
0.00000
0.07552
3
0.02173
0.00000
0.03945
4
-0.02173
0.00000
0.03945
5
-0.08120
0.00000
-0.01748
6
0.08120
0.00000
-0.01748
7
-0.01862
0.00000
-0.07067
8
0.01862
0.00000
-0.07067
9
-0.06088
0.00000
-0.08120
10
0.06088
0.00000
-0.08120
11
-0.01399
0.00000
0.06538
12
0.01399
0.00000
0.06538
13
-0.18615
0.00000
-0.02304
14
0.18615
0.00000
-0.02304
15
0.02332
0.00000
-0.14028
16
-0.02332
0.00000
-0.14028
17
-0.07521
0.00000
-0.10767
18
0.07521
0.00000
-0.10767
19
-0.00489
-0.00085
0.07065
20
-0.00489
0.00085
0.07065
21
0.00489
-0.00085
0.07065
22
0.00489
0.00085
0.07065