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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
-0.44100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07595
2
0.00000
0.00000
0.07045
3
0.02382
0.00000
0.04366
4
-0.02382
0.00000
0.04366
5
-0.07325
0.00000
-0.01756
6
0.07325
0.00000
-0.01756
7
-0.01204
0.00000
-0.07452
8
0.01204
0.00000
-0.07452
9
-0.06136
0.00000
-0.08232
10
0.06136
0.00000
-0.08232
11
-0.01396
0.00000
0.06817
12
0.01396
0.00000
0.06817
13
-0.17700
0.00000
-0.02207
14
0.17700
0.00000
-0.02207
15
0.03269
0.00000
-0.14754
16
-0.03269
0.00000
-0.14754
17
-0.07533
0.00000
-0.11011
18
0.07533
0.00000
-0.11011
19
-0.00186
0.00058
0.07658
20
-0.00186
-0.00058
0.07658
21
0.00186
0.00058
0.07658
22
0.00186
-0.00058
0.07658