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)
-0.03100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.11578
2
0.00000
0.00000
-0.04787
3
-0.03963
0.00000
-0.08461
4
0.03963
0.00000
-0.08461
5
-0.02701
0.00000
0.09222
6
0.02701
0.00000
0.09222
7
0.02072
0.00000
-0.02141
8
-0.02072
0.00000
-0.02141
9
-0.01904
0.00000
-0.00032
10
0.01904
0.00000
-0.00032
11
0.01239
0.00000
0.09362
12
-0.01239
0.00000
0.09362
13
0.05867
0.00000
0.10141
14
-0.05867
0.00000
0.10141
15
-0.01073
0.00000
0.01978
16
0.01073
0.00000
0.01978
17
-0.11619
0.00000
-0.17844
18
0.11619
0.00000
-0.17844
19
-0.04754
-0.00055
0.04252
20
-0.04754
0.00055
0.04252
21
0.04754
-0.00055
0.04252
22
0.04754
0.00055
0.04252