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)
0.34200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00589
2
0.00000
0.00000
0.08035
3
-0.02789
0.00000
-0.03050
4
0.02789
0.00000
-0.03050
5
-0.07129
0.00000
0.06736
6
0.07129
0.00000
0.06736
7
-0.04757
0.00000
0.01167
8
0.04757
0.00000
0.01167
9
-0.08324
0.00000
0.02961
10
0.08324
0.00000
0.02961
11
0.01492
0.00000
-0.11032
12
-0.01492
0.00000
-0.11032
13
-0.10433
0.00000
0.06820
14
0.10433
0.00000
0.06820
15
-0.05605
0.00000
0.01828
16
0.05605
0.00000
0.01828
17
-0.10168
0.00000
0.00200
18
0.10168
0.00000
0.00200
19
0.01070
0.00105
-0.10936
20
0.01070
-0.00105
-0.10936
21
-0.01070
0.00105
-0.10936
22
-0.01070
-0.00105
-0.10936