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)
0.30800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.09708
2
0.00000
0.00000
0.09913
3
0.03417
0.00000
-0.10061
4
-0.03417
0.00000
-0.10061
5
0.01197
0.00000
-0.04756
6
-0.01197
0.00000
-0.04756
7
0.01175
0.00000
-0.02790
8
-0.01175
0.00000
-0.02790
9
-0.03857
0.00000
0.01982
10
0.03857
0.00000
0.01982
11
0.02504
0.00000
0.03631
12
-0.02504
0.00000
0.03631
13
0.29419
0.00000
-0.02882
14
-0.29419
0.00000
-0.02882
15
-0.13996
0.00000
0.20935
16
0.13996
0.00000
0.20935
17
0.00141
0.00000
0.09992
18
-0.00141
0.00000
0.09992
19
-0.02124
-0.00596
-0.01028
20
-0.02124
0.00596
-0.01028
21
0.02124
-0.00596
-0.01028
22
0.02124
0.00596
-0.01028