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)
-0.44800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.12970
2
0.00000
0.00000
-0.05161
3
-0.05097
0.00000
-0.04443
4
0.05097
0.00000
-0.04443
5
0.04460
0.00000
-0.02240
6
-0.04460
0.00000
-0.02240
7
0.00567
0.00000
-0.03777
8
-0.00567
0.00000
-0.03777
9
0.01488
0.00000
0.09274
10
-0.01488
0.00000
0.09274
11
-0.00688
0.00000
0.00366
12
0.00688
0.00000
0.00366
13
-0.26902
0.00000
-0.04813
14
0.26902
0.00000
-0.04813
15
0.02592
0.00000
-0.07940
16
-0.02592
0.00000
-0.07940
17
-0.16599
0.00000
-0.23867
18
0.16599
0.00000
-0.23867
19
0.05147
-0.02649
-0.00052
20
0.05147
0.02649
-0.00052
21
-0.05147
-0.02649
-0.00052
22
-0.05147
0.02649
-0.00052