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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.88900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07509
0.00000
0.00000
2
0.03941
0.00000
0.00000
3
0.03496
0.00000
0.02136
4
0.03496
0.00000
-0.02136
5
-0.00499
0.00000
0.00560
6
-0.00499
0.00000
-0.00560
7
0.02182
0.00000
-0.03867
8
0.02182
0.00000
0.03867
9
-0.02364
0.00000
-0.00099
10
-0.02364
0.00000
0.00099
11
-0.04076
0.00000
0.02943
12
-0.04076
0.00000
-0.02943
13
0.01539
0.00000
0.00958
14
0.01539
0.00000
-0.00958
15
-0.11336
0.00000
0.18172
16
-0.11336
0.00000
-0.18172
17
0.02609
0.00000
0.09771
18
0.02609
0.00000
-0.09771
19
0.21721
-0.24843
-0.22157
20
0.21721
0.24843
-0.22157
21
0.21721
0.24843
0.22157
22
0.21721
-0.24843
0.22157