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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
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)
-0.02700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01673
2
0.00000
0.00000
0.05886
3
-0.05799
0.00000
-0.01263
4
0.05799
0.00000
-0.01263
5
0.03554
0.00000
0.05127
6
-0.03554
0.00000
0.05127
7
-0.11509
0.00000
-0.05258
8
0.11509
0.00000
-0.05258
9
0.09659
0.00000
-0.04140
10
-0.09659
0.00000
-0.04140
11
-0.00315
0.00000
0.00954
12
0.00314
0.00000
0.00954
13
-0.05390
0.00000
0.04592
14
0.05390
0.00000
0.04592
15
-0.18437
0.00000
0.05077
16
0.18437
0.00000
0.05077
17
0.13630
0.00000
0.02589
18
-0.13630
0.00000
0.02589
19
-0.02197
-0.00406
-0.01365
20
-0.02197
0.00406
-0.01365
21
0.02197
-0.00406
-0.01365
22
0.02197
0.00406
-0.01365