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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
0.11100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02130
2
0.00000
0.00000
-0.06431
3
0.06371
0.00000
0.01251
4
-0.06371
0.00000
0.01251
5
-0.03666
0.00000
-0.04778
6
0.03666
0.00000
-0.04778
7
0.11218
0.00000
0.05311
8
-0.11218
0.00000
0.05311
9
-0.09709
0.00000
0.04130
10
0.09709
0.00000
0.04130
11
-0.00026
0.00000
-0.00787
12
0.00026
0.00000
-0.00787
13
0.06017
0.00000
-0.04150
14
-0.06017
0.00000
-0.04150
15
0.17705
0.00000
-0.05466
16
-0.17705
0.00000
-0.05466
17
-0.13155
0.00000
-0.02779
18
0.13155
0.00000
-0.02779
19
0.01823
0.00232
0.01165
20
0.01823
-0.00232
0.01165
21
-0.01823
0.00232
0.01165
22
-0.01823
-0.00232
0.01165