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)
0.09900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06875
0.00000
0.00000
2
0.08705
0.00000
0.00000
3
-0.00512
0.00000
0.05095
4
-0.00512
0.00000
-0.05095
5
-0.03710
0.00000
0.02763
6
-0.03710
0.00000
-0.02763
7
0.05310
0.00000
-0.02731
8
0.05310
0.00000
0.02731
9
-0.03578
0.00000
-0.04995
10
-0.03578
0.00000
0.04995
11
0.02298
0.00000
-0.01093
12
0.02298
0.00000
0.01093
13
0.12855
0.00000
0.04496
14
0.12855
0.00000
-0.04496
15
-0.05842
0.00000
0.17687
16
-0.05842
0.00000
-0.17687
17
0.10585
0.00000
0.22934
18
0.10585
0.00000
-0.22934
19
-0.13104
0.16749
0.17829
20
-0.13104
-0.16749
0.17829
21
-0.13104
-0.16748
-0.17829
22
-0.13104
0.16748
-0.17829