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)
-0.38900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.14952
2
0.00000
0.00000
-0.12055
3
0.00140
0.00000
-0.06436
4
-0.00140
0.00000
-0.06436
5
0.04723
0.00000
0.04917
6
-0.04723
0.00000
0.04917
7
-0.01549
0.00000
0.06302
8
0.01549
0.00000
0.06302
9
-0.04359
0.00000
-0.07489
10
0.04359
0.00000
-0.07489
11
0.00281
0.00000
0.00041
12
-0.00281
0.00000
0.00041
13
-0.10364
0.00000
0.04355
14
0.10364
0.00000
0.04355
15
0.05313
0.00000
-0.05649
16
-0.05313
0.00000
-0.05649
17
0.04008
0.00000
0.09476
18
-0.04008
0.00000
0.09476
19
-0.00374
0.02117
0.03149
20
-0.00374
-0.02117
0.03149
21
0.00374
0.02117
0.03149
22
0.00374
-0.02117
0.03149