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)
0.03100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05351
0.00000
0.00000
2
-0.08052
0.00000
0.00000
3
0.06011
0.00000
0.04918
4
0.06011
0.00000
-0.04919
5
-0.07502
0.00000
0.05975
6
-0.07502
0.00000
-0.05975
7
0.05515
0.00000
0.06318
8
0.05515
0.00000
-0.06318
9
-0.07016
0.00000
0.06250
10
-0.07016
0.00000
-0.06250
11
0.04295
0.00000
-0.03986
12
0.04295
0.00000
0.03986
13
-0.02465
0.00000
0.06276
14
-0.02465
0.00000
-0.06276
15
0.08538
0.00000
0.01129
16
0.08538
0.00000
-0.01129
17
-0.10264
0.00000
-0.00047
18
-0.10264
0.00000
0.00047
19
0.02382
0.00101
-0.05359
20
0.02382
-0.00101
-0.05359
21
0.02382
-0.00101
0.05359
22
0.02382
0.00101
0.05359