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)
0.13600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00023
0.00000
0.00000
2
0.00178
0.00000
0.00000
3
0.00051
0.00000
-0.00073
4
0.00051
0.00000
0.00073
5
-0.00274
0.00000
0.03526
6
-0.00274
0.00000
-0.03525
7
-0.02007
0.00000
-0.01079
8
-0.02007
0.00000
0.01078
9
0.03413
0.00000
-0.01792
10
0.03412
0.00000
0.01791
11
-0.00016
0.00000
0.00010
12
-0.00016
0.00000
-0.00010
13
0.02522
0.00000
-0.41617
14
0.02521
0.00000
0.41612
15
0.23174
0.00000
0.13543
16
0.23170
0.00000
-0.13541
17
-0.40882
0.00000
0.21066
18
-0.40876
0.00000
-0.21063
19
0.00045
0.00142
-0.00109
20
0.00045
-0.00142
-0.00109
21
0.00045
-0.00142
0.00109
22
0.00045
0.00142
0.00109