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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.54400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06271
0.00000
0.00000
2
0.07294
0.00000
0.00000
3
0.04551
0.00000
-0.02681
4
0.04552
0.00000
0.02681
5
-0.02756
0.00000
-0.00294
6
-0.02756
0.00000
0.00294
7
-0.00498
0.00000
-0.03789
8
-0.00498
0.00000
0.03789
9
-0.00099
0.00000
0.02988
10
-0.00099
0.00000
-0.02988
11
-0.05837
0.00000
-0.02035
12
-0.05836
0.00000
0.02036
13
0.09794
0.00000
0.00803
14
0.09793
0.00000
-0.00803
15
-0.10533
0.00000
0.11341
16
-0.10533
0.00000
-0.11341
17
-0.04526
0.00000
-0.04552
18
-0.04526
0.00000
0.04552
19
0.27199
-0.21702
-0.15047
20
0.27199
0.21702
-0.15047
21
0.27196
0.21699
0.15045
22
0.27196
-0.21699
0.15045