Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
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)
-0.34000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.08360
2
0.00000
0.00000
-0.06759
3
-0.04568
0.00000
-0.04987
4
0.04568
0.00000
-0.04987
5
-0.03022
0.00000
0.07170
6
0.03022
0.00000
0.07170
7
0.03763
0.00000
-0.01070
8
-0.03763
0.00000
-0.01070
9
-0.00450
0.00000
-0.01019
10
0.00450
0.00000
-0.01019
11
-0.02927
0.00000
0.09218
12
0.02927
0.00000
0.09218
13
0.04553
0.00000
0.08020
14
-0.04553
0.00000
0.08020
15
0.01288
0.00000
0.02713
16
-0.01288
0.00000
0.02713
17
-0.11497
0.00000
-0.22135
18
0.11497
0.00000
-0.22135
19
-0.29850
0.00000
-0.09479
20
0.29850
0.00000
-0.09479