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)
-0.51400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.06056
2
0.00000
0.00000
0.08660
3
-0.09747
0.00000
-0.03120
4
0.09747
0.00000
-0.03120
5
-0.00040
0.00000
-0.03764
6
0.00040
0.00000
-0.03764
7
0.03826
0.00000
0.01442
8
-0.03826
0.00000
0.01442
9
0.00745
0.00000
-0.00201
10
-0.00745
0.00000
-0.00201
11
0.11517
0.00000
0.01303
12
-0.11517
0.00000
0.01303
13
0.17588
0.00000
-0.02746
14
-0.17588
0.00000
-0.02746
15
0.15837
0.00000
-0.18279
16
-0.15837
0.00000
-0.18279
17
-0.00507
0.00000
-0.03119
18
0.00507
0.00000
-0.03119
19
-0.04881
0.00000
-0.11798
20
0.04881
0.00000
-0.11798