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)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
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)
0.62100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02107
2
0.00000
0.00000
-0.01966
3
0.02730
0.00000
0.00628
4
-0.02730
0.00000
0.00628
5
0.05090
0.00000
0.04919
6
-0.05090
0.00000
0.04919
7
-0.02159
0.00000
-0.08728
8
0.02159
0.00000
-0.08728
9
-0.05010
0.00000
0.05160
10
0.05010
0.00000
0.05160
11
-0.05315
0.00000
-0.00242
12
0.05315
0.00000
-0.00242
13
0.29033
0.00000
0.06780
14
-0.29033
0.00000
0.06780
15
0.11008
0.00000
-0.32031
16
-0.11008
0.00000
-0.32031
17
-0.03823
0.00000
0.08716
18
0.03823
0.00000
0.08716
19
-0.12439
0.00000
-0.04989
20
0.12439
0.00000
-0.04989