10-dehydro anthracene (C14)
General Molecule Info
Charge: 1
Inchi:1S/C14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/q+1
Electronic States
Energy
(eV)
-531.781967
Description
D1
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Dipole Moments
mu_x(Debye)
0.000599 mu_y
(Debye)
0.000000 mu_z
(Debye)
-0.000004
Ionisation Energies
theoretic adiabatic electron affinity 0.305801 eV Charge: 0; Multiplicity: 3
Energy
(eV)
-531.793736
Description
Q0
Multiplicity
4
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Dipole Moments
mu_x(Debye)
-0.001005 mu_y
(Debye)
0.000000 mu_z
(Debye)
-0.000001
Ionisation Energies
theoretic adiabatic electron affinity 0.294031 eV Charge: 0; Multiplicity: 3