Benzo[a]anthracene (C18H12)
General Molecule Info
Charge: 2
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q+2
Electronic States
Energy From
Energy
(eV)
-692.94416
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Dipole Moments
mu_x(Debye)
-0.12381 mu_y
(Debye)
0.56882 mu_z
(Debye)
0.00000
Energy To
Energy
(eV)
-693.20070
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Dipole Moments
mu_x(Debye)
0.01602 mu_y
(Debye)
-0.00337 mu_z
(Debye)
0.00000
Energy
(eV)
0.25653