Benzo[a]pyrene (C20H12)
General Molecule Info
Charge: -1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q-1
Electronic States
Energy From
Energy
(eV)
-768.41876
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Dipole Moments
mu_x(Debye)
-0.01444 mu_y
(Debye)
-0.01131 mu_z
(Debye)
0.00000
Energy To
Energy
(eV)
-768.43016
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Dipole Moments
mu_x(Debye)
0.18439 mu_y
(Debye)
0.13615 mu_z
(Debye)
0.00000
Energy
(eV)
0.01140