The molecule with the SMILES FC1=C(F)NC2=C(F)NC=CC2=C1 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.13180 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasHomo__names__noun} of {optGasHomo#} {optGasHomo__units}.