The chemical with the SMILES c1cnccn1 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.21715 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}.