The compound with the SMILES Oc1nc(O)c2c(O)cnc(O)c2c1O has a optimized gas-phase molecular energy at the PBE level of theory of -417.45916 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasEnergy__names__noun} of {optGasEnergy#} {optGasEnergy__units}.