The molecule with the SMILES OC1=CC=C2C(O)=CNC(O)=C2N1 has a nuclear repulsion energy at the PBE level of theory of 893.46539 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {nuclearRepulsionEnergy__names__noun} of {nuclearRepulsionEnergy#} {nuclearRepulsionEnergy__units}.