The molecular species with the SMILES representation of NC1=CC=C2NC=C(N)C(N)=C2N1 has a nuclear repulsion energy at the PBE level of theory of 884.83256 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}.