The molecule with the SMILES NC1=CC2=CNC=CC2=C(N)N1 has a nuclear repulsion energy at the PBE level of theory of 2586.89234 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}.