TITLE N2O BASIS TZ2P ANGSTROM VARIABLES R1 1.149 A R2 -1.204 A END ATOMS N 7 0.0 0.0 0.0 N 7 0.0 R1 0.0 O 8 0.0 R2 0.0 END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END OPTIMISE START FINISH