! RI-MP2 AutoAux ZORA Opt NormalPrint soscf Usesym %pal nprocs=4 end %geom maxiter 200 end %maxcore 400 %basis newgto O "ZORA-def2-TZVP" end newgto N "ZORA-def2-TZVP" end newgto H "ZORA-def2-TZVP" end end %scf maxiter 400 end * xyz 0 1 N 0.000000000 0.000000000 0.000000000 O 0.000000000 -1.089764000 0.571758000 O 0.000000000 1.089764000 0.571758000 O 0.000000000 0.000000000 -1.410000000 H 0.000000000 0.913501486 -1.724519734 *