TITLE Mg_p, MP2/6-31G* geometry CHARGE +1 PWFTOL 0.000000000001 ANGSTROM ATOMS MG 12 0.000000 0.000000 0.000000 LIBRARY MGscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH