TITLE Al_m, MP2/6-31G* geometry CHARGE -1 PWFTOL 0.000000000001 ANGSTROM ATOMS AL 13 0.000000 0.000000 0.000000 LIBRARY ALscG2ae END END MULTIPLICITY 3 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH