TITLE S_p, MP2/6-31G* geometry CHARGE +1 PWFTOL 0.000000000001 ANGSTROM ATOMS S 16 0.000000 0.000000 0.000000 LIBRARY SscG2ae END END MULTIPLICITY 4 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH