TITLE LiF, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS LI 3 .000000 .000000 -1.174965 LIBRARY LIscG2ae END F 9 .000000 .000000 .391655 LIBRARY FscG2ae END END MULTIPLICITY 1 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH