TITLE CH2S, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 -1.028863 LIBRARY CscG2ae END S 16 0.000000 0.000000 0.586706 LIBRARY SscG2ae END H 1 0.000000 -0.924043 -1.607061 LIBRARY HscG2ae END H 1 0.000000 0.924043 -1.607061 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH