TITLE HCO_m, MP2/6-31G* geometry CHARGE -1 PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.078972 0.643238 0.000000 LIBRARY CscG2ae END O 8 0.081579 -0.612183 0.000000 LIBRARY OscG2ae END H 1 -1.126467 1.038031 0.000000 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH