TITLE CH3_m, MP2/6-31G* geometry CHARGE -1 PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 0.000000 LIBRARY CscG2ae END H 1 1.002718 0.000000 -0.500946 LIBRARY HscG2ae END H 1 -0.501359 -0.868379 -0.500946 LIBRARY HscG2ae END H 1 -0.501359 0.868379 -0.500946 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH