TITLE CH2CHO_m, MP2/6-31G* geometry CHARGE -1 PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.177580 -1.160248 0.227783 LIBRARY CscG2ae END C 6 0.177734 0.219767 0.227980 LIBRARY CscG2ae END O 8 -0.414483 1.055015 -0.531660 LIBRARY OscG2ae END H 1 0.824055 0.641651 1.057021 LIBRARY HscG2ae END H 1 -0.393626 -1.726674 -0.504907 LIBRARY HscG2ae END H 1 0.753556 -1.712207 0.966591 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH