TITLE H2CCC, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 0.203558 LIBRARY CscG2ae END C 6 0.000000 0.000000 -1.130113 LIBRARY CscG2ae END C 6 0.000000 0.000000 1.494965 LIBRARY CscG2ae END H 1 0.000000 0.925225 -1.705229 LIBRARY HscG2ae END H 1 0.000000 -0.925225 -1.705229 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH