TITLE acetone, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS O 8 .000000 .000000 1.405591 LIBRARY OscG2ae END C 6 .000000 .000000 .179060 LIBRARY CscG2ae END C 6 .000000 1.285490 -.616342 LIBRARY CscG2ae END C 6 .000000 -1.285490 -.616342 LIBRARY CscG2ae END H 1 .000000 2.134917 .066535 LIBRARY HscG2ae END H 1 .000000 -2.134917 .066535 LIBRARY HscG2ae END H 1 -.881086 1.331548 -1.264013 LIBRARY HscG2ae END H 1 .881086 1.331548 -1.264013 LIBRARY HscG2ae END H 1 .881086 -1.331548 -1.264013 LIBRARY HscG2ae END H 1 -.881086 -1.331548 -1.264013 LIBRARY HscG2ae END END MULTIPLICITY 1 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH