TITLE ketene, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 .000000 .000000 -1.219340 LIBRARY CscG2ae END C 6 .000000 .000000 .098920 LIBRARY CscG2ae END H 1 .000000 .938847 -1.753224 LIBRARY HscG2ae END H 1 .000000 -.938847 -1.753224 LIBRARY HscG2ae END O 8 .000000 .000000 1.278620 LIBRARY OscG2ae END END MULTIPLICITY 1 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH