TITLE CH3_2CH, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 .014223 .543850 .000000 LIBRARY CscG2ae END C 6 .014223 -.199742 1.291572 LIBRARY CscG2ae END C 6 .014223 -.199742 -1.291572 LIBRARY CscG2ae END H 1 -.322890 1.575329 .000000 LIBRARY HscG2ae END H 1 .221417 .459174 2.138477 LIBRARY HscG2ae END H 1 .221417 .459174 -2.138477 LIBRARY HscG2ae END H 1 -.955157 -.684629 1.484633 LIBRARY HscG2ae END H 1 .767181 -.995308 1.286239 LIBRARY HscG2ae END H 1 .767181 -.995308 -1.286239 LIBRARY HscG2ae END H 1 -.955157 -.684629 -1.484633 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH