TITLE isopropanol, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS O 8 .027191 1.363691 -.167516 LIBRARY OscG2ae END C 6 -.000926 .036459 .370128 LIBRARY CscG2ae END H 1 .859465 1.775647 .121307 LIBRARY HscG2ae END H 1 .007371 .082145 1.470506 LIBRARY HscG2ae END C 6 -1.313275 -.563514 -.088979 LIBRARY CscG2ae END C 6 1.200721 -.764480 -.104920 LIBRARY CscG2ae END H 1 -1.334005 -.607253 -1.181009 LIBRARY HscG2ae END H 1 1.202843 -.807817 -1.197189 LIBRARY HscG2ae END H 1 -2.147812 .054993 .247676 LIBRARY HscG2ae END H 1 2.136462 -.299324 .223164 LIBRARY HscG2ae END H 1 -1.438709 -1.574275 .308340 LIBRARY HscG2ae END H 1 1.177736 -1.784436 .289967 LIBRARY HscG2ae END END MULTIPLICITY 1 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH