TITLE cyclohexane, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 1.454937 LIBRARY CscG2ae END C 6 1.260012 0.000000 -0.727468 LIBRARY CscG2ae END C 6 -1.260012 0.000000 -0.727468 LIBRARY CscG2ae END C 6 -1.260012 -0.465718 0.727468 LIBRARY CscG2ae END C 6 1.260012 -0.465718 0.727468 LIBRARY CscG2ae END C 6 0.000000 -0.465718 -1.454937 LIBRARY CscG2ae END H 1 0.000000 1.097198 1.507777 LIBRARY HscG2ae END H 1 0.000000 -0.364310 2.489037 LIBRARY HscG2ae END H 1 1.305773 1.097198 -0.753889 LIBRARY HscG2ae END H 1 2.155570 -0.364310 -1.244519 LIBRARY HscG2ae END H 1 -1.305773 1.097198 -0.753889 LIBRARY HscG2ae END H 1 -2.155570 -0.364310 -1.244519 LIBRARY HscG2ae END H 1 -1.305773 -1.562916 0.753889 LIBRARY HscG2ae END H 1 -2.155570 -0.101408 1.244519 LIBRARY HscG2ae END H 1 1.305773 -1.562916 0.753889 LIBRARY HscG2ae END H 1 2.155570 -0.101408 1.244519 LIBRARY HscG2ae END H 1 0.000000 -1.562916 -1.507777 LIBRARY HscG2ae END H 1 0.000000 -0.101408 -2.489037 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH