TITLE C6H5, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 0.000000 LIBRARY CscG2ae END C 6 2.672986 0.000000 0.000000 LIBRARY CscG2ae END C 6 0.618055 -1.205269 0.000000 LIBRARY CscG2ae END C 6 0.618055 1.205269 0.000000 LIBRARY CscG2ae END C 6 1.990858 -1.188637 0.000000 LIBRARY CscG2ae END C 6 1.990858 1.188637 0.000000 LIBRARY CscG2ae END H 1 3.758721 0.000000 0.000000 LIBRARY HscG2ae END H 1 0.064036 -2.138559 0.000000 LIBRARY HscG2ae END H 1 0.064036 2.138559 0.000000 LIBRARY HscG2ae END H 1 2.538039 -2.128122 0.000000 LIBRARY HscG2ae END H 1 2.538039 2.128122 0.000000 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH