TITLE C6H6_p, MP2/6-31G* geometry CHARGE +1 PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 -0.693952 LIBRARY CscG2ae END C 6 0.000000 0.000000 2.067519 LIBRARY CscG2ae END C 6 0.000000 -1.246596 0.000000 LIBRARY CscG2ae END C 6 0.000000 1.246596 0.000000 LIBRARY CscG2ae END C 6 0.000000 -1.246596 1.373568 LIBRARY CscG2ae END C 6 0.000000 1.246596 1.373568 LIBRARY CscG2ae END H 1 0.000000 0.000000 -1.781166 LIBRARY HscG2ae END H 1 0.000000 0.000000 3.154734 LIBRARY HscG2ae END H 1 0.000000 -2.173941 -0.564063 LIBRARY HscG2ae END H 1 0.000000 2.173941 -0.564063 LIBRARY HscG2ae END H 1 0.000000 -2.173941 1.937630 LIBRARY HscG2ae END H 1 0.000000 2.173941 1.937630 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH