TITLE sp5, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS H 1 0.000000 0.000000 0.000000 LIBRARY HscG2ae END H 1 0.000000 0.000000 0.929474 LIBRARY HscG2ae END H 1 0.000000 0.000000 -0.929474 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH