TITLE OH, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS O 8 0.000000 0.000000 0.000000 LIBRARY OscG2ae END H 1 0.000000 0.000000 0.968898 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH