TITLE sp1, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS H 1 0.000480 -1.340627 0.000000 LIBRARY HscG2ae END Cl 17 0.000000 0.203252 0.000000 LIBRARY CLscG2ae END H 1 -0.000480 -2.114659 0.000000 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH