TITLE sp16, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS Cl 17 .018820 -.817301 .000000 LIBRARY CLscG2ae END H 1 -.470488 .569480 .000000 LIBRARY HscG2ae END O 8 .018820 1.665579 .000000 LIBRARY OscG2ae END END MULTIPLICITY 3 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH