TITLE sp14, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS H 1 -1.477576 -.209398 .000454 LIBRARY HscG2ae END N 7 -.604481 .337143 -.000079 LIBRARY NscG2ae END N 7 .327017 -.459576 .000046 LIBRARY NscG2ae END H 1 1.270678 .139685 -.000812 LIBRARY HscG2ae END H 1 2.149144 .926742 .000587 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH