TITLE FCH3F_comp, Truhlar geometry CHARGE -1 PWFTOL 0.000000000001 ANGSTROM ATOMS F 9 0.000000 0.000000 -1.847626 LIBRARY FscG2ae END C 6 0.000000 0.000000 -0.421873 LIBRARY CscG2ae END H 1 0.000000 1.023581 -0.073843 LIBRARY HscG2ae END H 1 -0.886447 -0.511791 -0.073843 LIBRARY HscG2ae END H 1 0.886447 -0.511791 -0.073843 LIBRARY HscG2ae END F 9 0.000000 0.000000 2.153489 LIBRARY FscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH