TITLE CH4, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.000000 0.000000 0.000000 LIBRARY CscG2ae END H 1 0.000000 0.000000 1.087445 LIBRARY HscG2ae END H 1 1.025253 0.000000 -0.362482 LIBRARY HscG2ae END H 1 -0.512627 0.887895 -0.362482 LIBRARY HscG2ae END H 1 -0.512627 -0.887895 -0.362482 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH