# diceplayer initcyc = 1 maxcyc = 3 opt = NO nprocs = 2 qmprog = g09 lps = no ghosts = no altsteps = 20000 # dice ncores = 1 nmol = 1 100 dens = 0.75 nstep = 40000 60000 50000 isave = 1000 ljname = phb.pot outname = phb # Gaussian level = MP2/aug-cc-pVTZ