# diceplayer maxcyc = 3 opt = YES nprocs = 4 qmprog = g16 lps = no ghosts = no altsteps = 20000 # dice ncores = 3 nmol = 1 50 dens = 0.75 nstep = 4000 6000 isave = 1000 ljname = phb.ljc outname = phb randominit = first # Gaussian level = MP2/aug-cc-pVTZ