2.0141 # mass1 (atomic mass units) 2.0141 # mass2 (atomic mass units) 1975 # nozzle temperature (K) 1000 # number of grids for single-body Hamiltonian 6 # maximum number of vibrational states "Nvs" 50 # maximum angular momentum quantum number "Jmax" 0.8 # threshold energy for the harmonic fit (eV) 0.83018 # average initial translational energy (eV) 10000 # number of classical trajectories 0.65817364236 # broadening of normal translational energy distribution 1 # ortho-para states: 1="Yes", 0="No" 0.666666666666667 # ortho-para ratio for even J 0.333333333333333 # ortho-para ratio for odd J 0 # velocity distribution in the molecular beam: 0:"E_k=", 1:"f(E_k)=max(f)" 0 # state-resolved calculations 1="Yes", 0="No" 3 # v (if state-resolved flag is on) 0 # j (if state-resolved flag is on) 1 # Are alpha and v0 specified? 1="Yes", 0="No" 687 # alpha (m/s) 4461 # stream velocity (m/s) 0.8 # rotational temperature (as a fraction of Tn)