&pes pesname='DMBE HHH PES ' / &time tmax=8000.d0, tstep=801, tdelay=500.d0 !tmax=8000.d0, tstep=801, tdelay=500.d0 / &asymp_rho rho_infty_user=9.5d0 / &ek_dim edim=80 , emin=0.011d0 , emax=0.072d0 / &pot_cut vcut=0.19d0 / &surface_grid sdim=801 , td_dim=851 / &qnumbers jtotal=0 , capm = 0, nvib_in=0 , j_in=0, l_in=0 , jmax=16, parity=0 , use_pvs=.false. / &aphgauss sigma=0.3d0 , k0=8.5d0 , s0=9.0d0 / &nip_input nip_rho_user=10.75d0 , order=3 , ufac=0.75d0 / &outputopt test_print=.false. / &symmetry !determine whether we use full symmetry or, if not, which autosym = .false. , forcegroup = 'C2v' /