&pes pesname='DMBE HHH PES ' / &time tmax=8000.d0 , tstep=81, tdelay=500.d0 !801 ! tmax=3.0 , tstep=1, tdelay=00.d0 / &asymp_rho rho_infty_user=10d0 / &ek_dim edim=80 , emin=0.011d0 , emax=0.072d0 ! edim=40 , emin=0.011d0 , emax=0.072d0 / &pot_cut vcut=0.19d0 / &surface_grid sdim=801 , td_dim=851 / &qnumbers jtotal=1 , capm = 0, nvib_in=0 , j_in=1, l_in=0 , jmax=25 , parity=1 , use_pvs=.false. / &aphgauss sigma=0.3d0 , k0=8.5d0 , s0=9.5d0 / &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 = 'C2 ' /