***,ar2 geometry={ar1;ar2,ar1,r} !geometry definition r=2.5 ang !bond distance {hf; !non-relativisitic scf calculation expec,rel,darwin,massv} !compute relativistic correction using Cowan-Griffin operator e_nrel=energy !save non-relativistic energy in variable enrel show,massv,darwin,erel !show individual contribution and their sum dkroll=1 !use douglas-kroll one-electron integrals hf; !relativistic scf calculation e_dk=energy !save relativistic scf energy in variable e_dk. show,massv,darwin,erel !show mass-velocity and darwin contributions and their sum show,e_dk-e_nrel !show relativistic correction using Douglas-Kroll