***,N2F2 CIS GEOMETRY (C2h) rnn=1.223,ang !define N-N distance rnf=1.398,ang !define N-F distance alpha=114.5; !define FNN angle geometry={N1 N2,N1,rnn F1,N1,rnf,N2,alpha F2,N2,rnf,N1,alpha,F1,180} basis=vtz !cc-pVTZ basis set $method=[hf,cisd,ccsd(t),qcisd(t),bccd(t)] !all methods to use do i=1,#method !loop over requested methods $method(i) !perform calculation for given methods e(i)=energy !save energy in variable e enddo !end loop over methods table,method,e !print a table with results title,Results for n2f2, basis=$basis !title of table