***,h2o !A title r=1.85,theta=104 !set geometry parameters geometry={o; !z-matrix geometry input h1,O,r; h2,O,r,H1,theta} basis=vtz !use VTZ basis hf !closed-shell scf e(1)=energy !save scf energy in variable e(1) method(1)=program !save the string 'HF' in variable method(1) ccsd(t) !do ccsd(t) calculation e(2)=energy !save ccsd(t) energy in variable e(2) method(2)=program !save the string 'CCSD(T)' in variable method(2) casscf !do casscf calculation e(3)=energy !save scf energy in variable e(3) method(3)=program !save the string 'CASSCF' in variable method(3) mrci !do mrci calculation e(4)=energy !save scf energy in variable e(4) method(4)=program !save the string 'MRCI' in variable method(4) table,method,e !print a table with results title,Results for H2O, basis=$basis !title for the table