***,mrcc calculations for h2o gthresh,energy=1.d-8 geometry={ o;h1,o,r;h2,o,r,h1,theta} theta=104 r=1 ang basis=vdz hf mrcc,method=cc3; !CC3 calculation method(1)=program e(1)=energy !the final energy is returned in variable energy ccsd(t) !CCSD(T) calculation using Molpro method(2)='CCSD(T) (MOLPRO)' e(2)=energy mrcc,method=ccsd(t) !CCSD(T) calculation using MRCC method(3)='CCSD(T) (MRCC)' e(3)=energy mrcc,method=ccsdt,dir=mrccdir !CCSDT calculation, run in directory mrccdir method(4)=program e(4)=energy mrcc,method=ccsdt(q),restart=1,dir=mrccdir !CCSDT(Q) calculation !restart with previous amplitudes method(5)=program e(5)=energy mrcc,method=CC(n),excitation=4,restart=1,dir=mrccdir !CCSDTQ calculation method(6)=program e(6)=energy table,method,e