!ethanol memory,200,M {gthresh,grid=1d-12,orbital=1.0d-07} ! Original geometry symmetry,nosym geometry={ O1 -3.3265927677 2.7508371961 0.4722099522 H2 -2.4299560718 3.2260275232 0.4808555391 C3 -4.1955133281 0.5390054989 -0.0225174814 C4 -2.9373667449 1.4340964566 0.0502923154 H5 -4.9209868031 0.9595827880 -0.7359982137 H6 -4.6761386977 0.4760110751 0.9660347037 H7 -3.9228360337 -0.4750976765 -0.3498843604 H8 -2.4504497951 1.4273894050 -0.9556425922 H9 -2.2107086788 0.9518805278 0.7491777878 } basis={ default,sto-3g } ! This works without specifying the start record for each calculation. ! However, I would highly recommend specifying the start and save dump records ! to ensure that it always works. proc low_proc {rks,LDA,hf_cor=0;core,0;start,2103.2;save,2103.2} {force} endproc proc hi_proc1 {HF,hf_cor=0;core,0;start,2104.2;save,2104.2} {MP2;core,0;cphf,thrmin=1.d-7} {force} endproc proc runembed {rks,LDA;core,0;start,2100.2;save,2100.2} {locali,pipek,thrpip=1.0d-14;core,0} {embed,grad,highproc=hi_proc1,lowproc=low_proc,truncate=0.01,orbs=[9,10,11,12,13]} endproc {optg,procedure=runembed}