symmetry,x geometry={h1;o,h1,r;h2,o,r,h1,theta} r=1.9 theta=102 runmp2={{hf;occ,4,1};mp2} runlmp2={hf;lmp2} optg,procedure=runmp2 optg,procedure=runlmp2 runccsdt={hf;ccsd(t)} extrapolate,procedure=runccsdt,basis=vtz:vqz