geometry={o;h1,o,r;h2,o,r,h1,theta} theta=102 r=0.96 ang proc cbs34 basis=vtz hf ccsd(t) eref(1)=energr ecc(1)=energy basis=vqz hf ccsd(t) eref(2)=energr ecc(2)=energy extrapolate,basis=vtz:vqz,eref=eref,etot=ecc endproc optg,variable=ecbs,proc=cbs34