%nproc=24 %mem=100GB #p ROCCSD(T) cc-pV5Z pop=full gfprint G2 0,2 Si X,1,1. H,1,R,2,BETA H,1,R,2,BETA,3,120.,0 H,1,R,2,BETA,3,-120.,0 R=1.48480778 BETA=107.89090342