%nproc=24 %mem=100GB #p ROCCSD(T) cc-pV5Z pop=full gfprint G2 0,1 O C,1,RCO H,2,RH,1,THETA H,2,RH,1,THETA,3,180.,0 RCO=1.19995954 THETA=122.47953272 RH=1.1108676