%nproc=8 %Mem=4GB %Chk=s9ls_def2tzvp_freq #P UBLYP/Def2TZVP IOp(3/76=1000001500) IOp(3/77=0720008000) IOp(3/78=0810010000) GFINPUT GFOLDPRINT NOSYMM SCFCYC=200 5D 7F FREQ SCF=(DIRECT,CONVER=8,FERMI,XQC) Int=(Acc2E=11,Grid=Ultrafine) GUESS=CHECK GEOM=CHECK Full freq low-spin (S=1/2) 1 2