%mem=23300MB %nproc=12 #p M06/GENecp Temperature=323 opt=(maxstep=3) nosymm freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=n,n-DiMethylFormamide) Triad project-ALM 0 1 6 -3.474568 -2.116564 0.084511 6 -2.080237 -2.130601 0.093638 6 -1.384488 -0.925966 0.011125 6 -2.067440 0.289546 -0.081883 6 -3.458447 0.294265 -0.091349 6 -4.162346 -0.908439 -0.008158 1 -4.019503 -3.052944 0.150298 1 -1.546870 -3.072076 0.165994 1 -1.518975 1.224468 -0.148044 1 -3.992114 1.236530 -0.164724 1 -5.248251 -0.901868 -0.015851 6 0.116853 -0.905478 0.004678 9 0.623695 -0.118557 0.983707 9 0.615299 -0.416076 -1.157229 9 0.663318 -2.124789 0.171071 -Cu -Ag -Au -I SDD **** -C -H -P -F -S -O -N -Br 6-31+G(d,p) **** -Cu -Ag -Au -I SDD