%mem=123300MB
%nproc=24
#p M06/GENecp Temperature=323 opt=(ts,noeigentest,calcfc,maxstep=3) nosymm freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=n,n-DiMethylFormamide)

Triad project-ALM

0 1
 Au                 3.48749500   11.23036600    2.94012800
 C                  4.23022500   12.02473500    1.12840800
 C                  3.62046200   12.78519600    4.59104200
 C                  4.94287800   13.01756800    4.96301700
 C                  2.70211500   13.81903500    4.40222300
 C                  5.36594900   14.33783500    5.10540300
 H                  5.63175600   12.18890500    5.12732900
 C                  3.15126800   15.13009000    4.55938200
 H                  1.66795900   13.61159000    4.13910900
 C                  4.47787500   15.38980100    4.90192700
 H                  6.40115500   14.53182500    5.37908400
 H                  2.45447900   15.94979600    4.40267100
 H                  4.81553200   16.42245900    5.02150700
 F                  3.34146000   12.05222500    0.08858200
 F                  5.32127700   11.36450200    0.61789000
 F                  4.65663500   13.32268600    1.24177400
 I                  2.65469800   10.69671600    5.44682900
 C                  2.37957500    8.11763000    2.33695900
 O                  3.05989200    8.91024500    1.67000200
 H                  2.04965500    8.34253000    3.37968700
 N                  1.96468100    6.91401000    1.90505000
 C                  1.17553300    6.04209600    2.76248000
 H                  0.19699900    5.83781300    2.29403300
 H                  1.70309300    5.08415700    2.92579800
 H                  1.00252900    6.51806200    3.73980500
 C                  2.28882400    6.42259700    0.56732000
 H                  1.35873200    6.15765900    0.03357300
 H                  2.81487000    7.19581700    0.01295300
 H                  2.93018400    5.52496500    0.63678800

-Cu -Ag -Au  -I
SDD
****
-C -H -P -F -S -O -N -Br
6-31+G(d,p)
****

-Cu -Ag -Au -I
SDD



