%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
 Cu                 3.22220300   11.85435000    1.96963700
 C                  3.59989700    9.96998300    1.80837700
 I                  2.90423300   14.32924800    2.20079800
 F                  3.13001100    9.17056800    2.83498100
 F                  3.09800500    9.32658800    0.67905600
 F                  4.94521800    9.64468900    1.76159200
 C                 -2.10759300   11.23772700    1.83836300
 H                 -2.29047000   12.30741200    1.68198300
 H                 -2.49460600   10.65432300    0.98624300
 H                 -2.57229800   10.90214900    2.77280900
 C                  0.01556200   11.48557300    0.66509100
 H                 -0.21671600   12.54912300    0.53473200
 H                  1.09901800   11.33655200    0.75178700
 H                 -0.38296200   10.89524300   -0.17797400
 C                 -0.08811200   11.77609100    3.10160700
 H                 -0.58215300   11.41997100    4.01469100
 H                  0.98963400   11.59248900    3.15102800
 H                 -0.29394600   12.84643000    2.94778600
 C                 -0.35518400    9.54654500    2.12434900
 H                 -0.79899400    8.98605400    1.28111400
 H                  0.72689400    9.40167600    2.14685700
 H                 -0.80748400    9.23208700    3.07517500
 N                 -0.63465700   11.01273700    1.92851900

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

-Cu -Ag -Au -I
SDD



