%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 2
 Cu                 3.09958000   11.87027200    1.74672500
 C                  4.72044500   11.23795400    2.60837500
 F                  5.78467700   12.07707000    2.61139400
 F                  5.18569200   10.07263400    2.06849900
 F                  4.48998700   10.94363800    3.92007300
 I                  4.09116400   12.30758200   -0.63463200
 C                  0.14201200   11.68256500    1.39122200
 O                  1.19442200   12.36000100    1.52251200
 H                 -0.83066000   12.20468400    1.37175900
 N                  0.08531500   10.36203600    1.26337700
 C                 -1.20048900    9.69276800    1.10951800
 H                 -1.23248800    9.17184600    0.13925900
 H                 -1.33832000    8.96471400    1.92953000
 H                 -2.01773100   10.43146000    1.13759100
 C                  1.30513300    9.54252400    1.23548200
 H                  1.03174100    8.48282100    1.19609700
 H                  1.91718200    9.78188900    0.33845600
 H                  1.90640000    9.69830900    2.15200700

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

-Cu -Ag -Au -I
SDD



