%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
 C                  2.69910900   14.00902300    1.85404600
 O                  2.33579300   12.83402600    1.92987900
 H                  3.68174300   14.28157200    1.43645700
 N                  1.98341600   15.07969900    2.24618700
 C                  2.51369900   16.42635100    2.14009500
 H                  1.85592000   17.04689500    1.52209000
 H                  2.59650700   16.88324300    3.13252900
 H                  3.50491000   16.40142800    1.68223500
 C                  0.66363900   14.93754800    2.83098000
 H                 -0.06370100   15.52303100    2.25843700
 H                  0.37466700   13.88666600    2.81512900
 H                  0.66614000   15.29730800    3.86608100

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

-Cu -Ag -Au -I
SDD



