%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
 47       3.506602      11.175196       1.887540
 6       4.628485       9.416363       1.581121
 9       3.924637       8.226766       1.709293
 9       5.215572       9.289517       0.329692
 9       5.701455       9.229150       2.441428
 6       2.715756      14.117138       2.098120
 8       2.309776      12.934873       2.210111
 1       3.750806      14.342059       1.821691
 7       1.948950      15.176639       2.301483
 6       2.472086      16.526804       2.151048
 1       1.926581      17.049524       1.359844
 1       2.350644      17.073044       3.090844
 1       3.531557      16.490203       1.892817
 6       0.549397      15.054937       2.679190
 1      -0.077688      15.530718       1.919432
 1       0.283505      14.002635       2.766578
 1       0.386920      15.554450       3.638810

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

-Cu -Ag -Au -I
SDD



