%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

-1 1
 47       4.039348      11.695752       1.871831
 6       1.953038      11.847728       1.708430
 6       4.022033       9.532020       1.887115
 6       3.944488      13.763434       1.842987
 6       3.830177      14.470518       3.037760
 6       4.051862      14.441394       0.630640
 6       3.835338      15.868361       3.018587
 1       3.739886      13.948590       3.986499
 6       4.056950      15.839016       0.616196
 1       4.137257      13.896146      -0.305407
 6       3.950718      16.554118       1.809349
 1       3.749534      16.416951       3.952797
 1       4.147106      16.364866      -0.330569
 1       3.957010      17.640379       1.796542
 53       6.743735      11.951831       2.082883
 9       1.371460      12.499897       2.750828
 9       1.320377      10.643690       1.663233
 9       1.537210      12.493086       0.585667
 9       3.277363       8.986313       2.912612
 9       3.481561       8.974485       0.746227
 9       5.232537       8.888384       2.005393

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

-Cu -Ag -Au -I
SDD



