%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 2
 29       3.850530      11.828492       1.746712
 6       1.924902      11.764349       2.003384
 9       1.288593      10.904024       1.157026
 9       1.557140      11.377730       3.259436
 9       1.326525      12.975912       1.806303
 8       5.783502      11.765943       1.454660
 6       6.599550      12.675690       1.792912
 1       6.246530      13.635491       2.177943
 7       7.900502      12.529293       1.703633
 6       8.808507      13.612567       2.062365
 6       8.512444      11.298479       1.218063
 1       9.482803      13.272688       2.852378
 1       9.396349      13.896953       1.185474
 1       8.243136      14.476052       2.414487
 1       9.255539      10.963444       1.945714
 1       7.752058      10.530192       1.090238
 1       9.006620      11.490582       0.261583

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

-Cu -Ag -Au -I
SDD



