%mem=23300MB
%nproc=12
#p M06/GENecp Temperature=323 opt=(ts,noeigentest,calcfc,maxstep=3) nosymm freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=n,n-DiMethylFormamide)

Triad project-ALM

-1 1
 29       0.753192      -0.218615      -1.041527
 6      -1.278356      -0.931633       1.740956
 9      -2.042453      -1.092359       2.899483
 9      -0.687043      -2.196952       1.599971
 9      -0.210639      -0.152515       2.197868
 6      -3.917852      -0.241280       0.577273
 6      -4.797371       0.584198       1.271202
 6      -4.437914       1.884115       1.636569
 6      -3.179558       2.361550       1.257484
 6      -2.281424       1.560465       0.559300
 6      -2.615401       0.216763       0.307297
 1      -4.213009      -1.249117       0.304370
 1      -5.785962       0.202262       1.514236
 1      -5.134522       2.521910       2.171365
 1      -2.894648       3.385055       1.488401
 1      -1.312768       1.951074       0.265446
 53      -1.676109      -0.683475      -1.526470
 53       3.157773       0.254918      -0.573261

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

-Cu -Ag -Au -I
SDD



