%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       0.730603      -0.250158      -1.052550
 6      -1.263811      -0.929555       1.719648
 9      -2.009831      -1.058949       2.893597
 9      -0.692896      -2.205628       1.591663
 9      -0.177941      -0.157581       2.144003
 6      -3.921280      -0.246505       0.593732
 6      -4.785981       0.591540       1.291466
 6      -4.417513       1.896257       1.629891
 6      -3.165240       2.364907       1.221194
 6      -2.281814       1.551268       0.518637
 6      -2.624033       0.205413       0.291949
 1      -4.223234      -1.257943       0.342669
 1      -5.770248       0.215579       1.560017
 1      -5.102714       2.543828       2.167646
 1      -2.873446       3.390945       1.431351
 1      -1.318084       1.934937       0.200592
 53      -1.719300      -0.717822      -1.552306
 6       2.541195       0.140333      -0.496000
 9       3.088715      -0.744371       0.431029
 9       3.517866       0.168807      -1.490492
 9       2.718969       1.373874       0.129694

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

-Cu -Ag -Au -I
SDD



