%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

0 1
 29       3.160955      11.148570       3.044082
 6       3.678667      12.091712       1.348175
 6       3.561002      12.583067       4.467276
 6       4.932729      12.672489       4.701201
 6       2.753109      13.715748       4.358707
 6       5.514383      13.939088       4.762181
 1       5.536951      11.780540       4.824307
 6       3.355575      14.970074       4.425669
 1       1.683105      13.623637       4.208887
 6       4.732750      15.086081       4.623936
 1       6.584236      14.023197       4.929022
 1       2.741089      15.859812       4.323592
 1       5.193044      16.067332       4.683973
 9       2.626812      12.282461       0.451037
 9       4.623051      11.428963       0.569322
 9       4.220609      13.366269       1.445675
 53       2.489846      10.663846       5.440488
 6       2.149469       8.332265       2.541047
 8       2.941264       9.221338       2.168256
 1       1.441948       8.506542       3.361926
 7       2.079757       7.119970       2.001108
 6       1.126657       6.131211       2.479955
 1       0.453228       5.839502       1.668213
 1       1.658808       5.243661       2.835472
 1       0.537536       6.546002       3.299529
 6       2.950875       6.715761       0.910334
 1       2.350800       6.467946       0.029042
 1       3.633384       7.529428       0.668472
 1       3.524748       5.832298       1.207171

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

-Cu -Ag -Au -I
SDD



