%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
 29       3.905924      11.607610       2.093071
 6       1.968515      11.812246       1.498443
 6       5.754532      11.386606       2.709665
 6       6.033032      11.268290       4.067673
 6       6.771078      11.319697       1.761831
 6       7.354923      11.077676       4.480827
 1       5.240108      11.330167       4.807559
 6       8.089473      11.124259       2.182727
 1       6.551290      11.408773       0.701593
 6       8.384099      11.004081       3.541297
 1       7.575485      10.989811       5.541420
 1       8.883201      11.064166       1.442740
 1       9.409852      10.854850       3.865862
 53       3.862845       9.040994       1.854965
 9       1.480614      13.068093       1.207175
 9       1.095540      11.360915       2.476025
 9       1.606548      11.091672       0.375763
 53       4.326557      14.081562       2.507255

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

-Cu -Ag -Au -I
SDD



