%mem=7800MB %nproc=4 #p wB97xd/GENecp opt nosymm freq=noraman scf=yqc scrf=(smd,solvent=n,n-DiMethylFormamide) Cluster - Equilibrium project 0 1 Ag 4.211387 11.957615 1.693154 C 2.533078 12.989110 1.032479 C 3.972382 8.619436 1.436909 C 4.287868 7.302227 1.749156 H 3.761235 6.592324 1.401031 C 5.373905 7.023719 2.570763 C 6.144454 8.062401 3.080129 C 5.828980 9.379610 2.767895 N 4.742958 9.658157 1.946289 C 7.264902 7.889235 4.001498 H 7.513013 7.012425 4.270104 C 7.951382 8.938085 4.477063 H 8.642962 8.784822 5.110089 C 6.543432 10.474092 3.255173 C 7.670766 10.316011 4.052812 C 8.379684 11.431522 4.483109 C 7.961266 12.705133 4.115775 H 8.445779 13.467539 4.409862 C 6.833932 12.863234 3.318136 N 6.125016 11.747723 2.887832 C 2.783416 9.057367 0.614669 H 1.979448 9.053418 1.175032 H 2.660857 8.440365 -0.136802 H 2.938538 9.962412 0.272294 C 5.631312 5.573289 2.879174 C 4.535794 4.779350 3.197876 H 3.661358 5.150542 3.188451 C 4.719683 3.442297 3.530360 H 3.970935 2.899676 3.748180 C 5.999101 2.899163 3.544157 H 6.124775 1.985350 3.771395 C 7.094632 3.693082 3.225462 H 7.969052 3.321870 3.234887 C 6.910761 5.030155 2.892970 H 7.659510 5.572756 2.675150 C 9.677642 11.374201 5.310924 C 10.692546 10.473993 5.008144 H 10.562217 9.821806 4.329780 C 11.898113 10.528016 5.697897 H 12.591741 9.912753 5.490952 C 12.088789 11.482247 6.690437 H 12.912747 11.519171 7.161856 C 11.073910 12.382475 6.993238 H 11.204239 13.034662 7.671602 C 9.868325 12.328472 6.303493 H 9.174695 12.943735 6.510444 C 6.333485 14.219716 2.989558 H 6.874487 14.601373 2.267025 H 6.396798 14.792211 3.782439 H 5.398379 14.162139 2.702046 F 1.394738 12.261831 0.912500 F 2.604637 13.602577 -0.218249 F 2.124409 14.045365 1.855888 Ag SDD **** -C -H -N -P -F -S -O -Br 6-31G(d) **** Ag SDD