%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS

1 1
 P                  0.14301538   -0.07388181   -3.18166872
 Au                -0.12052242    0.21654460   -0.85462060
 C                 -1.44007674   -0.28427507   -4.08588698
 H                 -2.06863828    0.59670431   -3.92835885
 H                 -1.25135933   -0.40994922   -5.15692868
 H                 -1.96520438   -1.16388645   -3.70302572
 C                  1.14553080   -1.54517615   -3.63189984
 H                  0.66461556   -2.44710846   -3.24254005
 H                  1.23884307   -1.62412883   -4.71993524
 H                  2.14105552   -1.45669565   -3.18768438
 C                  0.97605273    1.33643787   -4.01054595
 H                  1.97438703    1.47143778   -3.58481479
 H                  1.06103165    1.14883899   -5.08568803
 H                  0.39699570    2.24954241   -3.84599185
 C                 -0.40726704    0.55529540    1.14929993
 C                 -1.51024383   -0.15079218    1.87318587
 H                 -1.86127372   -0.99127937    1.27023337
 C                  0.49900744    1.30633510    1.92459972
 H                  1.38828960    1.70879126    1.44676501
 H                  0.11309884    1.94623841    2.71758692
 C                  1.11729328   -0.14669234    3.23132085
 C                  0.38864965    0.46786221    4.38439957
 N                  0.39676640   -1.27052639    2.98390525
 H                  2.19849949   -0.16102322    3.17136126
 N                 -0.96499330   -0.93935774    3.17233834
 O                 -0.89999927   -0.00438128    4.26546629
 O                  0.74001355    1.21449890    5.25258558
 C                  0.68093017   -2.22534757    1.93786401
 H                  0.56055277   -1.74514874    0.94923134
 H                  1.71227577   -2.56286715    2.04697532
 H                 -0.00642171   -3.06640800    2.03288955
 H                 -2.36249166    0.41450977    2.18784018

-C -H -N -P -O 0
6-31G(d)
****
Au 0
SDD
****

Au
SDD



