%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS smaller step

1 1
 P                  0.23237743    0.10980255   -2.95919165
 Au                -0.43688800   -0.14575320   -0.70942796
 C                  0.24135413    1.86312396   -3.49761328
 H                  0.90255615    2.44261459   -2.84749734
 H                  0.58695686    1.93459406   -4.53345804
 H                 -0.77084755    2.26853130   -3.42153748
 C                 -0.83286025   -0.74797806   -4.18142364
 H                 -1.84584857   -0.33947928   -4.13177470
 H                 -0.42394101   -0.59503375   -5.18506623
 H                 -0.86981103   -1.81787633   -3.95944434
 C                  1.92759946   -0.51755403   -3.26693087
 H                  1.96627051   -1.58379731   -3.02776440
 H                  2.20395933   -0.36911141   -4.31629980
 H                  2.63266200    0.01216654   -2.62077921
 C                 -0.91250838   -0.28890734    1.28478327
 C                 -0.46364451   -1.41162058    2.11315245
 H                 -0.07814834   -2.25940242    1.54699057
 C                 -1.40379529    0.87164410    2.07052393
 H                 -1.65583011    1.74081511    1.46376513
 H                 -2.26474930    0.61127663    2.70691433
 N                  0.19246530    0.22146110    3.89854108
 C                 -0.52963857   -0.14838128    5.11530840
 H                  0.10856237   -0.80305153    5.71051180
 H                 -0.75125159    0.75546366    5.68626939
 H                 -1.47036306   -0.67115676    4.88811304
 C                  0.73086629   -0.76984065    3.01737114
 H                  1.23623972   -1.58258294    3.53706663
 C                  1.66628129    0.04979108    2.10391400
 O                  2.63363899   -0.39703957    1.52205820
 O                  1.23123744    1.30260413    1.99651405
 C                 -0.28570472    1.24210788    3.09469961
 H                 -0.36698471    2.23447999    3.53037192
 H                 -1.20490658   -1.76004031    2.84522695

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

Au
SDD



