%nprocshared=36
%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                  0.20573530    0.11645610   -3.25580778
 Au                -0.23377416   -0.11349171   -0.96910581
 C                 -1.27082451   -0.08592913   -4.32990502
 H                 -2.02326960    0.65927134   -4.05651851
 H                 -0.99760910    0.04180900   -5.38254644
 H                 -1.69506846   -1.08323431   -4.18236705
 C                  1.42381562   -1.09180566   -3.91114555
 H                  1.04917238   -2.10765974   -3.75706700
 H                  1.59099580   -0.92344884   -4.98014988
 H                  2.36937675   -0.98115988   -3.37292457
 C                  0.88964114    1.75686771   -3.71815652
 H                  1.82709615    1.92415994   -3.18030414
 H                  1.07413456    1.80261024   -4.79651589
 H                  0.17984074    2.53973079   -3.43662785
 C                 -0.57635329   -0.22582413    1.09789342
 C                  0.25337850   -1.02794482    1.91356516
 H                  0.81873430   -1.84368025    1.47846619
 N                 -0.83981205   -0.16320144    3.91645257
 C                 -1.01705593   -0.23103911    5.36202575
 H                 -0.17288556    0.24695966    5.86607169
 H                 -1.94721377    0.26981856    5.63998964
 H                 -1.07950210   -1.27980508    5.67644386
 C                  0.39256684   -0.74728091    3.38022167
 H                  0.61237568   -1.66070120    3.94295500
 C                  1.65440585    0.20753816    3.46556951
 O                  1.73183091    0.96995507    4.44468712
 O                  2.43752988    0.04364218    2.49074235
 C                 -1.53140620    0.70927640    3.14458042
 H                 -2.25688976    1.32682885    3.66776739
 H                 -1.03459648   -1.36998439    1.25555668
 C                 -1.39171816    0.77357028    1.78387010
 H                 -2.37450153    0.71374995    1.36499258
 H                 -0.99296169    1.75279840    1.61953642

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

Au
SDD



