%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                  0.11807121   -0.05141641   -3.21050723
 Au                -0.10036802    0.19196003   -0.87373097
 C                 -1.48282826    0.02875101   -4.10549837
 H                 -1.96189257    0.99233225   -3.91034065
 H                 -1.31892651   -0.08475674   -5.18192137
 H                 -2.14067049   -0.76975886   -3.75062429
 C                  0.86460682   -1.64585684   -3.73196835
 H                  0.25238209   -2.47367867   -3.36369551
 H                  0.92439257   -1.69568811   -4.82406352
 H                  1.86911892   -1.73455594   -3.30868885
 C                  1.16187613    1.23295242   -4.00491001
 H                  2.17060953    1.19564058   -3.58397104
 H                  1.21184349    1.06383369   -5.08553507
 H                  0.73570529    2.22122982   -3.81065206
 C                 -0.37149054    0.47946561    1.13779134
 C                 -1.46021414   -0.28291265    1.86349761
 H                 -1.71571081   -1.15497571    1.25564121
 C                  0.46419351    1.30262522    1.91142984
 H                  1.33974195    1.74981859    1.44763091
 H                  0.01623699    1.94220355    2.67109209
 C                  1.09764344   -0.09772111    3.30592330
 C                  0.32325679    0.55230530    4.41662225
 N                  0.44430504   -1.26923177    3.09382473
 H                  2.17608130   -0.03678904    3.23132612
 O                 -0.94286775    0.04139001    4.30795517
 O                  0.65134617    1.36635637    5.23365922
 C                  0.85199678   -2.20576061    2.06631914
 H                  0.74037726   -1.74596612    1.06665336
 H                  1.90084910   -2.46723573    2.21563582
 H                  0.23562926   -3.10443105    2.12671798
 C                 -0.96676387   -0.90178589    3.23174201
 H                 -1.59606767   -1.74303661    3.52070059
 H                 -2.35331699    0.30249447    1.93106848

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

Au
SDD



