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

Direct TS

1 1
 P                 -0.56442700   -0.25557100   -3.67533800
 Au                -0.50318700    0.28562500   -1.38744600
 C                 -2.10891500   -1.06613700   -4.25222400
 H                 -2.95715300   -0.39632700   -4.08372400
 H                 -2.03945800   -1.30406300   -5.31896700
 H                 -2.27074200   -1.98705400   -3.68470700
 C                  0.77152900   -1.41357700   -4.17759000
 H                  0.66991900   -2.34960500   -3.62078400
 H                  0.71643500   -1.62015400   -5.25140800
 H                  1.74301400   -0.97003100   -3.94105900
 C                 -0.36191500    1.18392600   -4.79932100
 H                  0.58670900    1.68372300   -4.58329400
 H                 -0.37076300    0.85619700   -5.84408600
 H                 -1.17792200    1.89306300   -4.63355800
 C                 -0.36009200    0.76335400    0.62593100
 C                 -0.29420500   -0.38620300    1.61655700
 H                 -0.50688500   -1.33188000    1.11495300
 C                 -0.13553500    2.02511200    1.04647800
 H                 -0.15469700    2.86184200    0.35258000
 H                  0.05469600    2.30190200    2.08497700
 C                 -1.06901100   -0.36196700    2.92087100
 C                 -1.99631600    0.64159900    3.22909400
 C                 -0.88810000   -1.42434100    3.82428700
 C                 -2.70584300    0.59836000    4.43363100
 H                 -2.17911400    1.44603600    2.52708700
 C                 -1.58873400   -1.45982000    5.02713600
 H                 -0.18448400   -2.21731300    3.58554300
 C                 -2.49849500   -0.44295900    5.33791700
 H                 -3.42173500    1.38313600    4.65923000
 H                 -1.42999400   -2.28139900    5.71942100
 H                 -3.04695800   -0.47063200    6.27491200
 C                  3.21540570    0.72825717    1.70982103
 C                  3.12976322   -0.04732701    0.52260774
 N                  2.24933522    0.29914699    2.55239774
 H                  3.93367370    1.48514717    1.98761103
 N                  1.51857122   -0.73058201    2.00382774
 O                  2.13111822   -0.98082201    0.76698774
 O                  3.76946222   -0.01205201   -0.49176126
 C                  1.99093722    0.71696599    3.94212674
 H                  2.10818422   -0.15850201    4.58088174
 H                  2.71816122    1.48708299    4.19105974
 H                  0.97535922    1.10017899    4.02015474

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

Au 0
SDD


