%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                  0.35933810   -0.23706659   -3.41858631
 Au                -0.24735973    0.10280782   -1.18425423
 C                 -0.33542361   -1.77321293   -4.14231746
 H                 -1.42745492   -1.73268852   -4.10343467
 H                 -0.01097670   -1.87993333   -5.18258493
 H                  0.00684698   -2.63508115   -3.56268403
 C                  2.17327256   -0.37176786   -3.65985249
 H                  2.55657588   -1.20972903   -3.07109051
 H                  2.40387326   -0.53273615   -4.71807352
 H                  2.65404873    0.54884075   -3.31777429
 C                 -0.17430582    1.10717173   -4.54628908
 H                  0.27215138    2.05191349   -4.22413449
 H                  0.14024449    0.88530261   -5.57133852
 H                 -1.26320813    1.20204809   -4.51206115
 C                 -0.90978642    0.44951326    0.82025928
 C                  0.15032463   -0.18315053    1.49027648
 H                  1.10267657    0.34510851    1.52250171
 C                 -2.04273672    1.07418299    1.12801076
 H                 -2.72349021    1.45161728    0.37175386
 H                 -2.32538956    1.24690386    2.16739898
 N                 -0.55766829   -0.40852629    4.62377539
 C                 -1.98952738   -0.67847012    4.73586663
 H                 -2.40353615   -0.82059366    3.73611976
 H                 -2.13773126   -1.58187978    5.32776608
 H                 -2.47546815    0.16935565    5.22274403
 C                 -0.00013205    0.65570945    3.90833141
 H                 -0.58828696    1.50946576    3.61850064
 C                  1.39933942    0.58806760    4.05373307
 O                  2.37083725    1.19210116    3.65168731
 O                  1.59634203   -0.65799107    4.84462530
 C                  0.40783838   -1.15198436    5.11222377
 H                  0.28546103   -2.06450207    5.67726171
 H                  0.17807681   -1.22878327    1.71562510

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

Au
SDD



