%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                  0.12640539    0.03353665   -3.29066486
 Au                -0.19779994   -0.04593895   -0.94560741
 C                 -0.15220728    1.69234111   -4.02013304
 H                  0.53000546    2.41262735   -3.56007462
 H                  0.02415827    1.66194688   -5.10005724
 H                 -1.18148117    2.00770379   -3.82810754
 C                 -0.97233690   -1.09888527   -4.22642519
 H                 -2.01701686   -0.83820096   -4.03523634
 H                 -0.76660660   -1.01602413   -5.29858782
 H                 -0.79837174   -2.12818846   -3.90099556
 C                  1.83196605   -0.43324017   -3.77612302
 H                  2.04072318   -1.45165635   -3.43678971
 H                  1.94209525   -0.38013204   -4.86378061
 H                  2.54441709    0.24895564   -3.30417256
 C                 -0.36571142   -0.10435078    1.06477608
 C                 -0.02450651   -1.29372029    1.85956406
 H                  0.78546684   -1.87261732    1.40682707
 C                 -0.75957955    1.08275620    1.86519297
 H                  0.21970027    1.61147986    1.95643118
 H                 -1.42549514    1.76938297    1.33937021
 N                 -0.75472451   -0.19739126    3.92329262
 C                 -1.06642523   -0.42186893    5.34102638
 H                 -0.14673588   -0.24932058    5.90588115
 H                 -1.84232664    0.27091373    5.66553589
 H                 -1.39709922   -1.45369635    5.47143603
 C                  0.30078269   -1.01297245    3.33049044
 H                  0.38130581   -1.94192449    3.89294276
 C                  1.50626827    0.07191043    3.37104770
 O                  2.70973898    0.16739311    3.07657513
 O                  0.78159025    1.11795188    3.71310272
 H                 -0.93315662   -1.92431292    1.74163883
 C                 -1.13527452    0.84976276    3.27111845
 H                 -1.85488357    1.50777394    3.74701671

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

Au
SDD



