%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                 -0.30226200   -0.04423737   -4.40063011
 Au                -0.22698771    0.20593342   -2.05960636
 C                 -1.93783649   -0.56416810   -5.05342282
 H                 -2.69113470    0.18362087   -4.78974857
 H                 -1.89614026   -0.66995640   -6.14228208
 H                 -2.22070876   -1.52099327   -4.60553431
 C                  0.87672435   -1.29901163   -5.03866648
 H                  0.64736838   -2.27219093   -4.59558856
 H                  0.80550966   -1.36833157   -6.12911888
 H                  1.89513378   -1.01691067   -4.75706607
 C                  0.10525652    1.49034157   -5.32226080
 H                  1.11112222    1.82124437   -5.04818203
 H                  0.06237464    1.31087166   -6.40142345
 H                 -0.60774423    2.27569787   -5.05562623
 C                 -0.15332967    0.42945637   -0.01221249
 C                 -0.54922961   -0.71425790    0.87732190
 H                 -0.98166274   -1.51797389    0.27279953
 C                  0.50357467    1.52448655    0.57025213
 H                  0.87201492    2.32129567   -0.07177310
 H                  0.31702491    1.83518287    1.59872029
 C                 -1.47124986   -0.46787091    2.07087273
 C                 -2.14267695    0.74832580    2.25762092
 C                 -1.71604012   -1.51185918    2.97765365
 C                 -2.99939535    0.93063901    3.34655842
 H                 -2.01171713    1.55847273    1.54845587
 C                 -2.56911346   -1.33012229    4.06623103
 H                 -1.25099843   -2.48369206    2.83423824
 C                 -3.20749413   -0.10257956    4.26089451
 H                 -3.50690245    1.88270610    3.47256806
 H                 -2.73821417   -2.15041270    4.75778400
 H                 -3.87119394    0.04079359    5.10847242
 C                  2.14452464    0.44669483    1.15712108
 C                  2.42641101   -0.45636420   -0.01617024
 N                  1.63032736   -0.36906387    2.10142860
 H                  2.80663194    1.26553500    1.41146606
 O                  1.67488158   -1.58035171    0.20644095
 O                  3.14754096   -0.29923315   -0.96207658
 C                  0.86936127   -1.34276250    1.36624260
 H                  0.72516020   -2.27409432    1.90736041
 C                  1.34956529    0.01386206    3.49262966
 C                  1.19579537   -0.97027802    4.46950967
 C                  1.23699535    1.36104195    3.83611544
 C                  0.92884809   -0.60725160    5.78942357
 H                  1.28383940   -2.03230654    4.19824327
 C                  0.97094696    1.72438023    5.15657499
 H                  1.35833791    2.13683379    3.06634142
 C                  0.81673162    0.74051525    6.13318358
 H                  0.80701022   -1.38292643    6.55934604
 H                  0.88265186    2.78666519    5.42718331
 H                  0.60630704    1.02650926    7.17396466

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

Au
SDD



