%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                  0.38609297   -0.26726963   -3.32680237
 Au                -0.23245229    0.11972316   -1.10439980
 C                  0.02422102    1.15089684   -4.43090993
 H                  0.56646911    2.03333677   -4.08049192
 H                  0.33194131    0.91583359   -5.45507350
 H                 -1.04820507    1.36345769   -4.41189697
 C                 -0.46988978   -1.70103121   -4.08322635
 H                 -1.54974942   -1.53047669   -4.06600779
 H                 -0.13832711   -1.83342418   -5.11826133
 H                 -0.24453348   -2.60380453   -3.50921422
 C                  2.17749389   -0.59976200   -3.53717208
 H                  2.45179973   -1.49801272   -2.97707177
 H                  2.40734764   -0.74577138   -4.59770453
 H                  2.75200682    0.24736395   -3.15278637
 C                 -1.10062941    0.56456784    0.84782213
 C                  0.11520597    0.28859881    1.42744560
 H                  0.91108420    1.03029974    1.44093610
 C                 -2.35833928    0.93928333    1.01045340
 H                 -3.05076810    1.04376502    0.18173298
 H                 -2.73599245    1.16518766    2.00796918
 N                 -0.51507054   -0.53290611    4.43466879
 C                 -1.94020164   -0.83738576    4.54844619
 H                 -2.37861603   -0.86957908    3.54844895
 H                 -2.06244238   -1.80296681    5.04021897
 H                 -2.42512252   -0.05829272    5.13998292
 C                  0.00772910    0.64685300    3.88609189
 H                 -0.60067589    1.53089343    3.79126033
 C                  1.41094956    0.58191427    3.97664969
 O                  2.36260030    1.26682468    3.67140056
 O                  1.64702160   -0.79644304    4.51680451
 H                  0.40510930   -0.73991855    1.63146259
 N                  0.47289898   -1.33332816    4.75917016

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

Au
SDD



