%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                  0.06274319   -0.07993031   -3.23146826
 Au                -0.19503248    0.08133662   -0.89154947
 C                 -0.50880192   -1.67800239   -3.93187355
 H                 -1.57121031   -1.81372354   -3.71040804
 H                 -0.35862581   -1.69264362   -5.01624460
 H                  0.05267871   -2.49832191   -3.47593356
 C                  1.80320541    0.08321219   -3.79424711
 H                  2.40901005   -0.70480357   -3.33752582
 H                  1.85998058    0.00019748   -4.88438961
 H                  2.19655551    1.05483649   -3.48244630
 C                 -0.85861911    1.19722009   -4.17536061
 H                 -0.51386233    2.19186736   -3.87874021
 H                 -0.70044264    1.06224837   -5.25033434
 H                 -1.92597459    1.11412372   -3.95176655
 C                 -0.50255018    0.21999255    1.13547710
 C                 -0.69879601   -1.05627609    1.92771549
 H                 -0.24191284   -1.86323162    1.34944196
 C                 -0.43931019    1.44043856    1.82625064
 H                 -0.15098736    2.32991658    1.27014767
 H                 -1.15702063    1.65443134    2.61426569
 N                  1.32943769   -0.23722803    3.15491043
 C                  2.27926224   -0.51131554    2.09768497
 H                  1.82198466   -0.32187504    1.10800563
 H                  3.14966840    0.13672597    2.21612850
 H                  2.58606696   -1.55716213    2.15539620
 C                  0.12899782   -1.05844855    3.30676308
 H                  0.34345616   -2.08763426    3.59181626
 C                 -0.55888525   -0.30584143    4.43578524
 O                 -1.38683852   -0.64812864    5.22406198
 O                 -0.04100340    0.99105945    4.40515474
 C                  0.85460138    1.02566000    3.35097013
 H                  1.50772179    1.89006061    3.31830094
 H                 -1.71862211   -1.34433724    2.07561916

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

Au
SDD



