%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                  0.05240090    0.05663212   -2.97649324
 Au                -0.26686045   -0.02281570   -0.68924337
 C                  0.49680565    1.72869324   -3.53352310
 H                  1.39626980    2.05843287   -3.03046737
 H                  0.65925043    1.71636562   -4.60424334
 H                 -0.29663394    2.42613704   -3.29014787
 C                 -1.39653397   -0.41724119   -3.96080853
 H                 -2.21062766    0.24136955   -3.71114446
 H                 -1.16495756   -0.33697740   -5.01012730
 H                 -1.67908856   -1.43931128   -3.74970753
 C                  1.37428079   -1.03479589   -3.57480223
 H                  1.11255651   -2.07016484   -3.37085775
 H                  1.50029969   -0.90791448   -4.64369358
 H                  2.29855328   -0.78889494   -3.05971260
 C                 -0.50469982   -0.00128681    1.40307761
 C                 -1.04772202   -1.22933304    1.96715783
 H                 -1.00443341   -2.13114069    1.36222048
 C                 -0.69189078    1.26511551    2.15981731
 H                 -0.44387936    2.15033732    1.60765955
 H                 -1.64106841    1.36814031    2.56760781
 N                  0.00349483   -0.13225900    3.95247512
 C                 -1.12309762   -0.04471488    4.82208907
 H                 -1.20535003   -0.97520991    5.30860681
 H                 -0.96679258    0.73589763    5.55819074
 H                 -2.03244142    0.16160468    4.32588494
 C                  0.06791698   -1.13373112    2.96321148
 H                  0.65076541   -1.97039087    3.16049727
 C                  1.58607583   -0.21744600    1.89710403
 O                  2.44839465   -0.73673730    1.27340441
 O                  1.57573504    0.83717299    2.62082249
 C                  0.34161654    1.07786277    3.28187922
 H                  0.44319960    1.92662650    3.94893031
 H                 -1.95367054   -1.04835664    2.35577121

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

Au
SDD



