%nprocshared=24
%mem=41GB
#p opt=(ts,calcfc,noeigentest,maxstep=10) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Direct TS

1 1
 P                 -0.30176175   -0.03279494   -3.65674906
 Au                 0.23696368    0.14661139   -1.36923657
 C                 -1.56158537   -1.31778373   -4.01770419
 H                 -2.47859855   -1.09317541   -3.46564557
 H                 -1.77976043   -1.34391673   -5.09018989
 H                 -1.18829669   -2.29504036   -3.69848637
 C                  1.12674328   -0.45816472   -4.72817435
 H                  1.54364034   -1.41974808   -4.41577480
 H                  0.80860940   -0.52143007   -5.77390731
 H                  1.89886352    0.30994752   -4.62843469
 C                 -0.98540602    1.51028014   -4.37771566
 H                 -0.25781384    2.31904184   -4.26719835
 H                 -1.20774718    1.36289278   -5.43941867
 H                 -1.90174112    1.78568905   -3.84804871
 C                  0.61418179    0.35669562    0.63719178
 C                  0.06851664   -0.67218693    1.60462953
 H                 -0.01936427   -1.61054009    1.05246255
 C                  1.38078553    1.42005535    1.15320394
 H                  1.98320242    2.01235130    0.47005896
 H                  1.02201579    1.98373651    2.00854758
 C                 -1.35210819   -0.33038391    2.07933302
 C                 -1.69486088    0.91180542    2.62888938
 C                 -2.34377219   -1.30957461    1.93388790
 C                 -3.00477539    1.16303266    3.03900902
 H                 -0.95420773    1.69530255    2.74508092
 C                 -3.65379671   -1.05681616    2.34582386
 H                 -2.09065392   -2.27515710    1.50450459
 C                 -3.98791232    0.18066984    2.89890877
 H                 -3.25399284    2.13010101    3.46531976
 H                 -4.40920439   -1.82890228    2.23290641
 H                 -5.00691232    0.37994522    3.21704861
 N                  2.42755683   -0.78834179    2.36420495
 C                  2.91368782   -1.39931860    1.15451354
 H                  2.33620191   -1.00768326    0.28624534
 H                  3.96621376   -1.14940755    1.01996707
 H                  2.77427761   -2.47848349    1.22219844
 C                  1.04807860   -1.00924420    2.81426851
 H                  0.86943763   -2.02269808    3.17061404
 C                  1.02255847   -0.01054849    3.95349233
 O                  0.34003202    0.07636362    4.92842125
 O                  2.03354031    0.90800648    3.66692475
 C                  2.65173353    0.53161495    2.44881644
 H                  3.71823842    0.55943463    2.53062953

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

Au 0
SDD


