%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                 -0.29014405    0.14438620   -4.43304111
 Au                 0.30326526    0.39253006   -2.18218596
 C                  1.10740160    0.39088764   -5.59577882
 H                  1.89395645   -0.33722721   -5.37919075
 H                  0.76689806    0.26377125   -6.62869850
 H                  1.51436799    1.39780293   -5.46757199
 C                 -1.58428192    1.32029239   -4.98913420
 H                 -1.22398608    2.34475135   -4.86054580
 H                 -1.82326299    1.14807788   -6.04352401
 H                 -2.48484456    1.18429464   -4.38377083
 C                 -0.95338823   -1.51996363   -4.82959606
 H                 -1.85090174   -1.70466156   -4.23300113
 H                 -1.20232826   -1.58562877   -5.89384332
 H                 -0.20427839   -2.27739586   -4.58268093
 C                  0.87664747    0.72010394   -0.15480096
 C                  0.55828631   -0.54136624    0.38986104
 H                  1.20632157   -1.37237334    0.11511011
 C                  1.35323359    1.87710883    0.29900941
 H                  1.47128472    2.74713093   -0.33897324
 H                  1.66082916    1.99214863    1.33911557
 C                 -0.76280708   -0.89087013    0.90222319
 C                 -1.71325241    0.10169561    1.22155319
 C                 -1.08874969   -2.24597042    1.11359135
 C                 -2.95078917   -0.25560496    1.74447200
 H                 -1.47165505    1.14518023    1.04408049
 C                 -2.33269170   -2.59902989    1.63348542
 H                 -0.36058332   -3.01455979    0.87130477
 C                 -3.26433963   -1.60602564    1.94955403
 H                 -3.67682925    0.51409763    1.98792537
 H                 -2.57423968   -3.64553904    1.79128173
 H                 -4.23406706   -1.88130197    2.35347641
 N                  0.85030002   -0.59475954    3.57534671
 C                  1.81047941   -0.69347386    2.56184351
 H                  2.45631478    0.13387678    2.32226887
 C                  2.08090484   -2.06495018    2.36118886
 O                  2.77557307   -2.73875201    1.63335379
 O                  1.11002784   -2.73777314    3.26540755
 C                  0.45476081   -1.79969246    3.91271179
 H                 -0.30734656   -2.03843503    4.63997432
 C                  0.32806214    0.66752205    4.11831338
 C                  1.15797377    1.78559257    4.20569991
 C                 -0.99715060    0.74754552    4.54604642
 C                  0.66289041    2.98318456    4.72134286
 H                  2.20291503    1.72196137    3.86911318
 C                 -1.49281824    1.94570710    5.06095643
 H                 -1.65143889   -0.13352160    4.47707839
 C                 -0.66303052    3.06341645    5.14879236
 H                  1.31715289    3.86432469    4.79083536
 H                 -2.53784855    2.00862235    5.39774649
 H                 -1.05317939    4.00779835    5.55526871

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

Au
SDD



