%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                 -0.56667423   -0.15714065   -3.69046220
 Au                -0.20112493    0.16538844   -1.38163895
 C                  0.52395065    0.82728400   -4.78929067
 H                  1.56768943    0.53565590   -4.63854158
 H                  0.24744287    0.64079761   -5.83213909
 H                  0.41964159    1.89246153   -4.56515634
 C                 -2.27207517    0.29798186   -4.20814326
 H                 -2.46585111    1.35295762   -3.99044145
 H                 -2.38922731    0.11405036   -5.28113185
 H                 -2.98371507   -0.31587833   -3.65288125
 C                 -0.36639839   -1.87844113   -4.28241679
 H                 -1.07118748   -2.52905938   -3.75642337
 H                 -0.57182207   -1.91520393   -5.35857788
 H                  0.64721126   -2.23797157   -4.08712599
 C                 -0.03766890    0.52732999    0.66142449
 C                 -0.15804992   -0.57653525    1.63503686
 H                 -0.43587800   -1.51143793    1.14085783
 C                  0.44225050    1.77318896    1.13525112
 H                  0.64514585    2.56371002    0.42026909
 H                  0.22459489    2.14281797    2.13517923
 C                 -0.94345955   -0.42777962    2.92216520
 C                 -1.79263535    0.66383219    3.14461020
 C                 -0.85704043   -1.42403394    3.90697242
 C                 -2.48322182    0.79210460    4.35160985
 H                 -1.93309378    1.41193075    2.37169867
 C                 -1.54157432   -1.29377049    5.11323704
 H                 -0.25825368   -2.31523617    3.73527712
 C                 -2.34189092   -0.17307447    5.34908777
 H                 -3.13205716    1.64904421    4.50643408
 H                 -1.45261042   -2.07166636    5.86607645
 H                 -2.87294479   -0.06959756    6.29060619
 N                  2.01308191    0.32811205    2.60504303
 C                  1.78592296    0.82053038    3.95821810
 H                  1.95598808   -0.02296521    4.62856197
 H                  2.50512368    1.61659381    4.15497103
 H                  0.75932813    1.18475544    4.08650430
 C                  1.48213953   -0.85857851    2.03199073
 H                  1.56670519   -1.74760151    2.64554457
 C                  2.26183914   -0.89859135    0.73791578
 O                  2.49680656   -1.77716417   -0.04052290
 O                  2.69588156    0.41485367    0.53965585
 N                  2.22444945    1.21375458    1.63606717

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

Au 0
SDD



