%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                 -1.82153007    0.05321068   -3.02947724
 Au                -0.72080901   -0.04762846   -0.96289728
 C                 -3.36081314    1.05167972   -3.03015467
 H                 -3.13093799    2.07454900   -2.71901037
 H                 -3.80010956    1.06592845   -4.03310523
 H                 -4.07675015    0.62015595   -2.32515100
 C                 -2.31514497   -1.58619649   -3.68977581
 H                 -3.01709916   -2.06067868   -2.99836594
 H                 -2.78938527   -1.47294299   -4.67015041
 H                 -1.43037170   -2.22182246   -3.78410133
 C                 -0.77233079    0.79862921   -4.33775117
 H                  0.14457973    0.21276707   -4.44767418
 H                 -1.31107704    0.81682033   -5.29049637
 H                 -0.50468104    1.81972070   -4.05159998
 C                  0.42863686   -0.17163814    0.82070517
 C                 -0.60843011   -0.30657545    1.76771566
 H                 -1.09397511   -1.27539129    1.87711894
 C                  1.76288222   -0.23416639    0.93180917
 H                  2.16244897   -0.40291380    1.93539607
 H                 -1.26774414    0.53987159    1.96626674
 C                  2.77332602   -0.13978258   -0.13457721
 C                  3.99771573   -0.81111513    0.03659605
 C                  2.57987591    0.60176938   -1.31529712
 C                  4.97426493   -0.78607913   -0.95907039
 H                  4.17413609   -1.37120965    0.95178358
 C                  3.55688849    0.62897623   -2.31007746
 H                  1.66968707    1.18216271   -1.44066970
 C                  4.75529712   -0.07097654   -2.13992350
 H                  5.90737587   -1.32268840   -0.81174371
 H                  3.38873245    1.21091776   -3.21227814
 H                  5.51751247   -0.04613922   -2.91347377
 C                 -0.62440647    0.91732707    5.30456145
 C                 -1.33344666   -0.33087427    5.44688543
 N                  0.16014989    0.80268621    4.25054833
 H                 -0.66934521    1.80167222    5.91899720
 O                 -0.83176960   -1.10219382    4.37288460
 O                 -2.15429859   -0.75725349    6.21957224
 C                  1.09932123    1.80172138    3.72136113
 H                  0.95051119    1.88409821    2.64453929
 H                  0.89824646    2.75071423    4.21454635
 H                  2.11479169    1.46315835    3.93232333
 C                  0.10838550   -0.39248257    3.65087395
 H                  1.06568209   -0.86878488    3.69111505

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

Au 0
SDD



