%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                 -0.17768785   -0.61657084   -3.75073058
 Au                -0.08737642    0.33029852   -1.59797339
 C                 -1.83839395   -0.55169485   -4.53330501
 H                 -2.15301811    0.49107994   -4.63266604
 H                 -1.81270753   -1.02088348   -5.52227924
 H                 -2.55942091   -1.07697553   -3.90055410
 C                  0.28294371   -2.39453252   -3.80833178
 H                 -0.40046822   -2.96882778   -3.17620973
 H                  0.22862856   -2.76848804   -4.83606733
 H                  1.30131783   -2.52030461   -3.42944738
 C                  0.93606655    0.17933142   -4.97634845
 H                  1.97056808    0.10843619   -4.62831304
 H                  0.84597135   -0.31271782   -5.95040637
 H                  0.67153591    1.23584452   -5.07710240
 C                 -0.00585975    1.17331275    0.30480304
 C                 -0.00353369    0.18522015    1.40611412
 H                  0.43828473   -0.76838458    1.11972442
 C                  0.02992308    2.50596338    0.49944253
 H                 -0.03756262    3.20412961   -0.33059081
 H                  0.11461774    2.96617162    1.48440230
 C                 -1.18801443   -0.00968000    2.28024962
 C                 -2.13035166    1.00696349    2.51330579
 C                 -1.35611677   -1.25074647    2.92444850
 C                 -3.20752301    0.78735493    3.37115887
 H                 -2.02826533    1.96017618    2.00732988
 C                 -2.43172079   -1.46817325    3.78071481
 H                 -0.63652640   -2.04708662    2.74898158
 C                 -3.36057641   -0.44664241    4.00782011
 H                 -3.93010102    1.58049498    3.53950309
 H                 -2.54948875   -2.43170106    4.26779510
 H                 -4.20225057   -0.61529911    4.67339174
 N                  1.44701954   -0.37298950    3.76114671
 C                  0.31273078   -0.50016259    4.67618500
 H                 -0.56645370   -0.80183426    4.09965753
 H                  0.54380343   -1.25711991    5.42575869
 H                  0.13932768    0.46306993    5.15845100
 C                  1.50489399    0.57581131    2.69762807
 H                  1.26021045    1.59912330    2.95774531
 C                  2.78670940    0.32312876    2.04532936
 O                  3.39538189    0.82335543    1.15163984
 O                  3.29404873   -0.90467919    2.69962237
 C                  2.44741757   -1.20421357    3.65719250
 H                  2.61390246   -2.06985079    4.28518538

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

Au 0
SDD


