%nprocshared=8
%mem=22GB
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=(xqc,maxcyc=512)

Direct TS

1 1
 P                  0.11731611   -0.44128417   -3.60768493
 Au                -0.03977247    0.09317667   -1.32504507
 C                 -1.47320681   -0.32470064   -4.52135965
 H                 -1.85461144    0.69864225   -4.46111090
 H                 -1.33116820   -0.59885793   -5.57192841
 H                 -2.20488268   -0.99868216   -4.06656468
 C                  0.70677996   -2.14829027   -3.94710045
 H                  0.02193102   -2.86797455   -3.48951224
 H                  0.75458949   -2.32680751   -5.02636812
 H                  1.70080094   -2.28522620   -3.51171985
 C                  1.26730255    0.63053745   -4.56009380
 H                  2.27324809    0.55099745   -4.13773006
 H                  1.29025377    0.32737596   -5.61210958
 H                  0.93872769    1.67142413   -4.48927651
 C                 -0.17200287    0.54168674    0.70730496
 C                  0.78804762   -0.05300841    1.75499350
 H                  1.67534277   -0.50147482    1.30787032
 C                 -1.49087150    0.91981713    1.30225338
 H                 -2.42014083    0.42695672    1.04199689
 C                  0.39564323   -0.75398368    3.02310569
 C                 -0.77261033   -1.52196106    3.10839951
 C                  1.26742383   -0.72944085    4.12372405
 C                 -1.07882268   -2.22641240    4.27523440
 H                 -1.44190802   -1.57368959    2.25524262
 C                  0.96281642   -1.43018900    5.29157427
 H                  2.18746013   -0.15295989    4.06215498
 C                 -0.21553983   -2.17838670    5.37195140
 H                 -1.99117414   -2.81435985    4.32466489
 H                  1.64560451   -1.39439832    6.13595761
 H                 -0.45481438   -2.72408814    6.28030435
 N                 -0.01576830    2.37948658    2.33260375
 C                  0.48623272    2.80438703    3.68690462
 H                  1.52888646    3.10649509    3.58543449
 H                 -0.12135752    3.64316652    4.02859600
 H                  0.39579259    1.96126403    4.36666072
 C                  0.79365107    1.42990434    1.48567198
 H                  1.66512319    1.91641734    1.06502890
 C                 -1.42136277    1.90899625    2.19046766
 H                 -2.16714083    2.39529389    2.80323996
 H                 -0.85878500    2.92864987    1.81658753

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

Au 0
SDD


