%nprocshared=8
%mem=22GB
#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                 -0.65619360   -0.25628111   -3.60438329
 Au                -0.25681368    0.25828315   -1.35098784
 C                 -2.40709174   -0.02523714   -4.10563721
 H                 -2.67509563    1.02809705   -3.99047796
 H                 -2.54306127   -0.32429180   -5.14967469
 H                 -3.05519365   -0.62678767   -3.46235788
 C                 -0.25962833   -2.00646561   -3.99079907
 H                 -0.85430379   -2.66278435   -3.34982229
 H                 -0.47273516   -2.22480458   -5.04254826
 H                  0.79964727   -2.19009265   -3.79112510
 C                  0.30259146    0.72295128   -4.82425450
 H                  1.37231395    0.62646319   -4.61893746
 H                  0.08825962    0.35791062   -5.83376163
 H                  0.02162648    1.77712410   -4.74997044
 C                  0.04842207    0.62317047    0.68909604
 C                 -0.19105911   -0.49167764    1.64865526
 H                 -0.58122727   -1.37071977    1.13570064
 C                  0.72395665    1.76402810    1.13322603
 H                  0.98482490    2.53435963    0.41174166
 H                  0.69418642    2.11312499    2.16642286
 C                 -0.93286000   -0.29368190    2.95004306
 C                 -1.62347505    0.88787719    3.24493223
 C                 -1.00814025   -1.37156859    3.84615931
 C                 -2.35374371    1.00032502    4.43123039
 H                 -1.61329126    1.71511976    2.54241086
 C                 -1.73236484   -1.25631001    5.03044596
 H                 -0.49091842   -2.29791070    3.61399283
 C                 -2.40551290   -0.06751953    5.32822954
 H                 -2.88409796    1.92287413    4.64817454
 H                 -1.77599549   -2.09556763    5.71868075
 H                 -2.97153831    0.02055643    6.25100588
 C                  2.51146523    0.72686419    1.52122456
 C                  2.63177854   -0.20930449    0.35917830
 N                  2.10318115   -0.05007958    2.53827003
 H                  3.20205418    1.54690951    1.67073328
 N                  1.30841475   -1.07659074    2.03927352
 O                  1.93398095   -1.34127642    0.74816347
 O                  3.19995806   -0.11290666   -0.69311255
 C                  2.01529671    0.31533633    3.94936268
 H                  1.93529063   -0.59850566    4.53638557
 H                  2.93361158    0.84246566    4.20975411
 H                  1.14633647    0.95373827    4.12769372

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

Au 0
SDD



