%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS

1 1
 P                  0.20951963    0.10637103   -2.91675187
 Au                -0.41989106   -0.11753077   -0.65697471
 C                  0.57431313    1.83516772   -3.41653903
 H                  1.38748819    2.22804717   -2.79956265
 H                  0.86601468    1.87365026   -4.47121498
 H                 -0.31406362    2.45398390   -3.26198991
 C                 -1.06142845   -0.46783935   -4.11112278
 H                 -1.98048145    0.10812633   -3.96949810
 H                 -0.70550700   -0.33815016   -5.13829124
 H                 -1.27782039   -1.52485546   -3.93226855
 C                  1.72514135   -0.83453280   -3.35055988
 H                  1.55724593   -1.89970699   -3.16753359
 H                  1.98213370   -0.68140331   -4.40365169
 H                  2.55306633   -0.49693831   -2.72067323
 C                 -0.97400915   -0.31952997    1.31891497
 C                 -0.43511836   -1.47021134    2.11030114
 H                  0.08036323   -2.17163410    1.44649704
 C                 -1.57658390    0.73896771    2.01269854
 H                 -1.90458619    1.61150417    1.45159588
 H                 -2.13005266    0.58292486    2.93933422
 N                  0.26057901    0.19548269    3.80459443
 C                 -0.51601190   -0.01026041    5.02220905
 H                 -0.00140448   -0.74961255    5.63660791
 H                 -0.56768226    0.93678779    5.56210657
 H                 -1.52614875   -0.37159005    4.80572633
 C                  0.75249578   -0.84603154    2.95139833
 H                  1.29376473   -1.63618665    3.46445767
 C                  1.61621097   -0.03934753    1.99183807
 O                  2.50768107   -0.36420609    1.26394891
 O                  1.12159107    1.26175323    2.04978508
 C                  0.08770354    1.25012940    2.96874557
 H                 -0.20682819    2.22568294    3.33709738
 H                 -1.09141064   -2.02909178    2.74420421

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

Au
SDD



