%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                 -1.88223370   -0.08221672   -2.99115917
 Au                -0.70238723    0.02677945   -0.97031695
 C                 -3.37149774    0.98740506   -3.07617923
 H                 -3.08322521    2.02889656   -2.90871189
 H                 -3.84548999    0.89341632   -4.05882922
 H                 -4.08131769    0.68909551   -2.29959200
 C                 -2.48550315   -1.76330072   -3.41294335
 H                 -3.17147860   -2.10966869   -2.63487675
 H                 -3.00480082   -1.74748609   -4.37674748
 H                 -1.63735341   -2.45177486   -3.46646792
 C                 -0.85762565    0.42582339   -4.42689427
 H                  0.02380248   -0.21825405   -4.49102146
 H                 -1.43620606    0.34700825   -5.35301740
 H                 -0.52771370    1.45968125   -4.28989263
 C                  0.50223131    0.06648293    0.78310054
 C                 -0.49407897    0.03618840    1.79901269
 H                 -1.00940840   -0.90744549    1.97654665
 C                  1.84044819    0.00219074    0.81171411
 H                  2.32580724   -0.06450302    1.78745682
 H                 -1.15171838    0.89811355    1.89533209
 C                  2.76815077   -0.02461783   -0.33418041
 C                  3.95703579   -0.76831192   -0.22525095
 C                  2.52670858    0.67218093   -1.53285337
 C                  4.84678515   -0.85861961   -1.29580130
 H                  4.17291627   -1.29419874    0.70180699
 C                  3.41686645    0.58356019   -2.60355822
 H                  1.65086875    1.31008451   -1.61238400
 C                  4.57657737   -0.18892090   -2.49293370
 H                  5.75270948   -1.44988083   -1.19470310
 H                  3.21216450    1.13280693   -3.51867936
 H                  5.27170655   -0.25422074   -3.32516420
 C                 -0.68048975    0.62930525    5.65156181
 C                 -0.89770759   -0.79561440    5.61826225
 N                 -0.04049151    0.95488884    4.54404932
 H                 -0.96296477    1.34563110    6.40552044
 N                  0.27352970   -0.08943609    3.77855073
 O                 -0.29763927   -1.17806222    4.38759593
 O                 -1.42305133   -1.59463269    6.34897809
 C                  0.35612648    2.29784205    4.09614069
 H                 -0.29619953    2.57730104    3.26612210
 H                  0.23097818    2.98362138    4.93179665
 H                  1.39911366    2.26327898    3.78195647

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

Au 0
SDD



