%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                 -1.72924027   -0.05809943   -3.02776051
 Au                -0.68233864    0.00007751   -0.93292554
 C                 -3.24637932    0.96619761   -3.16315327
 H                 -3.00530539    2.00803966   -2.93446267
 H                 -3.65456329    0.90015876   -4.17711988
 H                 -3.99256068    0.61177641   -2.44655041
 C                 -2.24651714   -1.73753090   -3.55673493
 H                 -2.96734561   -2.13924474   -2.83913265
 H                 -2.70486389   -1.69619442   -4.55023789
 H                 -1.37338541   -2.39562324   -3.58457317
 C                 -0.63517177    0.54457140   -4.37277487
 H                  0.27028051   -0.06766526   -4.40721407
 H                 -1.15173096    0.48788090   -5.33642624
 H                 -0.35039859    1.58144906   -4.17212003
 C                  0.40836383    0.00153387    0.89396283
 C                 -0.64778543   -0.10485058    1.84204540
 H                 -1.14026017   -1.07128568    1.94692378
 C                  1.74360477   -0.02125561    1.00526815
 H                  2.16911315   -0.11500012    2.00639246
 H                 -1.33956124    0.73064264    1.93193032
 C                  2.74141075    0.03159986   -0.07917390
 C                  3.94617552   -0.67786593    0.07443037
 C                  2.55133065    0.77204035   -1.26080715
 C                  4.90361645   -0.69291751   -0.93995012
 H                  4.12180791   -1.23659530    0.99071225
 C                  3.50913038    0.75869302   -2.27524546
 H                  1.66063492    1.38456527   -1.36950801
 C                  4.68568486    0.01947832   -2.12301080
 H                  5.82136083   -1.25885136   -0.80588412
 H                  3.34309512    1.34058308   -3.17794021
 H                  5.43325815    0.01278433   -2.91115142
 C                  0.06497559   -0.02567673    3.82771120
 C                 -0.49680777   -1.21000392    4.42809195
 N                 -0.40676667    1.01279342    4.49195913
 H                  1.11625345   -0.14818915    3.62479733
 N                 -1.28594634    0.68979534    5.43954940
 O                 -1.31487990   -0.68164786    5.46370085
 O                 -0.40277004   -2.39304805    4.22827856
 C                 -0.08274601    2.43250034    4.28973603
 H                  0.54276997    2.75278069    5.12562339
 H                  0.45540051    2.52570194    3.34846666
 H                 -1.01376418    2.99801886    4.25623198

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

Au 0
SDD



