%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                  0.12138046   -0.06827572   -3.21696345
 Au                -0.10127677    0.20044277   -0.88464942
 C                 -1.33737229   -0.84276336   -4.01759712
 H                 -2.22126838   -0.22210615   -3.84592250
 H                 -1.16728329   -0.94368424   -5.09436788
 H                 -1.51049395   -1.83117702   -3.58266060
 C                  1.53954765   -1.13110252   -3.69636964
 H                  1.42317956   -2.12003144   -3.24421654
 H                  1.58550134   -1.23272985   -4.78551963
 H                  2.46907484   -0.68418698   -3.33268837
 C                  0.37941858    1.50573861   -4.12457022
 H                  1.28914349    1.99117763   -3.76038417
 H                  0.47375075    1.31329410   -5.19811697
 H                 -0.47003293    2.17145680   -3.94785784
 C                 -0.32121956    0.47703173    1.13650752
 C                 -1.48230431   -0.07603119    1.90140902
 H                 -2.10187215   -0.73434902    1.29137001
 C                  0.66198765    1.13466899    1.91519323
 H                  1.63354249    1.35297794    1.48420369
 H                  0.32616638    1.88308980    2.63354860
 C                  0.33724668    0.48190038    4.39988721
 N                  0.29826664   -1.28711302    3.13702814
 O                 -0.97028698    0.10329448    4.32305694
 O                  0.78733998    1.26437321    5.18114819
 C                  0.67572349   -2.16011383    2.06227765
 H                  0.58620133   -1.59495483    1.10442956
 H                  1.71433668   -2.46518565    2.18801002
 H                  0.00830579   -3.02261856    2.03845493
 H                 -2.11029524    0.75436319    2.25346349
 N                 -1.08053965   -0.82325437    3.24622026
 C                  1.07329070   -0.22078747    3.35592791
 H                  2.03377699   -0.60619677    3.62763690

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

Au
SDD



