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

Opt freq

0 1
 P                  0.58712969    0.03467691   -3.29667202
 Au                 0.76622830    0.04663230   -0.95046992
 C                 -0.11988188   -1.51646677   -3.98319457
 H                 -1.09674487   -1.71561445   -3.53339390
 H                 -0.22617727   -1.43356793   -5.06915884
 H                  0.54464576   -2.35236594   -3.74560104
 C                  2.16538727    0.23700468   -4.21464457
 H                  2.84218929   -0.57961327   -3.95167468
 H                  1.97297029    0.22824781   -5.29208603
 H                  2.62584680    1.18601087   -3.92912694
 C                 -0.48314370    1.36830122   -3.97233952
 H                 -0.03240162    2.33863596   -3.74436171
 H                 -0.58014256    1.25862267   -5.05712354
 H                 -1.47337645    1.33176120   -3.51000634
 C                  0.85329498    0.06858649    1.15662864
 C                  0.34344049   -1.19351176    1.88426940
 H                  0.78722086   -2.10016864    1.46494097
 C                  0.17793436    1.27289592    1.76778012
 N                  0.13830358    0.17037916    3.89793137
 C                  0.19141019    0.29006373    5.34947749
 H                  1.21907821    0.46198974    5.69863664
 H                 -0.43528540    1.12626325    5.66773795
 H                 -0.18621072   -0.62684693    5.81337681
 C                  0.90219454   -0.92554558    3.27828059
 H                  0.94032991   -1.77134895    3.96462679
 C                  2.31874414   -0.40612827    2.92777123
 O                  3.30307579   -0.37432363    3.63507677
 O                  2.29286798    0.08470431    1.66706974
 C                 -0.10421171    1.25588044    3.10604699
 H                 -0.54041944    2.11139221    3.61525944
 H                 -0.74430364   -1.27585235    1.87792171
 H                  0.13835770    2.21959622    1.23748683
 H                 -1.51790535    1.09526609    0.96676553
 O                 -2.28750127    1.14382701    0.30846269
 C                 -2.76734550   -1.25178893   -0.78450250
 S                 -3.28561704   -0.10966714    0.49994443
 O                 -3.03045914   -0.71814290    1.81272379
 O                 -4.62834374    0.37365155    0.17331381
 H                 -1.72953216   -1.54390814   -0.61667838
 H                 -2.87950861   -0.75593835   -1.74953481
 H                 -3.42992013   -2.11812376   -0.72204715

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

Au
SDD



