%nprocshared=24
%mem=41GB
#p opt=(calcfc,maxstep=7) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
  P           0.06082532653136     -0.02598049853379     -2.72925515997399
  Au          0.33555722137206      0.88932658238233     -0.61080171030340
  C          -1.69255363881828     -0.12678436768575     -3.22933315778149
  H          -2.12673140299673      0.88723282960520     -3.26130102305566
  H          -1.76571936778210     -0.59359558279265     -4.22812561419108
  H          -2.24803614660077     -0.73553522565984     -2.49531732067341
  C           0.70704497016226     -1.73300188356148     -2.78716908880629
  H           0.20737216214786     -2.33770743533118     -2.01200000648844
  H           0.52185103664747     -2.16593548697689     -3.78669122166695
  H           1.79110148731666     -1.72061921426594     -2.58183204699157
  C           0.91773334965082      0.89981717543342     -4.04899556125476
  H           1.99858287645250      0.93893758407705     -3.82990150049592
  H           0.75456433776356      0.39513947105471     -5.01830352718821
  H           0.52059808057396      1.92835541224038     -4.09613317936641
  C           0.19416148095559      0.88803126089556      1.79164519126713
  C          -1.25485248530420      0.73980287564206      2.25861066434968
  H          -1.99589965704024      0.73452048460975      1.44470051933263
  C           0.81818508540224      2.01645185801646      1.32301662429127
  H           1.91485236438865      2.06666141718145      1.28580408187769
  H           0.26421447122630      2.96144342120838      1.23938704933146
  N           0.18228248928210     -0.63594288223760      3.58725468474266
  C           0.44426442096614      0.25078176553495      4.71171290828697
  H          -0.23310053646260     -0.02300173884952      5.53871233340621
  H           1.48268035955541      0.09639324705521      5.04977956471874
  H           0.30840299482954      1.33096538474676      4.49067998635311
  C          -1.14869571427694     -0.61967173534756      2.99104496928199
  H          -1.96645176348329     -0.89147148529969      3.66862449353447
  C           0.26527029952221     -1.54238719257972      1.51262243427938
  O           0.72596005988884     -2.21545795854418      0.63200963693616
  O          -1.00829763499142     -1.63849494428593      1.96030894408778
  C           0.88661440461364     -0.39098693866599      2.31903120298913
  H           1.98077291118468     -0.37877203891106      2.35220344355021
  H          -1.51741402267726      1.54622668984511      2.96380114562087

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

Au 0
SDD






