#
#Opt
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.07212493937101     -1.83062586563297      0.10851790260686
  C           1.05436298503752      0.37465992566313      1.23989667373981
  C          -0.16493546570627      0.05025190257341      1.06415667347512
  C           0.13388264463122      2.61890975904487      1.98982838118382
  C           1.30328752399616      2.16168279407381      2.52141447856141
  H           1.29174205838576      1.52736467400588      3.41156199998814
  C          -1.42297910754150      0.77785683101956      1.37117215863742
  H          -2.19426379370670      0.11256094472465      1.78390918471316
  H          -1.82195583257575      1.17922642182348      0.42509714058567
  C          -1.13153546403142      1.93613392299240      2.37694048069465
  P          -0.12501271270931     -3.90809495883517     -0.92537843488439
  C           0.86551978868763     -3.99017810383093     -2.44641569108928
  C           0.49626229511472     -5.24901625128565      0.13198001388920
  H           2.12475578588687      0.25456454500112      1.10453255450095
  C          -1.80238118865074     -4.41054510053205     -1.41093819058828
  H          -2.21729600315635     -3.67788847582596     -2.11810518200396
  H          -1.77681386912425     -5.40218911731629     -1.88721449055520
  H          -2.44806352047385     -4.44964507940597     -0.52179612004782
  H           0.49721882132296     -3.24643986388520     -3.16768497619089
  H           0.79442817859770     -4.99449101393591     -2.89065890831232
  H           1.91720839355956     -3.76786681102898     -2.21510526516500
  H           1.54300151819303     -5.04900239018301      0.40289967347868
  H           0.43508616496613     -6.21063585016440     -0.39952087136871
  H          -0.10314515634584     -5.30141575176931      1.05225264768999
  H           2.26835353832984      2.58691404896385      2.23308604973838
  H          -1.99927191171700      2.60922626841244      2.36899953967149
  H          -1.03411037390185      1.50825396908066      3.38396354349125
  C           0.11232351181301      3.61769557572918      0.88770557246819
  C          -0.96473738670271      4.50724608122006      0.75817049673389
  C           1.16334471242337      3.69020336114650     -0.04146007774202
  C          -0.99178891300318      5.45125456113636     -0.26161185901732
  H          -1.78991875243294      4.48193057698812      1.47215865237333
  C           1.14307124921211      4.62193712562158     -1.06969454118989
  H           2.00128447655201      2.99300410409051      0.02322471910547
  C           0.06241181930276      5.50777579833172     -1.18102642566181
  H          -1.83070876547918      6.14456575900381     -0.34778345419069
  H           1.96032352309293      4.66298242676116     -1.79245648512487
  C           0.03342891992987      6.47357184751995     -2.24983047355042
  N           0.01047012759466      7.24857796870351     -3.10860248064401
*

