#
#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
  C          -1.34333130872157      2.05192743162056      0.22394088274151
  H          -2.23940741404569      1.80449740890138     -0.36025538297304
  H          -1.11707253736105      3.11102544857413     -0.00454151522485
  C          -0.13652117226248      1.22560249255366     -0.17093544974573
  C           0.85927772632310      1.24024118059121      0.75297111673195
  H           1.72683458870268      0.57419763792144      0.73029708548394
  C           0.81169951234299      2.23287073266477      1.93210424987146
  H           1.72415092757470      2.18715382717468      2.52985017192171
  H           0.58358817889993      3.25623873008902      1.60584843347016
  C          -0.33534476209316      1.48204075804401      2.41339131204517
  C          -1.61474513182845      1.83285193332860      1.71840533604472
  H          -2.37999748201691      1.06120291608756      1.85847581921732
  H          -1.99303380249100      2.74631755071254      2.21299051213870
  Au         -0.03202489353831      0.19561695788581     -1.94632365920878
  P           0.07949649483825     -0.96372267937814     -3.97954416414374
  C           1.36383747022313     -0.33995800478547     -5.10910989378916
  C           0.44006133492702     -2.73908209893233     -3.80033805809893
  C          -1.46043094801009     -0.89621192738282     -4.94787844001312
  H          -1.71032955754632      0.15178839008760     -5.16900951880901
  H          -1.34791957374848     -1.44878490246445     -5.89295818528947
  H          -2.28281628143906     -1.33736951013239     -4.36605543168647
  H           1.17115664621088      0.71853096119488     -5.33707109367468
  H           1.36795146908568     -0.91833497377708     -6.04540242280834
  H           2.34956483476645     -0.42077064140444     -4.62811888130950
  H           1.40475093838836     -2.86933616521798     -3.28865983064602
  H           0.48400462963623     -3.22494455012716     -4.78682827294113
  H          -0.34501280423050     -3.21632115764705     -3.19591551941282
  C          -0.25467335240284      0.50718694442734      3.47573552588732
  C          -1.27218162652124     -0.45064954083784      3.66528726050812
  C           0.85321482983688      0.50092665135813      4.36353983426309
  C          -1.19696676190017     -1.37711315852753      4.69339867696936
  H          -2.12611334352860     -0.49251398054687      2.98872390015832
  C           0.92599511995251     -0.41362139490247      5.39114902113780
  H           1.65264210588284      1.23821084179588      4.26599633049953
  C          -0.10598321541875     -1.36967569153940      5.56360330142076
  H          -1.97733412241433     -2.12675893061427      4.83853829284657
  O           1.92201987408370     -0.49616499800315      6.29996291470403
  O          -0.03274322564385     -2.25389743360958      6.55398855839049
  H           2.61106203167258      0.16154948356254      6.12844824054341
  H           0.78584490381497     -2.10827503874530      7.05615470277931
*

