#
#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         -0.08482382938588     -2.20818372925647      0.09360995906194
  C           1.14548865498814     -0.17420269210102      1.28395648941927
  C          -0.09797181683991     -0.40152188704915      1.19916813941186
  C           0.33553169305380      2.12095317014561      2.26561672315106
  C           1.52680725850756      1.62289677477103      2.70441496227994
  H           1.55238190428653      0.91469468477555      3.53639774483407
  C          -1.30601687050038      0.33298922978630      1.65351102252416
  H          -2.05825660070711     -0.34773030749016      2.07665844408818
  H          -1.76689418922943      0.80721074084010      0.77138648676312
  C          -0.90185662154055      1.40488947905023      2.70838055199942
  P          -0.24503110448421     -4.19815414128539     -1.08934055304547
  C           0.74548705508611     -4.22600213771030     -2.61218634102742
  C           0.29634897574818     -5.64295094588957     -0.12917717959614
  H           2.20649138996103     -0.29726005215368      1.09726651953809
  C          -1.94586797993854     -4.57251471958091     -1.60761134635066
  H          -2.31847003705144     -3.76972530723138     -2.25999507801496
  H          -1.97320761419378     -5.52745395371952     -2.15365290671149
  H          -2.59500853788923     -4.63954033701554     -0.72272413832307
  H           0.41312482347937     -3.42133233444977     -3.28379888938712
  H           0.63103307987221     -5.19568175772772     -3.11980767157907
  H           1.80532912480461     -4.06632126305166     -2.36690056904011
  H           1.35068163303631     -5.52091003639211      0.15815710489762
  H           0.18585708538064     -6.55988546903891     -0.72742148584915
  H          -0.31087234888000     -5.72686825203972      0.78354630128849
  H           2.48629269808928      2.04346049921094      2.39300715850205
  H          -1.75877998426263      2.07690710389976      2.84927493326520
  H          -0.71415403604000      0.89810045372185      3.66499510992454
  C           0.23281097392379      3.17465768100146      1.23441379203666
  C          -0.96824390921205      3.86580765154964      0.99937537102618
  C           1.33075897560199      3.53616122572513      0.43044553941721
  C          -1.07329164999315      4.86582705265271      0.04376929603974
  H          -1.85798479827961      3.63747832830323      1.59024489587583
  C           1.24663207300652      4.52421435379422     -0.53505613689303
  H           2.28432273599129      3.01442238243926      0.54351954717658
  C           0.03721905001726      5.23413602770762     -0.75482881834110
  H          -2.03283839964022      5.36849180295860     -0.07790417663072
  H           2.13158527569124      4.74464500560018     -1.13225023560247
  N          -0.05163164276884      6.22130660053023     -1.69441752776685
  C           1.09557274518766      6.55567576467615     -2.51156230769922
  C          -1.31434645152063      6.88950724988175     -1.92708339977576
  H           0.83617498403880      7.39261593956445     -3.17034942535083
  H           1.95893259833468      6.86709664037691     -1.89957262427338
  H           1.41570340380233      5.71144022411601     -3.14767970893470
  H          -1.17888697828369      7.65720110289179     -2.69781475843481
  H          -2.09571987380519      6.19190278825396     -2.27696142874414
  H          -1.68885086744285      7.38941752495823     -1.01761719514950
*

