#
#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         -0.07065721087621     -1.93329421319057      0.12210936461808
  C           1.06106210869743      0.23630291415499      1.28708911857433
  C          -0.16165932781333     -0.06891310697175      1.11192040501779
  C           0.14936507360947      2.49065803630839      2.07263871246903
  C           1.31760171292486      2.02911575426669      2.60170404687234
  H           1.30511744967848      1.37795716868797      3.47957758407352
  C          -1.41508843549370      0.66059650459481      1.43306734918868
  H          -2.18804233396003     -0.00847170518566      1.83664405229584
  H          -1.81437500173476      1.07782489251529      0.49396378395917
  C          -1.11534862382295      1.80088346027423      2.45527144285045
  P          -0.13066038561609     -3.98859639419317     -0.95438443969340
  C           0.86360685974962     -4.04553219759052     -2.47413021727719
  C           0.48094443847183     -5.35376243179260      0.07749405670348
  H           2.13191398094485      0.11731924635045      1.15738848346162
  C          -1.80915446450966     -4.47330653942855     -1.45397605117490
  H          -2.21783755245898     -3.72636928220784     -2.14973290253728
  H          -1.78739085783105     -5.45667313204576     -1.94731072831286
  H          -2.45794687729251     -4.52427435298060     -0.56772698460045
  H           0.49896183311901     -3.28812243321380     -3.18291975331223
  H           0.79099116507233     -5.04159908848209     -2.93635873826343
  H           1.91529302233828     -3.83013754564097     -2.23637393801957
  H           1.52765560669167     -5.16405984610236      0.35586091537483
  H           0.41734021009072     -6.30428415393358     -0.47331802400738
  H          -0.12172137622952     -5.42174504901631      0.99459514706407
  H           2.28353823625656      2.45719757578586      2.32075994732393
  H          -1.98265956246017      2.47463785007738      2.46453674554261
  H          -1.01324865267706      1.35689930717208      3.45495090124665
  C           0.12276202204605      3.49740989991240      0.97984857063967
  C          -0.97093155586930      4.36291834792582      0.83181666084416
  C           1.18664342583146      3.60878306982931      0.06965852928630
  C          -1.00144522149360      5.31961813080182     -0.17897941042068
  H          -1.81219802125272      4.31342402431375      1.52602255278554
  C           1.16525724867090      4.55172225798495     -0.95117782629895
  H           2.04150312351366      2.93225055981203      0.13972423764840
  C           0.06830559231893      5.40503786308900     -1.06622568644093
  H          -1.85356860587440      5.99500906986563     -0.27610698058906
  H           1.99341617604601      4.62125145498648     -1.65909433041672
  Cl          0.03343533119393      6.58819141326678     -2.34088704647547
*

