#
#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          -1.10406268576744      2.58816651117511     -1.01166200573078
  H          -2.01925426313269      2.32983571527636     -1.55995857698362
  H          -0.74487767710507      3.54078271313761     -1.44826357463111
  C          -0.00830801751864      1.56920696193562     -1.18579639080631
  C           0.93476996511757      1.64667021154661     -0.18065237666065
  H           1.67438844220742      0.86370654663774      0.00334085504003
  C           1.11883731441361      2.93749836482234      0.64403023301680
  H           2.04509067746532      2.90896804258064      1.22076574599323
  H           0.96533502773793      3.86339050459745      0.08047517133387
  C          -0.04798052410375      2.27168617994394      1.17245782084871
  C          -1.34529169377484      2.68065973814437      0.49884445820894
  H          -2.16269322618363      2.00778378702304      0.78655812392558
  H          -1.61819083491272      3.69231709861698      0.83994236047509
  Au          0.01154488664156      0.14605137163236     -2.65531598043045
  P           0.02898993669604     -1.50208943176042     -4.32532785253803
  C           0.56547320673405     -0.89159520669111     -5.95303338120371
  C           1.13877201243891     -2.89556280063343     -3.95484762677841
  C          -1.59792736045734     -2.26231926527587     -4.61868393038701
  H          -2.31239742563856     -1.49154158594451     -4.94251918130806
  H          -1.52321655004917     -3.03851849085022     -5.39516729587144
  H          -1.96838759771126     -2.71411510889661     -3.68697194937887
  H          -0.11240315048239     -0.09338830335842     -6.28872588005270
  H           0.55860834391668     -1.70868067411879     -6.69006371667014
  H           1.58203891749396     -0.47928870592667     -5.87596673221660
  H           2.16825799023497     -2.52653165742552     -3.83931446428468
  H           1.10693700610188     -3.63793503988001     -4.76648175739110
  H           0.82870990069251     -3.37268630921370     -3.01375449858817
  C          -0.02935134314212      1.47891463336564      2.40792920212622
  C           0.96855793508326      1.65267736907099      3.38602578478421
  C          -1.01279346984273      0.50199986440347      2.65902332563073
  C           0.98739811007423      0.90632364649511      4.55042245230113
  H           1.74126988306242      2.41291914363061      3.24771145216037
  C          -1.00844273212995     -0.26000199425739      3.81213987143014
  H          -1.79155982597673      0.31092019039973      1.91600891981068
  C          -0.00275444057523     -0.08026359958359      4.79942080879294
  H           1.76750857042817      1.09668409500910      5.28863374198809
  H          -1.78131844332665     -1.01718837133403      3.95090621378083
  N           0.01104383452350     -0.82060381404444      5.93321173600918
  C          -1.03357835783681     -1.77448688602141      6.29323158748897
  C           1.07426508742853     -0.75600512302213      6.93140403172806
  H          -2.03427052167799     -1.33011412294540      6.17179837565001
  H          -0.98744242792147     -2.67185844074745      5.64830730708292
  C          -0.72123575037948     -2.11330706856547      7.74977141215100
  H           2.06670552011090     -0.80428299959595      6.45563122742583
  H           1.02381601031340      0.19117950603190      7.50023673570412
  C           0.79794079705995     -1.96394469937202      7.82454262964054
  H          -1.20717871459449     -1.38243162745932      8.41615007628389
  H          -1.07689945824079     -3.11396321119607      8.03235884239009
  H           1.28665172730637     -2.85788923979792      7.40440899039497
  H           1.17546016919885     -1.82352367755884      8.84704492831466
*

