#
#Lower level of theory opt
#
! opt freq wb97x-d3bj def2-svp def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.75910717576343     -0.72841065439318      0.49338093248096
  H          -1.13340167853661     -1.59815385284005      0.71616740831561
  H          -2.51726241585220     -1.05510992740278     -0.22136042524647
  C          -0.90721121679816      0.37087865841293     -0.06862964626462 newgto "def2-tzvp(-f)" end
  C          -0.67094483190227      1.47037002146509      0.64565243344985 newgto "def2-tzvp(-f)" end
  H          -0.00486958021104      2.25865635410054      0.30886284034166
  C          -1.28257462804685      1.77077039351632      2.04895132807705 newgto "def2-tzvp(-f)" end
  H          -0.57864586912066      2.36941967443149      2.61883998651765
  H          -2.21599283789987      2.32278858561100      1.91899603135612
  C          -1.53870326304442      0.43963850462208      2.59779156812530 newgto "def2-tzvp(-f)" end
  C          -2.51625397293661     -0.31367235019658      1.81291576569119
  H          -2.91261033594171     -1.19635995490485      2.30608031255193
  H          -3.33049186780470      0.35114558140541      1.52298325532688
  Au         -0.09551527956717      0.10736463630571     -1.95114655148182
  P           0.80760448494781     -0.18421825848706     -4.05440032495541
  C          -0.01993323524512      0.77168219485900     -5.35299604219691
  C           2.55166000397333      0.29188785757263     -4.18231596451975
  C           0.75908434502292     -1.89536609150334     -4.64942963822519
  H          -0.27691378495450     -2.23746710982704     -4.68866463776544
  H           1.20236423908114     -1.96302126655360     -5.64574542734076
  H           1.31351958856162     -2.53567423639832     -3.96062425667715
  H          -1.07118670852034      0.48165354788103     -5.40404678490840
  H           0.45524514671430      0.58921682103226     -6.31981001216407
  H           0.03860957219778      1.83533579646815     -5.11408096582206
  H           2.66016014956938      1.34657832747587     -3.92203923021837
  H           2.91568173530009      0.12889176774514     -5.19948892046521
  H           3.14338899451109     -0.30373128837841     -3.48451378536004
  C          -0.75854047636482     -0.14727336995614      3.64372923341518
  C          -0.83391829038909     -1.53280212292815      3.90135704361178
  C           0.11339360571236      0.63573588633309      4.42695809619371
  C          -0.05499504688232     -2.11531290036623      4.88453505259915
  H          -1.49242865241611     -2.16059714047153      3.31649205046725
  C           0.87523638828484      0.05100404402094      5.41944578399081
  H           0.18552815558697      1.70572827775073      4.27856998228541
  C           0.79572892250542     -1.32616043194519      5.64553294768440
  H          -0.11460903726547     -3.18215155858846      5.06154684555608
  H           1.40545499808417     -1.76617975613373      6.42708750131658
  C           1.77692143939958      0.90455660404089      6.23731457912592
  O           2.48721946972908      0.47832527049245      7.11821448789983
  H           1.75993906628161      1.98036910573190      5.98540461723134
*

