#
#Opt
#
! opt 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
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -0.83226807720056     -1.19344757066621      1.08950971932217
  H           0.15812871289414     -1.65372653223913      1.24977386988987
  H          -1.40979173765378     -1.91687265789024      0.49399204001100
  C          -0.67956795907077      0.11795833449720      0.36137368981515
  C          -0.88576637530280      1.26522278580248      1.02784659505330
  H          -0.77600431352719      2.24605112670627      0.55259715725706
  C          -1.25644752907818      1.36488786660832      2.51877925814174
  H          -0.73825901026391      2.21453736520713      2.97459807315642
  H          -2.34257278925690      1.55495850516943      2.60382354332307
  C          -0.97656886703452      0.07653502195085      3.17825420805665
  C          -1.57180526039221     -1.06041925444743      2.46172060936180
  H          -1.54328423658484     -2.00917107061554      3.00556886166104
  H          -2.61947605025465     -0.80743782249538      2.23655604387440
  Au         -0.11345771883064      0.09458807027750     -1.62753486250477
  P           0.53591395828686      0.08172129332114     -3.87800951233588
  C          -0.78816748697283     -0.40444455614808     -5.03021929409096
  C           1.10872422279167      1.69942143013893     -4.48808165441598
  C           1.90755321851666     -1.05812820246759     -4.24814312359134
  H           1.61437316723087     -2.08551688795874     -3.98697977189437
  H           2.16948047949589     -1.01644557959546     -5.31627376444996
  H           2.78713773113679     -0.78311246500228     -3.64776598175104
  H          -1.13548327899014     -1.41842108150104     -4.78358711069056
  H          -0.42492610015048     -0.38785650441529     -6.06896416065200
  H          -1.63601778157208      0.28908831408101     -4.93094189577167
  H           0.30881616026952      2.44458001192927     -4.36751278930398
  H           1.39021610099616      1.63696900130882     -5.55018917446495
  H           1.97990834836519      2.02467296779477     -3.90058966802769
  C          -0.11224703461958     -0.06470688279943      4.30572589937934
  C           0.24099508120676     -1.35407371768551      4.78879137128980
  C           0.42836708349676      1.07357719507012      4.96273873613889
  C           1.10499441673838     -1.49336900173659      5.86021733557473
  H          -0.15886684352941     -2.24983610454816      4.31346843364744
  C           1.28075596172106      0.92510406584530      6.04256286649710
  H           0.16845400014862      2.07879518844271      4.63079819834643
  C           1.62286553869266     -0.35573596595246      6.48735682508743
  H           1.37820393574687     -2.48862358277167      6.21598513038417
  H           1.68656118082980      1.80652621892495      6.54272182900337
  H           2.30089026172083     -0.46906549213996      7.33736152967275
*

