#
#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          -1.48515420832145     -1.01661149183253      0.79637802551477
  H          -0.68630275930818     -1.74128061192724      0.98117623147888
  H          -2.20565218968948     -1.49825897134315      0.13197236471999
  C          -0.90306789830463      0.21884215603082      0.17569961902290 newgto "def2-tzvp(-f)" end
  C          -0.85304382106353      1.35834238080310      0.86426444052810 newgto "def2-tzvp(-f)" end
  H          -0.37614952475148      2.25528937556804      0.48135662942529
  C          -1.43701241809048      1.56216329317499      2.29611267438996 newgto "def2-tzvp(-f)" end
  H          -0.84048716098662      2.30611174342339      2.81503049332656
  H          -2.46995341385531      1.90722301982557      2.21336099173394
  C          -1.37958619185661      0.22088922073828      2.87665062141371 newgto "def2-tzvp(-f)" end
  C          -2.22099574690308     -0.73924952019367      2.16132748591224
  H          -2.39024114975051     -1.67265926581981      2.69007534959326
  H          -3.17461762251858     -0.26580441227432      1.92403982664016
  Au         -0.14867337319172      0.07522119238089     -1.74306957995274
  P           0.69640118998542     -0.09598563568571     -3.88324592163158
  C          -0.27380123320382      0.78158379205407     -5.13769970751006
  C           2.37633557055807      0.55804539899409     -4.07083364454231
  C           0.80107106515383     -1.79765238782074     -4.49882389187365
  H          -0.19453835604942     -2.24562688426081     -4.50033221143703
  H           1.20702669829906     -1.80981173564473     -5.51313131177416
  H           1.44751675862766     -2.38249902969880     -3.84162170137094
  H          -1.29113454462167      0.38579638889757     -5.15267365143686
  H           0.17978398284564      0.65691185255455     -6.12387856437889
  H          -0.31480388065439      1.84357042634033     -4.88798990588903
  H           2.38671829972039      1.61593300857707     -3.80130022390233
  H           2.71513139556522      0.44249808661463     -5.10312531434564
  H           3.05288781758918      0.02029899618813     -3.40379531333678
  C          -0.44138176206069     -0.16510765067543      3.88694950863332
  C          -0.17751539603397     -1.53008216712372      4.12160648741499
  C           0.24149429419235      0.81150872897591      4.63715713617967
  C           0.76457292019491     -1.89308151555655      5.06390129289196
  H          -0.68546734775609     -2.29732484602602      3.55447432815599
  C           1.16316934370234      0.43081736126327      5.59589159944839
  H           0.04386144174257      1.86634862175275      4.50536791237377
  C           1.43093434739929     -0.92288957628805      5.80339465307621
  H           0.98505489293099     -2.93970684363610      5.23654478574281
  H           2.16054021759613     -1.21520093601658      6.55290528028129
  O           1.77824132002047      1.41294777361687      6.30518732668536
  H           2.39237721284816      1.02056388404965      6.94234447879828
*

