#
#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          -1.11096894364255     -1.36144361273729      0.48661767572002
  H          -0.11332988291537     -1.67263936400677      0.81173586104006
  H          -1.48791134746821     -2.14440707569834     -0.17480210341584
  C          -1.02206229717088     -0.04057853172813     -0.22249813046119 newgto "def2-tzvp(-f)" end
  C          -1.50787170644471      1.05967828147241      0.35113156950908 newgto "def2-tzvp(-f)" end
  H          -1.42081143108552      2.04253952677377     -0.10200736125763
  C          -2.22601536784380      1.10183971776081      1.72950954972118 newgto "def2-tzvp(-f)" end
  H          -2.00260274084165      2.04510960763590      2.21863462118416
  H          -3.30492204455140      1.02467343577349      1.56906183700624
  C          -1.73954426520447     -0.08327139027070      2.44330006002789 newgto "def2-tzvp(-f)" end
  C          -2.05970461342729     -1.32750851946210      1.74072181292558
  H          -1.93172332341412     -2.22950635892101      2.33150871447456
  H          -3.08348095351548     -1.26958967004897      1.36840564101750
  Au         -0.10808680374866      0.00859028158902     -2.07512145468179
  P           0.90575913035092      0.05680978958113     -4.14742119810448
  C          -0.20421147271744      0.52362914989525     -5.50224776137983
  C           2.28863201271873      1.22174173393144     -4.27483986427036
  C           1.60426489605001     -1.53424594210346     -4.66350773987995
  H           0.81236478917578     -2.28505337666557     -4.69702410367395
  H           2.06274197010617     -1.44483669932060     -5.65124780829387
  H           2.35803619121639     -1.85230503126625     -3.94061193398469
  H          -1.03080822046798     -0.18753692336174     -5.55641416412174
  H           0.33636907613716      0.52617014450072     -6.45179220667860
  H          -0.61061495505376      1.51907675510262     -5.31286634401609
  H           1.93278362915477      2.23226501000354     -4.06472963425275
  H           2.72006768299056      1.18954257151805     -5.27817032223638
  H           3.05406601672874      0.96056780557030     -3.54153203445475
  C          -0.87806604332600     -0.02698886756059      3.57678127903982
  C          -0.21984942263446     -1.19078233775080      4.03567963754669
  C          -0.65076997148769      1.18886538409140      4.25895183761821
  C           0.63924127662364     -1.14044453504625      5.11010581049384
  H          -0.36597515673539     -2.13888355255823      3.53688639873539
  C           0.19265118249946      1.24340665747778      5.34634601962357
  H          -1.15240964767718      2.09494567134129      3.94981631366172
  C           0.83224351170078      0.07758298373054      5.75623951828103
  H           1.15378067238065     -2.02852229010548      5.45375851898365
  H           0.35784233311584      2.17272539538984      5.87596789973568
  Cl          1.89590831927442      0.14192023390997      7.11568952141200
*

