#
#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
  Au          0.12918063058525     -1.46778661813272      0.05807483127680
  C           1.33449443162896      0.89092863385846      0.62829426396857
  C           0.13312617567873      0.51097482753834      0.80045481103559
  C           0.45606205394493      3.19540548085480      1.31944930727892
  C           1.75018534461735      2.87616721926932      1.60203388173451
  H           1.99970294701636      2.35373325328832      2.52926227623807
  C          -1.06302499505798      1.22138066897903      1.32119743566632
  H          -1.66736388723852      0.58268434115761      1.98060227937928
  H          -1.70123329819326      1.48329948607575      0.46121418744690
  C          -0.62152416409971      2.50693758287189      2.08597251508174
  P          -0.03422601824220     -3.65123293095014     -0.71233482137007
  C           1.57561292989698     -4.44188340095948     -1.00456480669451
  C          -0.90830042194832     -4.74408400408032      0.44685408538953
  H           2.35064304982497      0.80724830668290      0.25709496550335
  C          -0.93561347823438     -3.79278261116615     -2.28360828796577
  H          -0.41367022036260     -3.21797859201344     -3.06219000309171
  H          -0.99775399206916     -4.84782841585459     -2.59012632654054
  H          -1.95077060571942     -3.38708852906596     -2.16562596600494
  H           2.13521339500544     -3.87088967673961     -1.75943293414819
  H           1.43152396610095     -5.47302909227818     -1.36111137204949
  H           2.15601152955084     -4.45697755145034     -0.07086757094390
  H          -0.37208499051438     -4.76838577153593      1.40649456274868
  H          -0.96659326460454     -5.76300775101199      0.03547840014406
  H          -1.92501964549593     -4.36251821411286      0.61935118170093
  H           2.58316644312672      3.30882433224070      1.04126559662612
  H          -1.51220485495150      3.13505503221271      2.22023485328672
  H          -0.25134160589966      2.21483353594609      3.07823508335162
  C           0.08742676603865      4.02997340492642      0.14500533119603
  C          -1.06754428702971      4.82695856195430      0.16939011457884
  C           0.88323877215705      4.03937863941013     -1.01302463185062
  C          -1.40808259692024      5.62067488258632     -0.92473363032662
  H          -1.70000102844190      4.84955930418475      1.05984775138364
  C           0.53620341535416      4.82437945629872     -2.10861405832702
  H           1.77319399261119      3.40724494016603     -1.06714452514023
  C          -0.60953351144614      5.62066101989409     -2.06734142861672
  H          -2.30607845360459      6.24231356632337     -0.88238038559870
  H           1.16173671381373      4.80977896427446     -3.00482117460492
  H          -0.88091239076186      6.23788717209302     -2.92768518649296
*

