#
#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          -1.25569648384681      2.14287347351106     -0.42006060086029
  H          -2.19368745253620      1.87394964289318     -0.92679799296084
  H          -0.94515961595995      3.09830879474949     -0.89161864947799
  C          -0.16650248865405      1.16869833032506     -0.71910348701512
  C           0.68926882897877      1.04538600805751      0.39365867187135
  H           1.40023502397357      0.22449980400859      0.50392979721045
  C           1.10810711423804      2.37760585347626      1.09628554854183
  H           2.07224011954993      2.26521831038372      1.59678365946247
  H           0.98625932259487      3.29405062787401      0.51338569639845
  C          -0.05379982889949      1.71052324924783      1.65117867510735
  C          -1.38554394039836      2.21631988091093      1.10700575621325
  H          -2.20050102579826      1.56006584555686      1.44426219523206
  H          -1.59753878775075      3.23002714242990      1.47803347043359
  Au          0.01974025415532      0.13921435548727     -2.46382872525835
  P           0.23662884406874     -1.02189555968560     -4.49565440731437
  C           1.26347771312943     -0.14098839963950     -5.71107519622959
  C           0.99950212697724     -2.66330385306066     -4.32218330609382
  C          -1.35030131844861     -1.31630106694225     -5.33311480203717
  H          -1.84796174932098     -0.35543999869728     -5.52872366330061
  H          -1.18903332108067     -1.84351145208670     -6.28541974834197
  H          -2.00022858006678     -1.92447397787392     -4.68733187258566
  H           0.82524227116939      0.84594659169279     -5.91882225852186
  H           1.32353858236683     -0.71683151525182     -6.64683161966576
  H           2.27552364848706      0.00099519164124     -5.30498374195008
  H           1.99908627284902     -2.56110769658266     -3.87528933016254
  H           1.08823552992388     -3.14929248333814     -5.30542915491876
  H           0.38109600613277     -3.28909398283666     -3.66246942837561
  C          -0.00043873427437      0.99913546657935      2.96182786842261
  C          -0.79678071582612     -0.13530399616954      3.17895680672510
  C           0.79800999918811      1.45034239565507      4.01265257428670
  C          -0.77566486513603     -0.77455970462723      4.40067556997759
  H          -1.46004283534409     -0.52635804795367      2.40297775514760
  C           0.82324534108969      0.78228388658158      5.23701511460828
  H           1.41634158465317      2.34226618856632      3.88506403180671
  C           0.04626374507968     -0.36395271754171      5.47455359807305
  F          -1.59904742129992     -1.82345885596876      4.57378741881429
  H           1.47253149859814      1.16212611478302      6.02669989622894
  N           0.01954882946228     -1.02874831776502      6.69747711110360
  C           0.24280075512418     -2.46667498276586      6.70758838935228
  C           0.60889032480275     -0.35847800996233      7.83611497064175
  H           1.32222179405286     -2.71198385438729      6.66409137400539
  H          -0.16725661975285     -2.89590559740189      7.63401879147249
  H          -0.25245221221042     -2.95543129477748      5.86255304408507
  H           0.31317005095998     -0.89209176799819      8.75112035124041
  H           1.71672596226031     -0.33144601320992      7.80606217554090
  H           0.23766258273871      0.67356551211303      7.91447389306676
*

