#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.06317208304098     -0.15692036738361      3.65356828544553
  H          -0.53612713922504     -1.00907232722405      3.22206302708814
  H          -1.14398684013487     -0.33823535854231      4.72865527386911
  C          -2.42795653660115     -0.14451811906383      3.11689726971675
  C          -3.60252059048550     -0.11843089470590      2.79064542399772
  H          -4.67283406747469     -0.09130262435351      2.72494582052888
  C          -1.16466983069202      2.40965459666898      1.47474177131446
  H          -1.19979684504268      2.70327954791571      0.43243031898425
  H          -1.93499415588731      2.81636238102955      2.12086282074772
  C          -0.23353227649054      1.59148013377659      1.97131940688263
  C          -0.30855733995181      1.16964108854014      3.42012203391700
  H           0.68989397660185      1.05988338311536      3.84817071707810
  H          -0.81959624747073      1.95356588393735      3.97987195246854
  Au         -2.55970469270368     -0.23294101698031      0.80351116262070
  P          -2.13482951393117     -0.49444775214924     -1.42798315629359
  C          -3.48170390526071     -1.32586445887277     -2.29867017794742
  C          -1.88048701127156      1.06220995829618     -2.30728608841968
  C          -0.66264445781747     -1.49481230380955     -1.73154086002125
  H          -0.82119124342898     -2.49645460605113     -1.32786292615285
  H          -0.47017242225350     -1.55820138680722     -2.80484024977325
  H           0.19349126907993     -1.04454579684880     -1.23087442871278
  H          -3.64951238825325     -2.30850357764451     -1.85485218775365
  H          -3.22167377516527     -1.43947330011804     -3.35372937796312
  H          -4.39422891088391     -0.73407093200530     -2.20911246791322
  H          -2.77192851894713      1.68368957351569     -2.20550256340667
  H          -1.69550148261544      0.85988964809371     -3.36467849874274
  H          -1.02826013135980      1.59196153176202     -1.88302927267764
  C           0.83588810609219      1.02559642662545      1.10279088328583
  C           1.55762412801239     -0.10147712384745      1.48716880254231
  C           1.13997536765932      1.60493132279080     -0.12945732250915
  C           2.51945972795086     -0.66568474762581      0.66009165645333
  H           1.37731377415855     -0.56712502137806      2.44416857011840
  C           2.08424378558835      1.05215595297701     -0.97708184817378
  H           0.64113837304096      2.51231078300092     -0.43855077884497
  C           2.76759511030226     -0.08984223400989     -0.57652550762846
  N           3.75689416129498     -0.70713861328557     -1.48736199082634
  O           4.92134148798071     -0.65633481663551     -1.15816746065723
  O           3.32341865049338     -1.22067121369502     -2.49646154790271
  C           3.25489250812378     -1.90233022553940      1.13800275096160
  F           2.57732593557595     -2.53132800539076      2.11184684598406
  F           4.46887796763013     -1.60486687515999      1.63242161542535
  F           3.43303999949660     -2.79561149820683      0.14550530440760
  C           2.30731523963433      1.69791156084132     -2.32925728589661
  F           1.93570656653896      2.98744947992954     -2.32556686046569
  F           1.58903275293941      1.08511413778238     -3.29037762996194
  F           3.59762335819431      1.66037321673569     -2.70812330519332
*

