#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guesspsminG4_IRC_325.gbw" end

* xyz 1 1
  Au          0.10202840371482     -2.81443207595934      0.48172237187128
  C           1.13808767414075     -0.33599534183466      1.78751254808222
  C           0.03740729764362     -0.93030211918390      1.33087459028661
  C           0.02045752308211      1.73010467168767      1.92829825896390
  C           1.16414212873496      1.04814258718785      2.51838098377778
  H           1.02658853235620      0.88619432814418      3.58875326721651
  C          -1.28726370723868     -0.23484171580620      1.39369737185204
  H          -2.06225843473426     -0.87435292420150      1.82088779079207
  H          -1.60696234730186      0.02636875694545      0.38060609673829
  C          -1.25409973736236      1.09588471908783      2.24867309189772
  P           0.17188365822850     -4.91898720294467     -0.46050472003077
  C           1.27532628896697     -5.05415389270985     -1.89185299893188
  C           0.73486813770222     -6.21651614779780      0.67250537539772
  H           2.13106005986270     -0.75994459368718      1.67752963467645
  C          -1.43202394031437     -5.50760389146763     -1.06479265859538
  H          -1.80836731872452     -4.82086004040053     -1.82544966472047
  H          -1.33137759774359     -6.50695112589879     -1.49488106333914
  H          -2.14323995419894     -5.53806150737302     -0.23708343320331
  H           0.95145695883283     -4.35795548176572     -2.66791464626297
  H           1.25943031216424     -6.07263078401576     -2.28714636204174
  H           2.29295401427661     -4.79646030155743     -1.59204391120626
  H           1.74078239481157     -5.98041203909604      1.02497974364011
  H           0.74494487680821     -7.18421489688681      0.16526129419925
  H           0.06428392695022     -6.26371099739651      1.53272249492902
  H           2.12257221543888      1.52204097845104      2.32867792632007
  H          -2.12953557781446      1.69950729321351      2.02630899169003
  H          -1.25356032894245      0.80152021074815      3.29849188483313
  C           0.14870633912665      2.77155627032314      0.94254167405386
  C          -0.93306325283121      3.08131639658351      0.09543492253902
  C           1.35261208106657      3.48181514043716      0.80221575946064
  C          -0.80042194645280      4.04711834465400     -0.87977342334991
  H          -1.86986706391536      2.54798901126820      0.18255813928302
  C           1.47685759285067      4.46878176717067     -0.15915631676414
  H           2.18767436312979      3.28511366922834      1.46006795869500
  C           0.40457935879933      4.73554248662663     -0.99952882756009
  H          -1.62809948785086      4.26901706207983     -1.54256227125131
  H           2.40265658609483      5.02090832071238     -0.25370536587263
  C           0.50971019166750      5.81065417615538     -2.05761962537452
  F           0.08106242007085      5.36640506035026     -3.25496484669887
  F          -0.24983228820477      6.87966616767850     -1.74157999747331
  F           1.76619664710887      6.25256666124969     -2.22348903851905
*

