#
#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 "guesspsminG24_IRC_311.gbw" end

* xyz 1 1
  Au         -0.26244120121641     -2.90164343989639      0.05980136131950
  C           0.21633630725540     -0.64002080347722      1.94715342189242
  C          -0.65848542396331     -1.14714443161653      1.07983893886548
  C          -0.87030427412598      1.40086940806388      1.94025323151197
  C          -0.05475242635729      0.61716490567194      2.84979556542789
  H          -0.60354126106686      0.31289740963153      3.74048945315703
  C          -1.93766719233840     -0.43433875152202      0.77684875619776
  H          -2.80449968838201     -1.09328508105301      0.85656400192038
  H          -1.90236888663066     -0.07032919775086     -0.25440047993094
  C          -2.19028781037473      0.82112908222601      1.70812945210164
  P           0.18562521545536     -4.85215408387964     -1.08756191507904
  C           1.67882297833586     -4.77534618595330     -2.11100918437317
  C           0.43589475918104     -6.29747852726396     -0.02351795892579
  H           1.21230563025165     -1.04360075458114      2.09699055610877
  C          -1.12833895996538     -5.34930132711321     -2.23192317132294
  H          -1.28591925306881     -4.56013718280967     -2.96967705683473
  H          -0.85531119819478     -6.27567048124080     -2.74292995358480
  H          -2.05593592060560     -5.50038472906474     -1.67640859466473
  H           1.57557894031482     -3.97469632101755     -2.84593493831923
  H           1.83289573370061     -5.72579102207916     -2.62738912232465
  H           2.54220798658728     -4.56135705386203     -1.47806162154478
  H           1.27550706426329     -6.11290370575237      0.64935342936986
  H           0.64335252703041     -7.18226456090753     -0.63004818758718
  H          -0.46145627897887     -6.46848032512900      0.57429465398035
  H           0.89906129097335      1.05841325753647      3.12069240740087
  H          -2.90365379985938      1.48971746509787      1.23498205249780
  H          -2.59146036270626      0.45223092352756      2.65199444781482
  C          -0.34772876225611      2.49146717995142      1.15010566888459
  C          -1.05744235727197      2.95328640904775      0.03294381768021
  C           0.88332284954706      3.09037641860511      1.47088607157475
  C          -0.53703406884044      3.96869877028580     -0.75033678470896
  H          -2.00865357511259      2.51405593187274     -0.23673708640484
  C           1.37926763200667      4.10935756081458      0.68564976883632
  H           1.43917715108746      2.77180638349121      2.34086702516994
  C           0.68016862307186      4.55150869516905     -0.43412989214864
  C          -1.31051078569090      4.41832278841554     -1.96604860035640
  C           2.70954140184789      4.74532008622471      1.00681567563014
  H           1.08148529421815      5.35066445384131     -1.04585306326322
  F          -0.85396322737126      5.58067674210792     -2.45887120015461
  F          -2.61787526778705      4.58662029862586     -1.68752799681362
  F          -1.23978634013016      3.50933966218070     -2.96103479952719
  F           3.10956616680300      4.48284595945778      2.26230263194014
  F           2.66704780201728      6.08406042388057      0.87071135633912
  F           3.68021296834677      4.30069475024281      0.18136086224770
*

