#
#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 "guesspsminG21_IRC_294.gbw" end

* xyz 1 1
  Au         -0.50847407822051     -2.38979205790852      0.14893487026652
  C           0.64961295767749     -0.09105384678658      1.65484509404593
  C          -0.49674572045160     -0.63874742244096      1.24803840805725
  C          -0.32373664017169      1.87431355079659      2.11039894115016
  C           0.72330622684319      1.08216147228028      2.70355506367211
  H           0.47300464335057      0.71056742750394      3.69422115759705
  C          -1.80180899641113      0.02526628519947      1.52952887720557
  H          -2.51429163111348     -0.64388651146652      2.01607692506037
  H          -2.23993551525634      0.31848279487720      0.57153515642666
  C          -1.66643296290239      1.36140227291090      2.37570687780239
  P          -0.51776925665026     -4.34141238931898     -1.08130160418385
  C          -1.45754378042519     -4.22992257986441     -2.62594501165514
  C           1.13085254496417     -4.89827666252526     -1.58483567481652
  H           1.62842036750917     -0.38529989356278      1.29147664955877
  C          -1.23597180917896     -5.75635809190562     -0.20735283689544
  H          -2.27024557626614     -5.53145654411102      0.05993083637432
  H          -1.20897409925334     -6.64543825749161     -0.84182039493692
  H          -0.66994155954466     -5.94457639552689      0.70692293016600
  H          -2.49558147072385     -3.97646449468480     -2.40234892005039
  H          -1.42240534903578     -5.18295362768668     -3.15906243194098
  H          -1.03205363443250     -3.44562945248159     -3.25490135804671
  H           1.60485552794641     -4.12632783757269     -2.19410032209426
  H           1.05722331565358     -5.82314408311360     -2.16180543673494
  H           1.74311593634028     -5.07065702365671     -0.69762944697411
  H           1.71721305116763      1.51686204527479      2.68736217985227
  H          -2.47428683445248      2.02915581324887      2.09347919003392
  H          -1.74492762277025      1.09558423264705      3.43023446836259
  C          -0.05716969854923      2.95481899781140      1.16106279028137
  C          -1.08603168565196      3.83062927213923      0.80320375380557
  C           1.22485292949600      3.11576015926204      0.61727755244573
  C          -0.82028235799622      4.85604600079927     -0.08024263851391
  H          -2.08448746272101      3.75795829366815      1.21007045034241
  C           1.44609136818882      4.12237979882900     -0.29123073010576
  H           2.04773230386566      2.45811408959317      0.86197028418017
  C           0.43450450267838      5.00710264865810     -0.64484538123513
  F          -1.79584370059704      5.69849728974375     -0.42450624018043
  F           2.65866722630691      4.27972667439654     -0.82587202959986
  N           0.69253261713648      6.08576846905502     -1.60585312474843
  O           1.11378556088416      5.76036936633570     -2.69487567933148
  O           0.46345636276711      7.21759021707474     -1.23789719464289
*

