#
#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 "guessG14_frz1Ang.gbw" end

* xyz 1 1
  Au          0.02319122611566     -2.19363347974459      0.16477367385919
  C           1.34679421597784      0.16779699879480      1.43049124817384
  C           0.16863005152346     -0.39420328058678      1.17371404525137
  C           0.28415864269275      2.18425393574944      2.00921967069874
  C           1.52781652330590      1.47734406719752      2.27265540586429
  H           1.60865743723609      1.20732560561699      3.32651992383045
  C          -1.10303225952241      0.28161851795977      1.57641850921227
  H          -1.78798058445790     -0.39712697275218      2.08811361899361
  H          -1.61716632518254      0.65197938830969      0.68522159868724
  C          -0.88530268783963      1.52052048711032      2.55668039981034
  P          -0.14493337790300     -4.20188114525670     -0.95728083495823
  C           1.01873929401451     -4.38030321984021     -2.33479913514886
  C           0.15564686771639     -5.65528114167216      0.08248353602352
  H           2.29168987830197     -0.22575906998704      1.06966910370073
  C          -1.77408309252087     -4.49561388967682     -1.69424854554168
  H          -1.99940726907177     -3.70010556043867     -2.40714917349694
  H          -1.78991359050746     -5.45968134777888     -2.20814570629964
  H          -2.53377648793235     -4.48929374638939     -0.91016773825569
  H           0.84876955762277     -3.58328610017480     -3.06121373412469
  H           0.88426149355354     -5.34990175530890     -2.82021940804066
  H           2.04083260560040     -4.30048050849453     -1.95955632237105
  H           1.16042532348877     -5.59759962808387      0.50548725431230
  H           0.06161912652140     -6.56950542086297     -0.50838357704360
  H          -0.56817141571018     -5.67422946786302      0.89959422503471
  H           2.42516232824524      1.99958410101973      1.95495508442897
  H          -1.79708044279086      2.11022778739513      2.55956874164848
  H          -0.67049304432746      1.11578708502645      3.54478972854378
  C           0.18458423832401      3.28798329633953      1.07742763716260
  C          -0.98134002603130      4.06881350622898      1.03126688824016
  C           1.24558363106237      3.57989129836986      0.20258829766262
  C          -1.08737699497552      5.12075384518668      0.13897263604902
  H          -1.79946028044406      3.88058064371384      1.71215037316114
  C           1.13989750069133      4.61346008625169     -0.70681913047488
  H           2.14561346698533      2.98070706604364      0.20764927515516
  C          -0.02503183351111      5.36410553453693     -0.71253684872098
  H          -1.97452882153037      5.73729266069110      0.10483480821999
  H           1.94290922885613      4.83642203066750     -1.39518306939178
  N          -0.13662721089078      6.48652359077906     -1.67598275899301
  O          -1.18879061773808      7.09144357462895     -1.71633483054042
  O           0.83058572505181      6.73306862729394     -2.36758187032241
*

