#
#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
  Au         -0.46329515278257     -2.34349509614411      0.10910390113520
  C           0.62987446109972     -0.25671819895388      1.53917245936226
  C          -0.55842779692743     -0.54669563183053      1.20130453735915
  C          -0.22298536720543      1.90337876374739      2.29902689229722
  C           0.84362482841493      1.35751452942989      2.93918907782717
  H           0.68744958335751      0.70437300606883      3.78962641345892
  C          -1.81071589508308      0.21547668227008      1.42695948839473
  H          -2.63525311320103     -0.42923697715326      1.73228610582002
  H          -2.09471853973070      0.68296742983283      0.48026376791288
  C          -1.56555550516820      1.30943526818153      2.51687430491213
  P          -0.46832509487642     -4.29244551185398     -1.09813611618140
  C          -1.13067932011935     -4.09794456438608     -2.76983535126728
  C           1.17755176151883     -5.01032573083984     -1.31694571605632
  H           1.69067952239984     -0.42030065911151      1.46767393286978
  C          -1.46258429974782     -5.59935946815050     -0.33980036814507
  H          -2.49596356121863     -5.26104498877858     -0.24463541867364
  H          -1.42892768229871     -6.49979589228418     -0.95763109012175
  H          -1.07121479780946     -5.82404958995869      0.65403255094432
  H          -2.15933313007142     -3.73719171705948     -2.71417614408333
  H          -1.10793440875208     -5.05673619645183     -3.29313277342066
  H          -0.52950854576508     -3.36953496343703     -3.31692424354495
  H           1.81894826074321     -4.29737868319003     -1.83812006436777
  H           1.10733033239556     -5.93191102162165     -1.89963631304801
  H           1.61209895677810     -5.22883809067325     -0.33979823058930
  H           1.85019053725105      1.72561372470018      2.77519550075430
  H          -2.36768848536794      2.04295710246797      2.44125984163209
  H          -1.60439981678160      0.83761524815151      3.49831769297577
  C          -0.04718237649253      2.94348355897493      1.25176503334523
  C          -1.01420483339144      3.93501591278782      1.09291736822113
  C           1.08404980064571      2.93416489231964      0.43414693499217
  C          -0.82806551353404      4.91274118252405      0.13801836074565
  H          -1.90213156541499      3.97942747543119      1.70942821082899
  C           1.22826693930421      3.90577209523461     -0.53041231387771
  H           1.84876538991439      2.17326223641412      0.52003432394669
  C           0.28366080308485      4.91153356702255     -0.69141872400337
  F          -1.75631938205605      5.86186951999900     -0.01549398662079
  F           2.31298401842564      3.89881590221854     -1.31178704628731
  N           0.45468625325343      5.94239149918238     -1.71693362214193
  O           0.67846111471186      5.56712639444855     -2.84950244939169
  O           0.36042762049717      7.09948899047079     -1.36308472791352
*

