#
#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         -0.01751893103363     -1.58653658588368      0.22680800025165
  C           1.23573076410347      0.74998710334089      0.79051300563661
  C           0.06905128680782      0.35075100043653      1.05994702773420
  C           0.46324578772956      2.98467317401859      1.62293918851673
  C           1.77265566252014      2.67093104602137      1.78033941366609
  H           2.10335322548274      2.13511442366758      2.66275441231628
  C          -1.06452678688254      1.03267960067467      1.72953474856023
  H          -1.58117197651868      0.37325715060395      2.42746217794061
  H          -1.78416106427494      1.32326272854078      0.95941432699869
  C          -0.53613725586873      2.29374178217974      2.48204559297411
  P          -0.24535200703857     -3.69670929467901     -0.63571777579478
  C           0.27144659808988     -3.83017876545295     -2.36377301868570
  C           0.71563548794901     -4.94696172124502      0.24977616448480
  H           2.19257885341345      0.68095675531436      0.30654642614023
  C          -1.95250602971667     -4.29236649144478     -0.60028339978527
  H          -2.58491992425490     -3.61918194938248     -1.18177066116343
  H          -2.00425969714709     -5.29836767306102     -1.02311641073742
  H          -2.31012164655889     -4.31126953142928      0.43074906433135
  H          -0.32326405151714     -3.14876800611786     -2.97471215848228
  H           0.13029628261874     -4.85460867298263     -2.71624585690147
  H           1.32434169122595     -3.55614854478857     -2.45085489514366
  H           1.77543399705210     -4.68976437870596      0.20554416230868
  H           0.55855058032775     -5.92799975567205     -0.20474200974203
  H           0.40149266754953     -4.97427210043400      1.29468381775258
  H           2.53891920194924      3.10518545965324      1.14809509660901
  H          -1.39377566493806      2.92461593830136      2.71420618443702
  H          -0.06874932633938      1.97351445093594      3.41348588355107
  C          -0.01304997825819      3.83394295676256      0.50282942777599
  C          -1.12961934798424      4.65372491542929      0.66060632939137
  C           0.65408010769622      3.82771961773513     -0.72746861300467
  C          -1.55207001067410      5.46194302229952     -0.38936249753557
  H          -1.65944529928089      4.68600362591133      1.60512295891574
  C           0.23298043760943      4.62084106772669     -1.78712263000003
  H           1.50712584651026      3.17286731115861     -0.86966479215479
  C          -0.88041483721643      5.44460644501830     -1.60203572333914
  H          -2.41365127247432      6.10751967304819     -0.25643663422105
  H          -1.22217897576815      6.07243971009043     -2.41945194638025
  C           0.95245497755392      4.59549418313532     -3.11083527463412
  H           0.27079401644832      4.31671844796623     -3.91900777515342
  H           1.35711853339646      5.58271492212936     -3.35072703051355
  H           1.77827108269755      3.88181116408129     -3.09698399954243
*

