#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.67218964588093     -1.16175740921508      2.52683622814117
  H          -0.85597866751567     -1.72270083495576      2.04874641258908
  H          -2.36995052041337     -1.91126860138486      2.93189693853764
  C          -2.40019068189250     -0.40297778920435      1.49964174370443
  C          -3.12722573998623      0.29788306800700      0.79343798663439
  H          -3.92757518623364      0.88685632308551      0.36114527253035
  C          -0.69685257694706      2.16321715285257      3.57797129749464
  H          -0.11317291743054      3.04625537928792      3.30179841955613
  H          -1.58733343061675      2.32832889156522      4.19183855138431
  C          -0.33401584820273      0.92615216780765      3.20587424374223
  C          -1.14460113592328     -0.26789221168496      3.66355436483866
  H          -0.53904544460103     -0.91174496724984      4.32213180469028
  H          -1.99244696396143      0.08740464400564      4.26657041707326
  Au         -1.40532882955860     -0.07883937932418     -0.54899640164915
  P          -0.06038759230059     -0.17516119230529     -2.43433800102390
  C          -0.96987875197598     -0.83295931756770     -3.86202031443546
  C           0.56162417671258      1.44756804663718     -2.95422888027587
  C           1.39199452095078     -1.24693768230816     -2.25398599006265
  H           1.07414783539146     -2.25548872683051     -1.95386794968925
  H           1.92812482677671     -1.30202644608901     -3.21337878520089
  H           2.06497991342600     -0.84118600212326     -1.48671212065776
  H          -1.30624977890221     -1.85673582831292     -3.64391234964430
  H          -0.31696897293905     -0.84462125618902     -4.74778341484669
  H          -1.84903313415925     -0.20563605818777     -4.06704520285358
  H          -0.28684994137046      2.09850896488564     -3.21016843834044
  H           1.21428197664766      1.33615638328332     -3.83291540598744
  H           1.12477217564126      1.90879210257485     -2.13115008671272
  C           0.83847254872310      0.67686785012777      2.32225536085427
  C           1.58004651569007     -0.51231654531155      2.39074067213402
  C           1.24879299207968      1.61763153160865      1.36378134362086
  C           2.66628881203867     -0.75740845296045      1.55921073344944
  H           1.31654602390005     -1.27890002564432      3.12490611714832
  C           2.33543446319398      1.39756894816874      0.52764215357767
  H           0.68978883507719      2.55112587959296      1.25208413490768
  C           3.07465108049714      0.19211724738834      0.59371448689562
  H           3.19995758515111     -1.70220807723623      1.66491068254323
  H           2.60000114348546      2.16826540792070     -0.19705865235409
  N           4.11525778192322     -0.05854378517122     -0.26577694159035
  C           4.51384566420851      0.93924253367789     -1.23351739572406
  C           4.82141111491425     -1.31913963809604     -0.19927292939565
  H           5.36984449010031      0.56364730773260     -1.80642510178642
  H           3.70610764530520      1.17100708707763     -1.95129300333198
  H           4.82088152694632      1.88483671472943     -0.75364872033294
  H           5.59440805051107     -1.34172913440711     -0.97635503823198
  H           5.31920039765463     -1.46759033250783      0.77525943134367
  H           4.14878826386485     -2.17848576774983     -0.36997491326377
*

