#
#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          -0.57972324307661     -1.22784143016222      2.80317468474303
  H           0.02916227639857     -1.74833522025630      2.04886635013731
  H          -1.01986404330140     -2.01042907996348      3.44095250506659
  C          -1.69565798562531     -0.53833297234251      2.14003753382064
  C          -2.69595883245470      0.08509869006644      1.78026757201901
  H          -3.65452672551258      0.58401109731986      1.69784581772929
  C           0.57401596957532      2.15046093562599      3.27774143906013
  H           1.00933551603988      3.01922732593107      2.77584952751926
  H          -0.09288177606778      2.34751627287101      4.12225456515251
  C           0.85865984801571      0.89509758127967      2.90409922278806
  C           0.27653528768572     -0.27906068199516      3.65968276704095
  H           1.07996394042258     -0.88467781498818      4.10867419857402
  H          -0.33085117826635      0.10086923318326      4.49345644745534
  Au         -1.54517843251469     -0.06525481055690     -0.10294193956800
  P          -0.92878512871833      0.02078843894436     -2.33508135575360
  C          -2.28885105278882     -0.50005767086398     -3.41868579704824
  C          -0.45987793457116      1.68144228349281     -2.89306585165794
  C           0.46627786202249     -1.06524702205382     -2.74043496167062
  H           0.21593587959979     -2.10299298024393     -2.47830012245630
  H           0.68305700210588     -1.00115215066127     -3.81723078851869
  H           1.35607356222502     -0.75901989733177     -2.17348614260911
  H          -2.57674390847105     -1.53350202420621     -3.17830196721543
  H          -1.96955160294141     -0.44503956956087     -4.47025042796698
  H          -3.15713835202102      0.15676282544331     -3.26608787510125
  H          -1.29880932515817      2.37445787658325     -2.73671758639290
  H          -0.19920254508604      1.65659121342640     -3.96171436625863
  H           0.40525761237336      2.03438993198147     -2.31484325579273
  C           1.73837860067499      0.61292576934381      1.73099343658325
  C           2.54711343948505     -0.53258969477058      1.68632188599934
  C           1.77441691287802      1.48601062592948      0.63134197171984
  C           3.36985995880641     -0.79927206539720      0.59441078782498
  H           2.55336280486760     -1.23555286624372      2.52255018404089
  C           2.59825646683478      1.23973809317427     -0.46275666064800
  H           1.13710566470997      2.37393238805997      0.62084418905735
  C           3.38868105648113      0.09220917419748     -0.47432127360077
  H           3.99232911847614     -1.69614901979021      0.57623921397477
  H           2.61821324325315      1.92799118628166     -1.31038330058875
  Cl          4.38565953364384     -0.24768350174727     -1.86254382745861
*

