#
#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          -2.12223369233330     -1.12556403755200      0.16762462282883
  H          -1.95935683132888     -2.08548336395718     -0.34349159529908
  H          -3.08945426504415     -0.75655365264931     -0.23297349821715
  C          -1.10649244296561     -0.10975052019132     -0.22888857715096
  C          -0.82416660511037      0.73939319305445      0.86377649486353
  H           0.05476894027577      1.38599140669786      0.89317325281538
  C          -2.06158232937101      1.26975059299277      1.66031569034008
  H          -1.83716510595315      2.22663068058107      2.13670475346209
  H          -3.02922407970585      1.21084208839507      1.15571006004392
  C          -1.43393080363550      0.06496664489001      2.17259555320003
  C          -2.07971074201201     -1.23288844381057      1.69790855238817
  H          -1.45787261888414     -2.08934436263302      1.99545515156016
  H          -3.07219900312543     -1.36587513446297      2.15319593725137
  Au         -0.19941821278836     -0.00895579829706     -2.04588671763397
  P           0.86582285589074      0.10488195887558     -4.13771905351637
  C           0.13968498778731      1.34383743695786     -5.25333791999161
  C           2.62814992161964      0.53850072464293     -4.02518605881779
  C           0.81458193215963     -1.45861495093213     -5.06448700939064
  H          -0.23164849039886     -1.74769925757018     -5.24097188717162
  H           1.32824959418592     -1.34715505320180     -6.03128979212123
  H           1.30603825243675     -2.25135462003474     -4.48202412459728
  H          -0.91830199329460      1.10493665118756     -5.43426105935004
  H           0.67968637780112      1.35313018825030     -6.21206972953970
  H           0.20252425157840      2.33954473302095     -4.79097960361814
  H           2.73695550757152      1.51720545950830     -3.53585422764431
  H           3.07462477908704      0.58257557749277     -5.02996157438169
  H           3.15758812297272     -0.21601738385350     -3.42551922856051
  C          -0.60759573235115      0.07452927134766      3.41887467463832
  C           0.53773267073115     -0.72810671416748      3.50290025311205
  C          -0.96909257342767      0.85489721395898      4.52129197566507
  C           1.31265599580972     -0.74871963644010      4.65723614347266
  H           0.83699738974603     -1.33950863911572      2.64679510126029
  C          -0.20459948847183      0.84259555917358      5.68698628904535
  H          -1.86600097514945      1.47807373454056      4.47973958607725
  C           0.93235779300128      0.04082976161931      5.74291614068973
  H           2.20965375902167     -1.36842412029745      4.71461941684360
  H          -0.49193821137507      1.45188893604870      6.54625205831270
  Cl          1.89874012504993      0.02370391593027      7.19063760913150
*

