#
#Opt
#
! optts 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
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.03686912625750     -1.61386409213426      0.22162793020262
  C           1.22375605797832      0.70561253871119      0.81537026569473
  C           0.02733573308615      0.33425984997246      1.03733656028307
  C           0.41766906051803      2.99489013857169      1.61612511751922
  C           1.71980830863115      2.64921156990833      1.81879309995362
  H           2.01131881587422      2.09851150156651      2.71705110115987
  C          -1.12966231737402      1.04454814587864      1.64021567954405
  H          -1.70837930457674      0.39509029745363      2.31194070427131
  H          -1.80770822716023      1.33965690239772      0.82255893221772
  C          -0.63039035945203      2.30194290731975      2.41724944642190
  P          -0.25103214323851     -3.75723183311558     -0.64217167562116
  C           0.25349196821381     -3.88750581394054     -2.38293366947910
  C           0.74015604360895     -4.99595186020336      0.24383775538343
  H           2.21740466053467      0.61754605770787      0.38812064533258
  C          -1.95910683193931     -4.37425542548671     -0.58639831273742
  H          -2.60965932534281     -3.71414974646296     -1.17805291438856
  H          -2.00585113284108     -5.39397950328646     -0.99714006459461
  H          -2.31601693058797     -4.38373507506558      0.45353051799924
  H          -0.36286520542057     -3.21581486375915     -2.99772838837454
  H           0.12831833121176     -4.92189277344251     -2.73700545225754
  H           1.30795869682456     -3.59330707603978     -2.48538846596197
  H           1.80375251319832     -4.72132274279995      0.19506147366054
  H           0.59954161941581     -5.98877007048010     -0.20948579577628
  H           0.43226227909440     -5.02957465364621      1.29882409848686
  H           2.52683129228803      3.08560742729390      1.22392349239939
  H          -1.50227509187445      2.94058375912852      2.61209924807270
  H          -0.21608542625281      1.97600345334172      3.38124965058470
  C           0.00138523842885      3.87082076380195      0.48755131088474
  C          -1.11018164300365      4.71841587505962      0.61746521633579
  C           0.71800479765687      3.86272297740598     -0.71585468118284
  C          -1.47566486094474      5.54894746251960     -0.44014435178071
  H          -1.67789404365271      4.75213571766715      1.54933191967978
  C           0.33812003351352      4.68816097504986     -1.77681768870775
  H           1.57020858863296      3.19500876066799     -0.86125007246448
  C          -0.76402642411593      5.53988373396902     -1.63667166690875
  H          -2.33363049617166      6.21742682988325     -0.33192916754781
  H          -1.06000660941779      6.18708651889416     -2.46778469466015
  O           1.06286826420682      4.61923248134873     -2.91070532265074
  H           0.70658446670731      5.23434915434386     -3.56708934099350
*

