#
#Lower level of theory opt
#
! opt freq wb97x-d3bj def2-svp 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          -0.74460489431784     -1.37540695740105      0.77466385490079
  H           0.29642003363577     -1.59222853242663      1.03556230848740
  H          -1.08958445842095     -2.20347759067053      0.15154173894527
  C          -0.82476134615440     -0.06951401838039      0.02970145971348 newgto "def2-tzvp(-f)" end
  C          -1.34189217877928      1.00088815094375      0.63429026281444 newgto "def2-tzvp(-f)" end
  H          -1.40452862168107      1.96739688752076      0.14254427692000
  C          -1.87069930404957      1.03240056324781      2.08413142801367 newgto "def2-tzvp(-f)" end
  H          -1.60988438074382      1.98168306312165      2.54294189717225
  H          -2.96331028566170      0.94663351665167      2.06522057179258
  C          -1.32385630043297     -0.14282247836528      2.78616415117233 newgto "def2-tzvp(-f)" end
  C          -1.61725790410314     -1.39411041818325      2.07277464572174
  H          -1.42861630870414     -2.29713853825352      2.64538505055695
  H          -2.66252670507668     -1.37293678499771      1.75712560916695
  Au         -0.10467484653171      0.00619222484220     -1.90447638992544
  P           0.69581866511241      0.09029727092970     -4.06769744856366
  C          -0.52985468201513      0.62391399689279     -5.29243443809199
  C           2.08951780457341      1.22608384625858     -4.30166513006838
  C           1.29863438391775     -1.49998230318140     -4.69551524729202
  H           0.48808330977837     -2.23098811639711     -4.67162473967834
  H           1.66030321767070     -1.39153659333425     -5.72083782867935
  H           2.11110172255265     -1.85714612239934     -4.05966977773541
  H          -1.37610488867731     -0.06586178571713     -5.28413321230489
  H          -0.08619940654376      0.64314208136120     -6.29076278880846
  H          -0.88973191392984      1.62209782207954     -5.03553552039212
  H           1.78341412177350      2.23754830631050     -4.02742006316198
  H           2.41774158267904      1.21567436642496     -5.34377573199515
  H           2.91717715323424      0.92398647836419     -3.65699253391527
  C          -0.48265308367143     -0.06695384543041      3.91941295359053
  C           0.16988226219629     -1.22353852794637      4.42154517158076
  C          -0.25263835794401      1.16318356682742      4.58258642257230
  C           1.00917673853088     -1.14183882701059      5.50384982004927
  H           0.02503517410499     -2.18280288210793      3.94441634929023
  C           0.57807342182322      1.22955929690201      5.67730300267496
  H          -0.74302167489792      2.06541376721055      4.24513921356745
  C           1.22542495978544      0.08380144907152      6.15303951053524
  H           1.50967860113887     -2.03177468429880      5.86924893539136
  H           0.73522589869050      2.17733686543399      6.17928537054041
  C           2.13768813651100      0.14941872670152      7.33743930682804
  H           2.17799928645383      1.15439538400946      7.75758167579638
  H           1.80156332325769     -0.54791684897112      8.10974799664686
  H           3.14742467491607     -0.15425401563294      7.04611342617076
*

