#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.05936062809590     -1.04015039926800      3.01013426768257
  H          -0.32253787968064     -1.58707913845070      2.41818283572509
  H          -1.29929288293265     -1.65081075637065      3.88433546543498
  C          -2.30133620378915     -0.89739952541041      2.24029234216516
  C          -3.42233131904359     -0.77832444982930      1.77398194196369
  H          -4.47385882184396     -0.74435001535575      1.56358825077744
  C          -0.73730514562233      2.19750658684137      1.85761719122101
  H          -0.41335531323682      2.81444422046451      1.02667801322780
  H          -1.65940314317229      2.48215830498881      2.35277101123291
  C          -0.03259526903839      1.15392823328847      2.29436456968929
  C          -0.51313927862701      0.32676957004413      3.45810345962645
  H           0.29017068119669      0.14714196204605      4.17408808173238
  H          -1.29748512867762      0.87126625183136      3.98456056416633
  Au         -2.15509827733495     -0.29547180477290      0.00284049420219
  P          -1.61117217425718      0.02679198411025     -2.19892798256582
  C          -3.01321198929170     -0.39155461089626     -3.26023606066268
  C          -1.15616631551058      1.70775374322400     -2.67837249334107
  C          -0.26543729850418     -1.05398301713428     -2.73059715104475
  H          -0.60065949032965     -2.09046942167673     -2.65791591903225
  H           0.00766853498950     -0.82841749499151     -3.76369010661027
  H           0.59999284417546     -0.92024394891454     -2.08308301086639
  H          -3.32015253624519     -1.42143673077706     -3.07203496632851
  H          -2.72258669390116     -0.28106615213915     -4.30769807978520
  H          -3.84831315813550      0.27595031534973     -3.04115110713583
  H          -1.97255495420616      2.38592986477218     -2.42371589304302
  H          -0.98038573486185      1.73625435313724     -3.75625378464500
  H          -0.25247933939971      2.02777734865790     -2.16158678731682
  C           1.22775478036764      0.74626605885577      1.61298152066003
  C           2.25880881885353      0.11056657923968      2.29976599325935
  C           1.40115557740512      0.99470007703919      0.25351915439381
  C           3.44765059892090     -0.23316891978259      1.65808418369471
  H           2.16810590598877     -0.12121492960236      3.35238733546235
  C           2.57184440300920      0.64231180024260     -0.40742700074651
  H           0.61362536019380      1.46761523488852     -0.31318742462549
  C           3.59995648217281      0.03280176897273      0.30289517746497
  N           4.84233420840057     -0.34235552043426     -0.38681181965627
  O           5.88261034019810     -0.18401419269826      0.21610326219214
  O           4.73780416617588     -0.78256440176002     -1.51319725775424
  C           4.46044885455597     -0.90016677115570      2.43631930459707
  N           5.21178783882311     -1.44556573881211      3.11168638629569
  C           2.65559665856072      0.95285296687995     -1.81192885012279
  N           2.61997300175032      1.24051573535806     -2.92300071158449
*

