#
#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          -2.78998147301673     -1.07479656302475     -0.95689302279063
  H          -2.12532833691721     -1.69949812973656     -0.34229579751548
  H          -3.33266858100713     -1.76234968989715     -1.62426764578285
  C          -1.97465217549189     -0.19525129349026     -1.80720917199485
  C          -1.46773604945469      0.60961401982991     -2.59047055627162
  H          -1.24816370819616      1.31228590763946     -3.38563471676669
  C          -3.68766523847028      2.07450878184536      0.62011243037470
  H          -3.30250230410388      2.90527946322438      1.21845487731243
  H          -4.51991129798674      2.29207983161799     -0.05600963938743
  C          -3.18587554720410      0.83523020764487      0.71943336557359
  C          -3.79047530328789     -0.29699431737225     -0.08291431921642
  H          -4.26711004072512     -1.02965651051775      0.58879601010472
  H          -4.58893129884762      0.10849855122531     -0.72065008555402
  Au          0.26319061719117      0.03664836294351     -1.33023531842529
  P           2.41691845692558     -0.21201128476194     -0.51112769272324
  C           3.56586703910944     -0.73251834670653     -1.81739454213857
  C           3.10650352046712      1.32352657511140      0.16507256439801
  C           2.57423713150132     -1.46678506371015      0.78999831072282
  H           2.20877177525254     -2.43283008568002      0.41345102718220
  H           3.63209345095880     -1.56344656119863      1.07719184442135
  H           1.98492178045880     -1.18528216729727      1.67292374946567
  H           3.24262884953808     -1.70000271124423     -2.22751163574185
  H           4.58074014242260     -0.83129081322071     -1.40370427093532
  H           3.57270720334351      0.01203366792797     -2.62631939083040
  H           3.16158524546488      2.08027653062930     -0.63076411103038
  H           4.11534838077906      1.13907448945732      0.56360014260060
  H           2.45602689298023      1.69991847303555      0.96627777324070
  C          -2.01702842785030      0.52954682436061      1.59363887034110
  C          -1.87734212004752     -0.72002671285985      2.22461307322202
  C          -1.00409937587372      1.47376491066881      1.80273728544483
  C          -0.78275522272785     -1.00648424197391      3.02717338087147
  H          -2.64566005874690     -1.48727623651288      2.09629134362086
  C           0.09833766823152      1.20645175180711      2.61529214573995
  H          -1.06228986110343      2.44581336495907      1.30550351355924
  C           0.21851971056016     -0.04528225439897      3.22828440999776
  H          -0.68054571774444     -1.97924588009332      3.51388613162388
  H           0.86060588447847      1.97526283940496      2.75018332097310
  O           1.26399998693702     -0.42186747868680      3.99262780708462
  C           2.29316729380694      0.50789849156857      4.25261162752367
  H           2.80560250333066      0.81992708008378      3.32677093264189
  H           1.91057948980287      1.40084999085577      4.77420750654152
  H           3.01634436526280     -0.00079768345707      4.90198672252230
*

