#
#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          -0.81416698535480     -1.18252872189573      0.19289919627266
  H           0.21396037676677     -1.50008185025872      0.44541879639149
  H          -1.23468590428032     -2.00278282261204     -0.40940689413824
  C          -0.76728002795373      0.10275485056684     -0.60933654957536
  C          -1.08020020008071      1.25394267550808      0.01539555368130
  H          -1.07157057920679      2.20940411961290     -0.52245087521929
  C          -1.43007789393675      1.39427956599339      1.48870936275211
  H          -0.86908305861795      2.23327962994429      1.92023319175821
  H          -2.49931202117361      1.66950917338351      1.58652119181250
  C          -1.24309204278371      0.12904813857790      2.25985691019551
  C          -1.65628851139916     -1.07073643400487      1.48000851557450
  H          -1.62070962545671     -2.00414329863264      2.05156539371231
  H          -2.70644686916179     -0.90422897140700      1.18133689337918
  Au         -0.21535459810406      0.03658011414930     -2.59782128146556
  P           0.40690842607301     -0.03792921826123     -4.85751676435126
  C          -0.92683963650321      0.42090828349721     -6.01093284058306
  C           1.78581074248582      1.07093405719240     -5.29197140406761
  C           0.95365609814147     -1.68180087785378     -5.42215300630692
  H           0.14611546679500     -2.41293865236591     -5.27015664410158
  H           1.22525933610149     -1.65751531200359     -6.48843687592108
  H           1.82663180227199     -2.00006126529995     -4.83342388728470
  H          -1.77996985681924     -0.26012816873543     -5.87629932270498
  H          -0.57759749328637      0.36383634931731     -7.05308481357928
  H          -1.26195983115018      1.44627579858549     -5.79652874617691
  H           1.50957493031160      2.11047177611521     -5.06207587368030
  H           2.03032543814617      0.98889917251226     -6.36190621636458
  H           2.67173337157904      0.80655670791954     -4.69605949139273
  C          -0.72709099176360      0.08225846635483      3.54717859585960
  C          -0.52981490377250     -1.16265946027391      4.24743254484837
  C          -0.36201432109811      1.27434616731126      4.27282241438839
  C          -0.02721734322168     -1.22007887739718      5.51009826603720
  H          -0.78160136568616     -2.10333768415104      3.75754978756160
  C           0.13252272073498      1.23699605173182      5.53948744391255
  H          -0.48951970421546      2.25102209611381      3.80456820612893
  C           0.32779001421571     -0.01800056048826      6.21926531196479
  H           0.10223734230349     -2.19233366583696      5.98287550936051
  H           0.38526174671340      2.17271601951441      6.03582402780980
  N           0.81807771326730     -0.06576801771270      7.45434110428761
  C           1.02416901903046     -1.34517651338572      8.12602655566807
  C           1.16731477177879      1.15771451274084      8.16989963191534
  H           1.45765103939277     -1.16307382708969      9.11410841592326
  H           0.07185818571099     -1.88019763257133      8.25770275850679
  H           1.71648844158749     -1.98197918147345      7.55608163375762
  H           1.51765051737273      0.89422954523606      9.17263200576722
  H           1.97137276214833      1.70220461962780      7.65258046181992
  H           0.29387307942298      1.81824241301838      8.27100538031167
*

