#
#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          -1.69677793233588     -1.64817491356144      0.41506655766520
  H          -1.28937044495734     -2.58516766393251      0.00714540334287
  H          -2.70467478767096     -1.56511400253423     -0.04208166402029
  C          -0.93028491668648     -0.46857229947600     -0.07145588608766
  C          -0.85534645630901      0.50810897746836      0.94991457547461
  H          -0.13975270787872      1.33189600631891      0.92507720902094
  C          -2.21218970449024      0.83580218523855      1.65842220659764
  H          -2.21552040062557      1.86019890590223      2.03709507358027
  H          -3.12539040286547      0.52026931669637      1.14764530382251
  C          -1.35743271388100     -0.15092040842679      2.29899695976437
  C          -1.69378539609284     -1.59769344762872      1.94983600422008
  H          -0.91833163549459     -2.26904463385478      2.34555017126896
  H          -2.65385692542552     -1.89697016444568      2.39502486930069
  Au         -0.08038822068891     -0.30056079444304     -1.91040024132563
  P           0.89856615962982     -0.09070930462184     -4.03739944388677
  C           0.35691154213014      1.39513987811208     -4.93496745215188
  C           2.71273964387609      0.01784873248211     -3.97992135066423
  C           0.53499459613096     -1.48308155140207     -5.14824716433286
  H          -0.55238964066886     -1.57260522400017     -5.28531938977905
  H           1.01339189498819     -1.32708217496532     -6.12687257376999
  H           0.91216620596937     -2.41633192533420     -4.70535637942168
  H          -0.73331351952891      1.36517961723138     -5.07516371617868
  H           0.84870775560694      1.44660697501543     -5.91789922316466
  H           0.61308600271987      2.29185889205799     -4.35235056573293
  H           3.01169324979758      0.88813807078116     -3.37789128366638
  H           3.12112645419309      0.12098180649753     -4.99651861490882
  H           3.12308403658658     -0.89021415451081     -3.51490347674374
  C          -0.60744273749568      0.15326393810876      3.55784370422333
  C           0.67924858441733     -0.37102969134342      3.74245509549082
  C          -1.18125294780447      0.93334377119588      4.56707283644897
  C           1.38628117287207     -0.11808915712083      4.91010235846663
  H           1.13752459766401     -0.97556066312906      2.95524508209648
  C          -0.48463815401265      1.19340182717919      5.74324497652457
  H          -2.18742391059275      1.33914857576321      4.43869528853918
  C           0.80169189013017      0.66789110006797      5.91421502168640
  H           2.39101309044825     -0.52282404808591      5.04758258519218
  H          -0.93638477451540      1.80083287133260      6.53000348543832
  C           1.53083180910443      0.93852262115201      7.12719330972753
  N           2.11738264375639      1.15618546421511      8.10049848794270
*

