#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 16 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          -1.78756158634389     -1.31459082089883      2.78281007679088
  H          -1.17703168540047     -1.90195506264304      2.09537117253202
  H          -2.60622854376923     -1.95622754298148      3.11626098037500
  C          -2.36633803829025     -0.17811698009136      2.05122488494755
  C          -2.88115990062014      0.82889836189404      1.59391163380482
  H          -3.43864192865621      1.71986608021128      1.37882512422542
  C           0.02051152734292      1.40164648431201      4.35768213899549
  H           0.72826489331148      2.19676302847319      4.14810500146045
  H          -0.66925983724106      1.55335091587132      5.18170307184787
  C           0.00803913032045      0.26946755828375      3.65749596751060
  C          -0.95728389353844     -0.84309695303680      3.99049655441446
  H          -0.42060981897755     -1.71477251293730      4.37479342445977
  H          -1.62714867601542     -0.49802663221333      4.77909989173967
  Au         -1.63001871180535      0.09406315079683     -0.11332859735952
  P          -0.73423735157529     -0.25850358449803     -2.18714733104110
  C          -2.02524444161715     -0.38233443357813     -3.44499040321391
  C           0.37479482366624      1.04403842042396     -2.76049015638708
  C           0.19685918503207     -1.80233051844682     -2.29205743772876
  H          -0.46535959773692     -2.63856685654167     -2.06134777472573
  H           0.59688593419452     -1.91917522358101     -3.30193926099423
  H           1.01584010157991     -1.79040157368311     -1.57269634101541
  H          -2.70346627529428     -1.19914330486656     -3.19274003018469
  H          -1.57054345417675     -0.57121979260665     -4.42028135369242
  H          -2.58968142224332      0.55105009376050     -3.47992579705585
  H          -0.15252254819900      1.99944291142685     -2.75359218895869
  H           0.70659648241406      0.81629400110600     -3.77621157629279
  H           1.24130727676647      1.10835192691084     -2.10287678688547
  C           0.93570495642867      0.07051341339543      2.51074235749888
  C           1.49911874268737     -1.18218946928682      2.25232818189391
  C           1.24471300156969      1.13752812734494      1.66172564703499
  C           2.37497166860212     -1.36420033219981      1.19474921363520
  H           1.26574624303980     -2.02549638744720      2.89121753572506
  C           2.12082704982751      0.97431435787151      0.60221827377077
  H           0.78554887997006      2.10452731537873      1.82694295701592
  C           2.67478030986814     -0.27765579856258      0.38880332129013
  H           2.81916091540781     -2.33048410856558      0.99797824675934
  H           2.36557370235146      1.80133342160001     -0.04993948700460
  N           3.59313326074033     -0.46543279081921     -0.74421352727457
  O           4.12128820903916     -1.55378775850267     -0.87980655772162
  O           3.77739168577551      0.47772682408580     -1.49345775451581
*

