#
#Opt
#
! optts 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
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.45286796251485     -2.36563319901011      0.09317160816545
  C           0.64957182227982     -0.30036316803477      1.50757909888035
  C          -0.55416118582199     -0.55164184605971      1.16776064774719
  C          -0.22155210275294      1.92515658184748      2.28649932159315
  C           0.84362419593259      1.35473610498970      2.91886543602184
  H           0.68075017965804      0.67581931415937      3.75962436360849
  C          -1.79962072782311      0.23018508676423      1.37517307177565
  H          -2.64796025236650     -0.40760836483747      1.66038467329576
  H          -2.06649376727767      0.70313444397912      0.41585216258170
  C          -1.56641404753341      1.31810216705101      2.47305888517456
  P          -0.47737070327188     -4.35543781862881     -1.10322940245834
  C          -1.19282119066677     -4.18592811083200     -2.76479320870447
  C           1.17426263778555     -5.07041547046030     -1.35573915774173
  H           1.72047059599276     -0.47723641862362      1.47237632800013
  C          -1.44777868243311     -5.65756372483136     -0.28759978497509
  H          -2.48763273076956     -5.32160150446041     -0.16540579539502
  H          -1.43134207795255     -6.57764149953797     -0.89106135579702
  H          -1.02473383156098     -5.86562718875657      0.70579350560734
  H          -2.22519914545851     -3.81543017978191     -2.68769666601741
  H          -1.19233084031371     -5.15930046518695     -3.27806001585341
  H          -0.60158720156572     -3.46643885569578     -3.34940705215410
  H           1.79689703576496     -4.36881592380421     -1.92940867638922
  H           1.09566816501031     -6.02028480041315     -1.90586940784927
  H           1.65124505741992     -5.25188105388327     -0.38183399046805
  H           1.86120970057817      1.72895139070981      2.77808073146618
  H          -2.37918675415293      2.05207859838259      2.39316885451235
  H          -1.62542238301126      0.83824741756200      3.45907295294960
  C          -0.03819884291239      2.98859914869393      1.26086217361227
  C          -1.02652056797304      3.96417946493551      1.08300385399214
  C           1.11859404729926      3.02214566610053      0.46998435346487
  C          -0.84380979467335      4.96424995026295      0.14209037184322
  H          -1.94113293957029      3.98365288319912      1.67692119714275
  C           1.27089344718154      4.01136180735371     -0.48426516778017
  H           1.90708274078258      2.27394709710941      0.56410553666888
  C           0.29776664995198      4.99866828559333     -0.65976213510011
  F          -1.78441949816511      5.87971242734044     -0.01934322956414
  F           2.36656413392867      4.03411804861887     -1.22501478415552
  N           0.46927415261433      6.04082759197492     -1.66679816376318
  O           0.86955915356179      5.69823480321484     -2.75538464091980
  O           0.19875951479935      7.17416331299550     -1.34356449301781
*

