#
#IRC LQA looser settings
#
! irc wb97x-d3bj def2-svp def2/J defgrid1 tightscf
%pal nprocs 12 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "TSEG19_LLT.gbw" end
%irc
printlevel 1
method lqa
maxiter 274
tolrmsg 5.e-6
tolmaxg 7.e-5
follow_coordtype massweighted
lqahess lqacalc_bofillupdate
init_displ length
scale_init_displ 0.05
adapt_scale_displ false
scale_displ_sd 0.19
ENFORCESTRICTCONVERGENCE true
BSCORRECTOR true
BSRICHTHRESH 2E-6
INITBSCORRECTOR false
inithess read
hess_filename "TSEG19_LLT.hess" end

* xyz 1 1
  Au         -0.07690054735905     -2.60931581785901      0.14765608449765
  C           1.21749862663707     -0.48604049882090      1.35159487844610 newgto "def2-tzvp(-f)" end
  C           0.00317020498016     -0.85966639238773      1.30574060929959 newgto "def2-tzvp(-f)" end
  C           0.46616644753361      1.56856642049033      2.38355142161625 newgto "def2-tzvp(-f)" end
  C           1.68764530961736      1.07487126081285      2.71595749358505 newgto "def2-tzvp(-f)" end
  H           1.78636246051553      0.39539569626703      3.55562899651472
  C          -1.19579107967789     -0.19159945915923      1.87230568674479
  H          -1.88105613851639     -0.90533182865689      2.35016946746378
  H          -1.74457924328890      0.27771861642369      1.04031568811901
  C          -0.74818180902335      0.89122708622942      2.90657646042201
  P          -0.26792553510495     -4.52361294255803     -1.11061939212828
  C           0.02125973833420     -4.25163086325211     -2.88304566784456
  C           0.89729247438771     -5.83000218642060     -0.62615090295898
  H           2.23172590242224     -0.58009608075599      1.00230914449197
  C          -1.91454548641252     -5.28224063379128     -1.00133735964102
  H          -2.67283117958612     -4.56672302123390     -1.35302097247532
  H          -1.95344503703124     -6.19161280636659     -1.62104181213782
  H          -2.13001039941126     -5.54297576913697      0.04571672481378
  H          -0.70329937505211     -3.51692788370260     -3.26496012424003
  H          -0.09177417583243     -5.19841888433107     -3.43397427239054
  H           1.03824861191921     -3.85949239700962     -3.03349656841845
  H           1.92849767406615     -5.46402169087615     -0.74151798619960
  H           0.75110075531071     -6.71925726400439     -1.25901623600401
  H           0.73087254488231     -6.09882500852032      0.42770172324555
  H           2.59944044398943      1.51015139274126      2.31982982433664
  H          -1.58495717143416      1.58509740315971      3.05950805783250
  H          -0.51461885897911      0.39808158336699      3.85873610948491
  C           0.31729901007789      2.64253325482774      1.36467285819828
  C          -0.68322118612129      3.60865922223427      1.50555194602206
  C           1.16974563501094      2.70431021255180      0.25673327022849
  C          -0.82109144972844      4.64137652958826      0.56957154580674
  H          -1.36252731733000      3.58824404650562      2.35895503268873
  C           1.02504854892337      3.70931164392230     -0.70572542520475
  H           1.95203820391066      1.95762653928399      0.11297166488710
  C           0.03052855561461      4.67976659754974     -0.53864712626109
  N          -0.12613675478612      5.74611313514065     -1.54353281425542
  O           0.05949373274166      5.44532492888152     -2.70089008052506
  O          -0.43009435584225      6.84523361856935     -1.13940849314662
  C          -1.87376889239885      5.60881578897569      0.78320206016286
  N          -2.74717640573789      6.32781870461896      1.01986870654137
  C           1.93536238611424      3.70205340930130     -1.82851485400965
  N           2.71171325417427      3.63050933251490     -2.68177451414376
*

