#
#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 "TSEG4_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 "TSEG4_LLT.hess" end

* xyz 1 1
  Au          0.14388173656411     -2.68877969349981      0.48885456234005
  C           1.08277139790682     -0.42094322219737      1.66845578376807 newgto "def2-tzvp(-f)" end
  C          -0.09196092445487     -0.80473220232526      1.39801280930642 newgto "def2-tzvp(-f)" end
  C           0.08246877619877      1.76549481128215      2.24636265484956 newgto "def2-tzvp(-f)" end
  C           1.19743886241623      1.38435656314113      2.91754155252960 newgto "def2-tzvp(-f)" end
  H           1.11335075530630      0.79644675692660      3.82541212077823
  C          -1.39307021637847     -0.11398629487297      1.58347637700691
  H          -2.16922862098076     -0.79359427126813      1.96178861327590
  H          -1.72749187052100      0.24579222312240      0.59733930288365
  C          -1.20289305230704      1.08349986863286      2.56495214684085
  P           0.28846430522373     -4.75282089863233     -0.50992153988320
  C           1.78722805218881     -4.96494867174474     -1.51375838633666
  C           0.30555331357459     -6.12577461199328      0.67888810599364
  H           2.15342179428025     -0.50722760850962      1.61174930268323
  C          -1.09735559052738     -5.10411755556065     -1.63005803003734
  H          -1.12869617908719     -4.34548626212511     -2.42648419303914
  H          -0.97563738175199     -6.10231507104918     -2.07875300929803
  H          -2.04222337381690     -5.06838238750602     -1.06730953255697
  H           1.80798989481075     -4.20419576534909     -2.30851374087406
  H           1.79958885647562     -5.96871397403328     -1.96644869501863
  H           2.67595719096487     -4.83924544896594     -0.87736677088671
  H           1.17016387616517     -6.01976334895360      1.35105104403156
  H           0.37162705277165     -7.08653346022811      0.14477217119544
  H          -0.61632017182197     -6.10301974112577      1.27915005505480
  H           2.16856991746300      1.81218898804170      2.69170371934700
  H          -2.06916674860837      1.74983168200570      2.46234416811637
  H          -1.17363578584280      0.69801291470986      3.59253471279495
  C           0.14507896915305      2.69134614003902      1.08499063395392
  C          -0.93126169319859      3.54803592880603      0.80340832960696
  C           1.27405576638912      2.72566547620064      0.25265779425696
  C          -0.87399308072835      4.42675676166071     -0.27459505546157
  H          -1.81728014903967      3.54865541391890      1.44098666321301
  C           1.33179777926198      3.59663237937369     -0.83368555495241
  H           2.11354492663010      2.05230943409102      0.43940080563414
  C           0.25736072702215      4.44797552514021     -1.09515658671270
  H          -1.71457377929275      5.09634080669117     -0.47600378571246
  H           2.21300653813544      3.60707780550363     -1.47843993413822
  C           0.28311090466051      5.39852398923601     -2.26544551161588
  F          -0.70756036039046      5.13546359268814     -3.13737614066281
  F           0.11530836579895      6.67308894976751     -1.86911889876773
  F           1.43569821938659      5.34331647896123     -2.94787606350669
*

