#
#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          -2.75231315629786     -1.14221950893832     -0.86259817538246
  H          -2.05060714805811     -1.70773388790206     -0.23131853301487
  H          -3.31362768026818     -1.88701573546250     -1.44831601861575
  C          -1.99385398734146     -0.32173436590831     -1.81881897587722
  C          -1.53858119691229      0.42036722506285     -2.69126652624778
  H          -1.36720032931874      1.04505742317455     -3.56012262667714
  C          -3.48954018856147      2.09793915341132      0.52374980226920
  H          -3.06333980912225      2.94680115706666      1.06593789128007
  H          -4.29130331623112      2.31438456832020     -0.18857778973973
  C          -3.07454256939725      0.84020485641660      0.73133062365499
  C          -3.72312569867240     -0.30920530855661     -0.00746079262444
  H          -4.20415818600343     -1.00233649409062      0.70113484618057
  H          -4.52164429248363      0.08709587655758     -0.65079219133365
  Au          0.23882161055547      0.03406605500529     -1.42815496882408
  P           2.37392531783004     -0.10456607521614     -0.54007121316591
  C           3.60594926886498     -0.62473881114316     -1.76731233857497
  C           2.98276542753723      1.46440724006380      0.13659352794845
  C           2.47447551575432     -1.31785590644049      0.80419348929557
  H           2.21888992717031     -2.31480179544688      0.41752637148497
  H           3.49366305470340     -1.33465980133032      1.21816002052473
  H           1.76031986332097     -1.05175880306230      1.59525600478386
  H           3.32686103383993     -1.60586112445727     -2.17717964604859
  H           4.59634067545747     -0.69479611367769     -1.29288456365737
  H           3.64601432812627      0.10576503618173     -2.58800339113880
  H           3.05333294741656      2.20870889515246     -0.66963849066420
  H           3.97603933031691      1.31873832787240      0.58697767173797
  H           2.28439957762583      1.83443312902336      0.89957511647433
  C          -1.95707373422679      0.53577895040012      1.67262547087310
  C          -1.92904929422675     -0.65056952817723      2.41996204147785
  C          -0.89369293605618      1.43940331669351      1.84148772415458
  C          -0.88848378099538     -0.91567031246318      3.30757324978470
  H          -2.73819596045714     -1.37923220575383      2.32425788728722
  C           0.14233042081435      1.17601146501207      2.72939857982977
  H          -0.87498408294739      2.36558321340302      1.26081810333469
  C           0.17210296017324     -0.01448350791404      3.47270906482983
  H          -0.89587381401857     -1.84718294489989      3.88103871995623
  H           0.93972789941429      1.91390688665884      2.85146630491827
  C           1.28717064760485     -0.35561094703019      4.38189574834940
  C           2.51193682930430      0.18083042084393      4.35635017771693
  H           1.07036064498877     -1.14341591125905      5.11306292998629
  H           3.27701341392530     -0.14145461278382      5.06816040159371
  H           2.80382840685158      0.94645198559360      3.62965094185968
*

