#
#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          -2.91849268923660     -0.86782594853067     -1.69050044299488
  H          -2.37490972542944     -1.67038488097784     -1.16913307337005
  H          -3.63805557618335     -1.36318376871758     -2.36139846795405
  C          -1.98752936841312     -0.12313531495267     -2.54914657425732
  C          -1.36921733280789      0.57923417301061     -3.35114753832225
  H          -1.04446776216233      1.18923733044282     -4.18613659313033
  C          -2.68123657343386      2.14320826639068      0.12946373044146
  H          -2.07640614452134      2.75532553015066      0.80334927001264
  H          -3.22889286208101      2.67382163220417     -0.65464023305388
  C          -2.78311782979026      0.81102420939551      0.24895428864120
  C          -3.67166387624290      0.04358960518645     -0.70509537711671
  H          -4.38311116949804     -0.58845486675802     -0.15219481560193
  H          -4.27411200467412      0.76038249445186     -1.28046845533004
  Au          0.18976056609552      0.07393210375576     -1.86326461654981
  P           2.16787492749178     -0.23888821906192     -0.70249582235396
  C           3.56048135229258     -0.61858510813262     -1.80281771239429
  C           2.68331565643041      1.20823559533861      0.26031165458437
  C           2.05693177957272     -1.63793744822431      0.44732464374494
  H           1.83930335802093     -2.55369614326845     -0.12089682257281
  H           3.00931579888191     -1.75783408415791      0.98435014817309
  H           1.24704757288730     -1.46691287367254      1.16932134544089
  H           3.34099839801866     -1.53050777502328     -2.37629172560995
  H           4.47281976916243     -0.77181370413577     -1.20707200069292
  H           3.71904586784747      0.21301718317648     -2.50423275929819
  H           2.88568820749947      2.04208294111766     -0.42728559007482
  H           3.59414790908754      0.97692157853114      0.83197618918462
  H           1.88327897049141      1.50721721617433      0.94967367783859
  C          -2.03843920819392      0.05325023068498      1.30243541855012
  C          -2.42370127653230     -1.24015659929310      1.68151437014906
  C          -0.93737607747772      0.62713133160457      1.96090770827658
  C          -1.75145208401665     -1.93053448325801      2.69152491834052
  H          -3.27520605808766     -1.72400211508331      1.19881542880834
  C          -0.27957479307146     -0.05610720765358      2.97770177697116
  H          -0.59126223848143      1.62271651499866      1.67954010955368
  C          -0.67969425141692     -1.34293601776342      3.35145272941397
  H          -2.07762336275927     -2.93536204552096      2.96953975148140
  H          -0.15704833333491     -1.87682750658837      4.14871085157803
  C           0.90089113227381      0.56442171766982      3.67753035649726
  F           1.05597433889603      1.85939498756280      3.37642658307016
  F           2.05239030433886     -0.05006475701787      3.35155697998933
  F           0.79024013855767      0.47846500594463      5.00873379993680
*

