#
#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          -1.66958664455618     -0.75413384270124      0.47592063622004
  H          -1.02262405931010     -1.62137523029664      0.69259615112419
  H          -2.43152547942423     -1.10893486681819     -0.23482799259161
  C          -0.84463553584624      0.36253634894338     -0.10411200542238
  C          -0.61349982855845      1.46768890695801      0.62165777364341
  H           0.02235335798318      2.28566746811911      0.26660549656585
  C          -1.18187854924145      1.73077900699167      2.04036548803539
  H          -0.46263852424350      2.31992961272105      2.61798597152795
  H          -2.11480950260664      2.31116050508679      1.94937051317102
  C          -1.47455729624141      0.40720777149296      2.60597387963798
  C          -2.42847652629347     -0.35302628603007      1.79251919869218
  H          -2.83793199235940     -1.24475903356723      2.27669814605112
  H          -3.25267078425132      0.31379908759320      1.50117142413515
  Au         -0.06746532803055      0.11820540821230     -2.00614100993190
  P           0.80237252219496     -0.16245828308644     -4.16149099282115
  C          -0.09503271240803      0.76639930687000     -5.44539552507723
  C           2.53623055610015      0.36566747481849     -4.33768310065117
  C           0.78529949545313     -1.88710032505907     -4.74615175174395
  H          -0.24680018133954     -2.26702420806901     -4.74594187597809
  H           1.19613673927146     -1.95412762326269     -5.76491258690232
  H           1.38823115748861     -2.51221950349692     -4.07137447028577
  H          -1.14487103144352      0.43960879211358     -5.47070363500503
  H           0.36063400108961      0.60198312054853     -6.43359961837776
  H          -0.06951280276242      1.84018357845431     -5.20893791674685
  H           2.62704210865823      1.42988292760638     -4.07554517745959
  H           2.88318814977986      0.21611531704085     -5.37136940297225
  H           3.17024471627586     -0.21886857208231     -3.65504543801163
  C          -0.75920576106437     -0.16072483405469      3.71102917769202
  C          -0.91376049511690     -1.53140147838939      4.04340561946200
  C           0.13138002845228      0.62182958981046      4.48643547130602
  C          -0.19741175798624     -2.09769998539285      5.08714105920871
  H          -1.59169961029483     -2.16315699349933      3.46850687728217
  C           0.83415230935777      0.05369373255137      5.53806859230099
  H           0.26793700490523      1.68519196718209      4.28033501063571
  C           0.67268797904543     -1.30815392695173      5.83534697218527
  H          -0.32084937460125     -3.15637797086645      5.32206572035562
  H           1.23887101114923     -1.73460792775313      6.66781649252584
  C           1.76013806283808      0.89225806410662      6.35097955496096
  O           2.40956799088046      0.46311753452928      7.27178002975365
  H           1.81560670705652      1.96358100962696      6.04697471350544
*

