#
#Opt
#
! optts 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
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.07135195967405     -1.85665930027028      0.21119901495669
  C           1.18828445744179      0.35990882836259      1.05288669699379
  C          -0.03165218671790      0.02864034629838      1.17062542354336
  C           0.37464238059833      2.65240000783280      1.91663959002452
  C           1.64568430878379      2.26695165526310      2.22246687956493
  H           1.83711894198685      1.65973316670967      3.11072062513630
  C          -1.21255766456584      0.73142330584218      1.73416487194738
  H          -1.84023001667136      0.05845840169113      2.33528025712380
  H          -1.83408198546457      1.07784563442284      0.89212709760614
  C          -0.74342586116333      1.93763011714817      2.60267240051460
  P          -0.27287641755177     -3.93371870834398     -0.80413381245202
  C           0.33432439862867     -3.96093987639848     -2.51649998717305
  C           0.63900192654363     -5.24844139755055      0.05688186840111
  H           2.21239905272243      0.27953719495913      0.70463601192490
  C          -1.99235506341203     -4.51458641724351     -0.89141020619585
  H          -2.59494354074631     -3.80181525478531     -1.47262583406002
  H          -2.03224878265007     -5.50248866626849     -1.37432497146696
  H          -2.41118469863554     -4.58762899695959      0.12259707873670
  H          -0.23354658497348     -3.23840624854669     -3.12022389081696
  H           0.21511003065893     -4.96724851909650     -2.94566377532636
  H           1.39730918923390     -3.68064030884842     -2.53640344093643
  H           1.70931663450881     -4.99825944540518      0.08442536742481
  H           0.50262217357031     -6.20813886825572     -0.46391049520129
  H           0.27019476252440     -5.33817171275148      1.08880947371899
  H           2.51929715240062      2.70503749564337      1.73317737791260
  H          -1.61539545239120      2.58041659634307      2.78129555849790
  H          -0.39837148963486      1.55686576294751      3.57370374743904
  C           0.06851308941591      3.57873901847722      0.79941976084916
  C          -1.14435357438547      4.27624875459500      0.74763815554866
  C           0.99850710645963      3.78034792195159     -0.24209153311843
  C          -1.42245645635519      5.16077863892602     -0.29562806475669
  H          -1.88781521360060      4.15590699274036      1.53750496791087
  C           0.72174091837139      4.64978574381225     -1.28285198357409
  H           1.94467712963980      3.23276736508050     -0.26103671668907
  C          -0.50017371998578      5.35581750893015     -1.31628695164052
  H          -2.36442832939075      5.71302234914992     -0.32665300744794
  O          -0.76309859545746      6.19809196929275     -2.32897316469135
  H          -0.00242085095690      6.20627778778556     -2.92984390797782
  O           1.54722888879803      4.89351257815929     -2.32836646204989
  H           2.37676232209724      4.40434416835956     -2.23765499020150
*

