#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guessG15_frz1Ang.gbw" end

* xyz 1 1
  Au          0.03065875203736     -2.13347321274026      0.20060551828768
  C           1.56953726737649      0.29889221129266      0.99953241823958
  C           0.37344208014780     -0.28363565855194      1.05826041836028
  C           0.65374537766753      2.35915310868890      1.66791018502712
  C           1.93131463913963      1.65861160823022      1.68471530674475
  H           2.26866695205917      1.46607130015261      2.70429917567860
  C          -0.77998919452315      0.40661833112612      1.71842442633202
  H          -1.29119823342347     -0.24599861392135      2.42891785178328
  H          -1.51292899921487      0.69127057649656      0.95758261145169
  C          -0.36219538755001      1.71705952303281      2.49744464914654
  P          -0.35286333627739     -4.19603499933268     -0.75950783623840
  C           0.51880849307422     -4.45286291343171     -2.32732973578165
  C           0.14516967048840     -5.59865850102396      0.27416010919221
  H           2.40677103541914     -0.11805716532122      0.44909902772038
  C          -2.09375246848079     -4.51419560641521     -1.15010897376948
  H          -2.45561924926160     -3.75283436274811     -1.84380399143021
  H          -2.20613107076016     -5.50199673873114     -1.60328360092562
  H          -2.68677385122641     -4.46481986065004     -0.23481983759765
  H           0.20615510175745     -3.69252606620684     -3.04568124443623
  H           0.29510492970184     -5.44480772230030     -2.72696288368830
  H           1.59442580508050     -4.36048110660898     -2.16495520124187
  H           1.21340501629396     -5.53090955247474      0.48894375227287
  H          -0.06371855713934     -6.54034573942312     -0.23908949206595
  H          -0.40450666280756     -5.56876361484103      1.21692653128615
  H           2.72198386778244      2.13426585234143      1.11271595801937
  H          -1.23952816502991      2.32741879639426      2.69215505651200
  H           0.09236303783172      1.40282830635128      3.43740018857014
  C           0.35270139127935      3.42503374360894      0.75411069877595
  C          -0.98875482670828      3.76799928789016      0.49638681147586
  C           1.38896427708852      4.11840507922462      0.10122852261714
  C          -1.26790062106805      4.75934919087242     -0.40909367192548
  H          -1.81701186891833      3.25738008165625      0.96845055468083
  C           1.07571026801639      5.12232889777708     -0.78026349247420
  H           2.43300217490701      3.90937415010653      0.28838774610716
  C          -0.24713474362125      5.44997048080731     -1.05288070158805
  F          -2.53112430090132      5.09514416073889     -0.69358488958292
  F          -0.53266553473324      6.41565388404665     -1.91088996836426
  F           2.03647493449623      5.81426586388694     -1.40290799717130
*

