#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts20.gbw" end

* xyz 1 1
  C          -0.05839849307807     -2.15353180358542      0.00193019369872
  C           1.24273248459683     -1.67092774005485     -0.09300797558419
  C           1.44012246294692     -0.30133367042183     -0.11323606775201
  C           0.35488537284295      0.57470778310889     -0.04114919374855
  C          -0.94192297259517      0.06542377174688      0.07128426048113
  C          -1.15737857268789     -1.29885186503777      0.08553658026291
  H           2.45005969453709      0.08324252466984     -0.19301247117324
  H          -1.79525057251405      0.72260700494449      0.17522996101582
  C           0.62750583994807      2.00276131924267     -0.05269928352947
  H           1.65811263553440      2.30678354967127      0.12047078796760
  H           0.34202854760694      2.61823054941532     -1.29944017970399
  H          -1.31840425913817      2.73445518936601     -0.53179254828120
  C          -0.05406919959242      4.46729215595707     -0.10640879276009
  C          -0.95186839129487      5.36400280559607     -0.69189413984993
  C           1.02407225413180      4.94420449377151      0.64530640546713
  C          -0.76135930350204      6.72796357336799     -0.54484677316439
  H          -1.79602591383027      4.99260213770164     -1.26406299882442
  C           1.20657104962474      6.30765747040306      0.79180129323313
  H           1.70362316700872      4.26269138404909      1.14516751882962
  C           0.31868706027805      7.19770584124142      0.19293525567620
  H          -1.45563550851201      7.42360431166115     -1.00015710037663
  H           2.03354937494639      6.68082370159271      1.38367397715822
  H           0.46490898514032      8.26481692931189      0.31413851991117
  C          -0.29669952039662      3.03103804291991     -0.30313421329117
  N          -0.28460235313054     -3.62000807126930      0.02526904117932
  O          -0.79633346253467     -4.08513872738846     -0.96315391848557
  O           0.06662924181095     -4.18909838514890      1.02872645741296
  C          -2.59250643172496     -1.81109603599813      0.18782459085388
  F          -3.38625030040783     -0.84955832813541      0.68957593521555
  F          -2.67618025261048     -2.87231355818481      0.99096181856435
  F          -3.06385368514771     -2.14017001491904     -1.01615363167287
  C           2.46281111907618     -2.58709271061246     -0.15848502313179
  F           3.50055404873133     -1.92407116305001     -0.69528056812783
  F           2.22572854480577     -3.65984215037917     -0.91544329932681
  F           2.82117630913030     -2.98792931555329      1.06184958185641
*

