#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts18.gbw" end

* xyz 1 1
  C           0.00780116279946     -3.38066683506001      0.09398398083779
  C           1.27242355048050     -2.81183582292208     -0.19822318308881
  C           1.42816306241453     -1.44910859789010     -0.26917117761479
  C           0.35312350407716     -0.57450414461817     -0.05885729105420
  C          -0.89690684129456     -1.13048897621952      0.24735962733717
  C          -1.07306701525314     -2.48969233019498      0.32504231611312
  H           2.13115417456338     -3.44561638158880     -0.36491996004968
  H           2.41048439901931     -1.04581766489111     -0.49647984729081
  H          -1.74907960319441     -0.49307290691487      0.45929346183968
  H          -2.04855744635053     -2.87461701009482      0.58462774731205
  C           0.58525012318511      0.86084715168621     -0.17485054082063
  H           1.61280229657177      1.19679016676179     -0.05181616817235
  H           0.30794235003050      1.26163222039567     -1.31054609311598
  H          -1.42715856201346      1.53587185752314     -0.36968900559978
  C          -0.19906146767594      3.29042676404162     -0.05928863749531
  C          -1.24596180070462      4.14522149870722     -0.43562371161774
  C           0.99185342586016      3.83134110419535      0.45089719636547
  C          -1.09787782727714      5.51606726995580     -0.32674097822408
  H          -2.17104693597806      3.72582694807175     -0.81745958507399
  C           1.13293214465150      5.20076859041036      0.55840363266903
  H           1.79359360028663      3.18431840844985      0.78656032569365
  C           0.09184598352879      6.04086721019508      0.16602875901920
  H          -1.90529398670231      6.17560273233136     -0.62036294316395
  H           2.04737927233691      5.62135139676139      0.95872467928356
  H           0.20790282346253      7.11494338530381      0.25694672329550
  C          -0.40670943273887      1.86818349826110     -0.19057653891594
  N          -0.16164261817647     -4.72014047211004      0.16429846096584
  C          -1.46916857325321     -5.28238086697294      0.47151945298809
  C           0.96791779153215     -5.61458468849021     -0.04665304535834
  H          -1.39966794883979     -6.36709898147545      0.45445550943589
  H          -1.81192176693635     -4.97829045917839      1.46530385093177
  H          -2.21490726971317     -4.97838206972196     -0.26864624252450
  H           0.62858678998284     -6.64235487701727      0.05470662082626
  H           1.38944086930860     -5.49221642336875     -1.04869517280503
  H           1.75609545201020     -5.44127016432199      0.69214631707186
*

