#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 0 3 9 C }
{ A 3 9 24 108.5 C }
end end

* xyz 1 1
  C           0.08995230489692     -2.82799534252895     -0.04559897792249
  C           1.45969733850090     -2.55826524167754     -0.28885733477916
  C           2.01503235287067     -1.30585149802811     -0.08321317637241
  C           1.24499281459192     -0.24675954042168      0.40839805707535
  C          -0.12478763560438     -0.46955603186105      0.61752213662089
  C          -0.67460595399079     -1.71387844421148      0.39979209310312
  H           2.11123756779464     -3.36749818863216     -0.61697736144512
  H           3.08319928347109     -1.16628787934476     -0.27007533290936
  H          -0.80164887607747      0.32220124820746      0.95020787932631
  C           1.85713553127703      1.12123086782224      0.64900534920133
  H           1.62927649109393      1.49235174128278      1.65770848533438
  H           2.95264366491438      1.03009524003036      0.57524971392313
  H           1.79947979149208      1.82265912852119     -1.40903119102164
  C           0.45389329457368      3.05691113745565     -0.31424228665755
  C           0.10628319597198      3.76975769302609     -1.50060066381002
  C          -0.15724100350358      3.42665246907102      0.92148416737941
  C          -0.80390516154348      4.80703782690890     -1.45140820037331
  H           0.57030328260715      3.48490947614192     -2.44860881906539
  C          -1.06845836458898      4.46156222017687      0.95744267271421
  H           0.09412314043881      2.89182626972023      1.83929050723957
  C          -1.38770597312920      5.14820041030117     -0.22463971654767
  H          -1.06892371824911      5.35629799141225     -2.35643887689560
  H          -1.53927972787263      4.74990797887668      1.89890710771412
  H          -2.10931320565543      5.96869814389196     -0.18563893964806
  C           1.39822438833114      2.02879352111740     -0.40770606399234
  N          -0.44606209417624     -4.06275838412175     -0.25013256822784
  C          -1.67083932958844     -4.51254927541034      0.39934156184787
  C           0.29897499588914     -5.05609030737467     -0.99832910393774
  H          -1.60267231975314     -5.59711319586323      0.55632765128730
  H          -1.79089872869982     -4.04478612506998      1.38337399833239
  H          -2.56962795067590     -4.30192040775050     -0.20126074943879
  H          -0.39524162544091     -5.82672129641383     -1.35631980365757
  H           0.77247528048169     -4.60694153505010     -1.88326470582409
  H           1.07935155200888     -5.55239779320948     -0.39305190374573
  F          -1.99354708265652     -1.84585843699459      0.58105175517252
*

