#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 0 3 10 C }
{ A 3 10 25 108.5 C }
end end

* xyz 1 1
  C           0.29206983642599     -2.25003076395587      0.08696977374082
  C           1.52051986287714     -1.93091746923449     -0.55291617168259
  C           2.02525010174598     -0.64646801934097     -0.51603227667328
  C           1.36039532369048      0.38049516303386      0.17435961662241
  C           0.12634449583788      0.08253171132046      0.77412453184126
  C          -0.39465686054793     -1.19758870773260      0.74982226061219
  H           2.08888946740656     -2.70919406515471     -1.06229122836340
  H           2.98105424187147     -0.44243665284106     -1.00760868243883
  H          -0.43661721807602      0.86690884144966      1.29028567409796
  H          -1.34830014264867     -1.39059814544144      1.24115519519013
  C           1.93081856994838      1.78504147644724      0.22102083349665
  H           1.93871112606807      2.18244398247754      1.24555337849418
  H           2.97846470432401      1.75289146205536     -0.11856990052900
  H           1.32737711295355      2.41443197464426     -1.77038966573959
  C           0.20376712525592      3.59664061799996     -0.39958988413033
  C          -0.46829325520724      4.24719981579190     -1.47516054727757
  C          -0.11343889410629      3.96690739397189      0.94018537178701
  C          -1.40961406204058      5.22631502052564     -1.22241054456542
  H          -0.22795707000871      3.96436422478510     -2.50344092607383
  C          -1.05941256823849      4.94257185646521      1.18108537404650
  H           0.38917939056051      3.47971131597154      1.77775062544937
  C          -1.70314940316243      5.56910187658007      0.10312382218317
  H          -1.92212681646147      5.72729541000569     -2.04549705366265
  H          -1.30700460259827      5.22853426438874      2.20491707803119
  H          -2.45042645138803      6.34172622063856      0.30321529396625
  C           1.16951807530504      2.62676328116355     -0.70454266141949
  N          -0.20294950214328     -3.50793860472777      0.06471116910816
  C          -1.39532881065379     -3.92469170388525      0.79725604656935
  C           0.40726680783324     -4.60944587951398     -0.67526717774444
  H          -1.36725607209007     -3.55662873836030      1.83537972430904
  H          -2.30854082185868     -3.51881779187893      0.32313153136003
  C          -1.35017106234777     -5.45027559620812      0.72071081514355
  H           0.63689028269785     -4.31141049269256     -1.71074625729584
  H           1.35498453319555     -4.92302986502029     -0.19908246065036
  C          -0.64716377361641     -5.71340947738184     -0.61082925807216
  H          -0.75067802066398     -5.84896311084418      1.55431883147909
  H          -2.34857032862085     -5.90349286249704      0.78442689280459
  H          -1.35781992742486     -5.60170777736876     -1.44508733569235
  H          -0.20719179409382     -6.71718787563606     -0.68232013832176
*

