#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 21 14 25 C }
{ A 14 25 10 108.5 C }
end end

* xyz 1 1
  C          -0.08348349342310     -3.57192992193798      0.03289813861152
  C           0.43213164370611     -3.04732358339067      1.24237575056475
  C           0.87522938126815     -1.74789685833908      1.28357814636395
  C           0.82436304987483     -0.91612356512078      0.11888876431527
  C           0.29910889067648     -1.46718262876597     -1.09418248162152
  C          -0.14333779468022     -2.76523562496195     -1.13329347249350
  H           0.46880102720243     -3.68199263136118      2.12902192321491
  H           1.27316156861463     -1.33517960392892      2.21445926528461
  H           0.24974598400367     -0.85570720206359     -1.99703298049144
  H          -0.54432879217984     -3.19193423461929     -2.05394273640535
  C           1.28715575516262      0.39009179470990      0.21441061150473
  H           1.66171395348332      0.70632565068310      1.19742610089798
  H           2.30016032068920      1.86583849746393     -0.86727462506611
  H           1.02688324097331      1.06890755955820     -1.81211414503890
  C           0.32046701015171      2.54414984610598     -0.37304907580699
  C          -1.06113570671411      2.33118610076130     -0.42822079890795
  C           0.81537917625099      3.76148476026626      0.10655331945109
  C          -1.93815619614956      3.33972910964501     -0.03378698948884
  H          -1.46007243941196      1.38045013148935     -0.79588755175470
  C          -0.06350810046596      4.76623655584306      0.50179082084669
  H           1.89414402298232      3.93502566991075      0.15413343210090
  C          -1.44016977076292      4.55664450995090      0.43123718460519
  H          -3.01628157807516      3.17477060455890     -0.09150389498189
  H           0.32907470537970      5.71979357805542      0.86166069811109
  H          -2.12985323508631      5.34577787727598      0.73880244103231
  C           1.28254017287284      1.44445275304350     -0.81253903329383
  C          -0.54450669164703     -4.91697671733085     -0.01539883377549
  C          -0.93727749023345     -6.06158041863401     -0.05636282083032
  H          -1.28693937446266     -7.08079097886723     -0.09280206694815
*

