#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 20 13 24 C }
{ A 13 24 9 108.5 C }
end end

* xyz 1 1
  C          -0.68939237191573     -3.49476075004729     -0.77897628738428
  C           0.17533359333583     -3.24170244075273      0.30210615574237
  C           0.75587964811743     -1.99571194902887      0.42503802981326
  C           0.48364613052819     -0.97483393880434     -0.53703837607507
  C          -0.40127377346508     -1.26393593510501     -1.62184287904225
  C          -0.97737584810654     -2.51332076300410     -1.73548002310247
  H           1.43031970444974     -1.78052272527839      1.26051907574932
  H          -0.62335165458731     -0.49570978044121     -2.36506752768103
  H          -1.65252168417388     -2.73797191183312     -2.56306283464799
  C           1.10320561733602      0.26593456521930     -0.38429936973895
  H           1.76135129894681      0.38047501128621      0.48802369716948
  H           1.96370386712857      1.81046048754123     -1.48643682565992
  H           0.39030007370746      1.29905724642925     -2.13156496787814
  C           0.30008535571620      2.55894018851931     -0.35167947137175
  C          -1.03932946441652      2.43711830079415      0.03510316920735
  C           1.04564971207982      3.66753000651997      0.06384170067612
  C          -1.63396959863711      3.43323140677496      0.80761969509797
  H          -1.63159240020240      1.57148384839640     -0.27832996606636
  C           0.44775442913056      4.66016609327102      0.83443218875419
  H           2.09335809056555      3.76824803956197     -0.23275866137125
  C          -0.89115847692043      4.54350978114897      1.20741184388056
  H          -2.68299248150378      3.34167254267335      1.09732423355395
  H           1.02922129026274      5.53262193358534      1.14018799841199
  H          -1.36005426699767      5.32401798664907      1.81067178198023
  C           0.95143289198146      1.47381857255652     -1.20415840075527
  H          -1.13409614671295     -4.49310637365530     -0.84709286760351
  C           0.43924900545781     -4.34028414586903      1.29504447162738
  O          -0.06280820552647     -5.42217166001050      1.19055810116621
  H           1.13128291442170     -4.08104600709713      2.13083266554787
*

