#
#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          -0.30328757572987     -3.87714713899327      0.02351633170196
  C           0.27524078406638     -3.37002827472023      1.21650729212425
  C           0.74729393917612     -2.08986583856149      1.23529247809396
  C           0.67182345438475     -1.24477078223930      0.07151672596674
  C           0.07399712652852     -1.78809155823979     -1.11813953642646
  C          -0.39913154844021     -3.06904629396485     -1.14352327650843
  H           0.32425380535941     -4.02327610943333      2.08903896282197
  H           1.19353068983770     -1.68872746040008      2.14915756806774
  H          -0.00347089047118     -1.17390556219147     -2.01722744111977
  H          -0.85013647903208     -3.48013663233352     -2.05051790031220
  C           1.17682116815784      0.03724157483305      0.13873907332099
  H           1.60828385153400      0.34703414141382      1.09982828939294
  H           2.21397502196027      1.42022886404721     -1.04156143076111
  H           0.80494221023419      0.73171895211037     -1.87032467600313
  C           0.34585758166176      2.26471583359928     -0.39091272277787
  C          -1.03620868131955      2.13165028019339     -0.21887957613290
  C           0.96537520973436      3.47910501094717     -0.07970066839032
  C          -1.79083533359138      3.20891682959147      0.24159749401102
  H          -1.53407598661466      1.18579981938991     -0.45566590612466
  C           0.20931816151990      4.55469669591877      0.37904547958708
  H           2.04492666469901      3.59298663561045     -0.21227432383367
  C          -1.16883822622670      4.42086277547825      0.54004293478186
  H          -2.87066139579834      3.10174526729644      0.36632016282949
  H           0.69933219143340      5.50391552340495      0.60645624033783
  H          -1.76202376999178      5.26537472627258      0.89775310448618
  C           1.17174671034634      1.08907516132182     -0.89851733511816
  O          -0.73779486232647     -5.10944549693298      0.05835537007081
  H          -1.11796477109174     -5.39946634341859     -0.78292463408616
*

