#
#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          -0.32704302407209     -2.98105699986759      0.16202191869638
  C           0.94292417622619     -2.81961026043767     -0.41546212684633
  C           1.59761586917725     -1.59629520009633     -0.37934341602631
  C           1.00914839406082     -0.49494679196964      0.25308042597139
  C          -0.26337275697981     -0.63655103770796      0.81582519649294
  C          -0.91361474549961     -1.86564709727031      0.77635476897834
  H           1.43834497295729     -3.66500130575234     -0.89976479410845
  H           2.58963241512639     -1.50507512819202     -0.83074998225363
  H          -0.75075435539775      0.21197162719037      1.30660185042180
  H          -1.90096067947479     -1.96403744158322      1.23416214663701
  C           1.72995584945352      0.84618387412550      0.30220170464482
  H           1.79719155406301      1.22961816998616      1.32896439432981
  H           2.75978451481189      0.70522626269656     -0.06734295766105
  H           1.09069299378448      1.48552505438457     -1.67233339956199
  C           0.31663259058090      2.91833801764462     -0.30641248425371
  C          -0.31217497799179      3.62482076986957     -1.37717213272003
  C           0.17982724399600      3.41102925363112      1.02762851618660
  C          -1.03953612912029      4.77047602023271     -1.12509133810985
  H          -0.21103315182357      3.24578718526303     -2.39766623682399
  C          -0.54803881457931      4.55712200174029      1.26623868699193
  H           0.65221055850093      2.88372159200678      1.85848058980556
  C          -1.15407690990864      5.23127684333913      0.19314548734864
  H          -1.52271165167262      5.31172634664855     -1.94031415225393
  H          -0.65506322691661      4.94275964662505      2.28161203071063
  H          -1.73059997820328      6.13870292185628      0.39303327444381
  C           1.05277567853718      1.77253515535609     -0.61249399046140
  C          -1.05358676056009     -4.27767200365127      0.14285479336081
  C          -0.93615961255965     -5.22576533701950     -1.02890889832887
  C          -0.31364529473164     -5.58957582858221      0.27512523684670
  H          -2.03442831630223     -4.23411874954373      0.62422158100735
  H          -0.28426739364771     -4.93009686993115     -1.85594815733388
  H          -1.84244091300192     -5.74888583406956     -1.34271182714841
  H          -0.78066099727244     -6.36948809822176      0.88089778567358
  H           0.77545419843998     -5.54662570870009      0.36633965534373
*

