#
#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           0.00334304473649     -3.45975583014698     -0.04764314674149
  C           0.55715354172506     -2.96121927802198      1.14805179216548
  C           0.98671378040506     -1.65650464533669      1.18546827453858
  C           0.87863447776229     -0.81039805261801      0.03541661864482
  C           0.30915420737738     -1.35222362370871     -1.16146060916989
  C          -0.12047085627099     -2.65518444467061     -1.20202737967529
  H           0.63469982746236     -3.61168713000641      2.02055797527313
  H           1.41670211607201     -1.25238441709474      2.10585493298073
  H           0.21445515531676     -0.73129710129048     -2.05424207743812
  H          -0.55443283803740     -3.08121392153143     -2.10795098520250
  C           1.33251861834106      0.49983314796195      0.12820922705719
  H           1.74757597647734      0.80633812192744      1.09799319083395
  H           2.28081086059794      1.99937964829032     -0.97680404491151
  H           0.97091873719991      1.20548051117108     -1.87317019268752
  C           0.32182995375814      2.65323092962266     -0.37936675227797
  C          -1.05883267950171      2.42753709067187     -0.36778856569968
  C           0.83011341550236      3.86885489767340      0.09076709755723
  C          -1.92367580296689      3.42287312202398      0.08312145321597
  H          -1.46757231240791      1.47808666859537     -0.72797856683038
  C          -0.03668747105581      4.86024245436368      0.54224362139382
  H           1.90827098500878      4.05226514608158      0.08579803129960
  C          -1.41334452130228      4.63843603737448      0.53822758961818
  H          -3.00181165327878      3.24842560869380      0.07809361036545
  H           0.36489142819256      5.81296835745862      0.89425961913400
  H          -2.09372121864568      5.41704240703210      0.89016970687584
  C           1.27023799207671      1.56816140756032     -0.88090337675723
  Cl         -0.52898027454475     -5.06938697207664     -0.10470611356239
*

