#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 19 12 23 C }
{ A 12 23 8 108.5 C }
end end

* xyz 1 1
  C           0.07297400434238     -2.78800611208667     -0.01841641751709
  C          -0.19427624888315     -2.30612902114407      1.26708835249723
  C           0.10810370616029     -0.99609042277724      1.58375288106735
  C           0.70061177260425     -0.15828592975340      0.59993871257778
  C           0.97383025210525     -0.66025119113758     -0.70171213654613
  C           0.65234871981744     -1.96756928062486     -0.99709499337684
  H          -0.11388883578822     -0.62911667752769      2.58835621575782
  H           1.43068011890293     -0.04904912876536     -1.48111459232162
  C           1.00911611196460      1.16525367937968      0.96244169326038
  H           0.75415423239241      1.46055239674447      1.98947728079798
  H           2.39566219119854      2.69098739224005      0.67707702529269
  H           1.95764879325640      1.86127647343702     -0.83163705505427
  C           0.48114096229421      3.28703076758878     -0.08839052248423
  C          -0.62042872686498      3.00810482642842     -0.90608631554706
  C           0.57913013768851      4.52502730194174      0.55760896102324
  C          -1.59718163614308      3.98160707915439     -1.10728215403563
  H          -0.71217238479691      2.03882747972262     -1.40608736250961
  C          -0.39911275055677      5.49235100061107      0.35307255838871
  H           1.43431472778059      4.74522659361857      1.20232821726155
  C          -1.48755710637014      5.22065641124791     -0.47711053536816
  H          -2.44819142894475      3.76943165885544     -1.75786812414462
  H          -0.30937811243993      6.46582900566618      0.83975519439755
  H          -2.25508414534865      5.98137932672601     -0.63611552294533
  C           1.56094531059538      2.22646344118403      0.12481697500349
  N          -0.26261646485340     -4.18093882559546     -0.35270993024975
  O           0.34055340921828     -5.02077802193584      0.25816822860776
  O          -1.10329959856040     -4.32027271109073     -1.19960286316367
  F           0.89434031169783     -2.46632378303169     -2.18260095432827
  F          -0.74584526246892     -3.10030904907581      2.14831781365873
*

