#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod20Frz.gbw" end

* xyz 1 1
  C           0.07545591686506     -1.96428362448859     -0.01564954738361
  C           0.36626693183604     -1.50695233662371      1.27217898347077
  C           0.79615506564086     -0.20767286289342      1.41693321217289
  C           0.93185368666243      0.64056522135209      0.29219065761034
  C           0.62469368310954      0.13949767118370     -0.99558433261875
  C           0.20072273769934     -1.15710940233945     -1.15479725708101
  H           1.03231344175417      0.16960154106345      2.40512786269785
  H           0.71816801833249      0.77119467856320     -1.86832883966262
  C           1.36879293699396      1.95181525696622      0.50142090973596
  H           1.56895508208601      2.23460565937237      1.53454178022385
  H           2.48174194368758      3.50898016228991     -0.30465904993631
  H           1.50028453170836      2.66303948330705     -1.50865503812815
  C           0.41321544485359      4.05340953507276     -0.24422292416108
  C          -0.89308906860253      3.77069560424882     -0.63423942880597
  C           0.71364029553919      5.25642476675147      0.38927068139538
  C          -1.89071512212236      4.71452646138267     -0.43059788003621
  H          -1.13284916112844      2.82836512078134     -1.11786108329917
  C          -0.28655288895434      6.19476512569291      0.59256033709289
  H           1.73096521005977      5.47233420499505      0.69851471104270
  C          -1.58752576529889      5.92369256147310      0.18398632201262
  H          -2.90463505816077      4.50513361199242     -0.75026643932338
  H          -0.04962369958399      7.14083000310987      1.06472714797805
  H          -2.36808803069877      6.65844142204962      0.34304796459841
  C           1.51698793810807      3.02160874238447     -0.48045843383876
  C           0.20546091610421     -2.38032731377571      2.51745988771683
  F           0.93647167760820     -1.87301020317266      3.51951929059599
  F           0.62038144214406     -3.62676602804536      2.28803697112645
  F          -1.06843854963099     -2.41076564412051      2.90700562705793
  C          -0.09911152856079     -1.67001957200882     -2.56431417289935
  F          -0.32069125599411     -0.63125000312855     -3.38355946437935
  F          -1.18473603429453     -2.44453314666868     -2.57376452904888
  F           0.93350901221491     -2.36182161587239     -3.04290254223859
  N          -0.38574037270290     -3.36316093559970     -0.18563911715197
  O          -1.50951025724535     -3.58500639688943      0.18665855283859
  O           0.41727705997089     -4.11452174840553     -0.67681193937436
*

