#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod23Frz.gbw" end

* xyz 1 1
  C          -0.19482645213793     -2.86843176479728     -0.06339956557197
  C           1.13468431785336     -2.33518481819255      0.14416097106343
  C           1.46141100212237     -1.07102224949934     -0.17027910098174
  C           0.49780110213853     -0.16790565311671     -0.74601370709847
  C          -0.81740502323920     -0.69613034265921     -0.99029236049137
  C          -1.14044119699296     -1.97080837483180     -0.68262115030045
  H           2.48182024626435     -0.74298222787561     -0.00644475757981
  H          -1.57729825799731     -0.05539224747125     -1.41833552620987
  H          -2.14823627995997     -2.31579735782198     -0.85731003743182
  C           0.86367670535050      1.11058922134387     -1.03315580620324
  H           1.88533321785810      1.39756022501836     -0.79107099286248
  H           0.54410534461422      2.63064502995618     -2.44830048055759
  H          -0.94869320013539      1.85379350754033     -1.92375071254804
  C          -0.12875423938513      3.27969591727195     -0.51775780925451
  C          -0.92577113819664      3.04747163782559      0.59956073026298
  C           0.53677908400701      4.49449139107238     -0.64523193773246
  C          -1.07047426556920      4.02938201855031      1.56991255391161
  H          -1.44518468121335      2.09977674562832      0.70960446167771
  C           0.39438820743640      5.47626440728198      0.32651959867186
  H           1.15755291185219      4.68241925188641     -1.51546273581007
  C          -0.41053259261963      5.24546490403655      1.43377065451712
  H          -1.70095661820169      3.84747065942208      2.43273044197329
  H           0.90782343037968      6.42418816464277      0.21422586055583
  H          -0.52591774324572      6.01238068156944      2.19086649975617
  C           0.02527528507530      2.20514112323199     -1.58452805123584
  N          -0.54986833891169     -4.09482057474884      0.27337240058977
  C           0.23224106400655     -4.98146516720151      1.15555043331686
  C          -1.83600874356815     -4.65291835184628     -0.16823527095190
  H          -0.47404872383563     -5.64023323831215      1.65717038191976
  H           0.93660967743229     -5.57990130547001      0.57662313282371
  H           0.76456612740074     -4.40852168246504      1.90663868824783
  H          -1.76860399248643     -5.73663736661138     -0.10787606162744
  H          -2.65061698482189     -4.31092349056025      0.47486956030581
  H          -2.03780554625653     -4.38274298067015     -1.20295264308278
  F           2.09134046498284     -3.15477164212715      0.61071768793806
*

