#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod14Frz.gbw" end

* xyz 1 1
  C           0.20295238862444     -3.13892783063479      0.02006460816651
  C           0.31823890455083     -2.64615770294667      1.31187550915721
  C           0.64724149354907     -1.31691657984831      1.46042283137494
  C           0.86109975196039     -0.49700874045000      0.32087811425807
  C           0.73146541579698     -1.05319597865983     -0.97960633897232
  C           0.39959756513027     -2.37854984874583     -1.12920973202720
  H           0.14937399954694     -3.30070176311001      2.15611652294012
  H           0.74525494223937     -0.88674280066751      2.45101813760292
  H           0.89132952127731     -0.43971954997716     -1.85645653387238
  H           0.29007379918356     -2.84097543378287     -2.10077568811598
  C           1.20125624432390      0.83988055064695      0.53300503378154
  H           1.26325498990050      1.16469062074690      1.57126524139770
  H           2.34600065637534      2.41026215960391     -0.20100261695677
  H           1.51771181247871      1.50309120229020     -1.47391518128547
  C           0.26796722233016      2.89170206086026     -0.36660301828722
  C          -0.99548300173095      2.54258761197765     -0.83573766196160
  C           0.47988198236790      4.13903188663082      0.21457866318612
  C          -2.03616943963700      3.45860379102424     -0.75893626097558
  H          -1.16724580307255      1.56628095759954     -1.27912778802826
  C          -0.56248230047888      5.05032554485693      0.29050703017771
  H           1.46355119878820      4.40872105748429      0.58455872581693
  C          -1.81980654456324      4.71025738000234     -0.19505086034075
  H          -3.01627895343129      3.19457083883090     -1.13825980099635
  H          -0.39197346459320      6.02885545371390      0.72364908057221
  H          -2.63348771126286      5.42360845524042     -0.13593080975222
  C           1.41786886072416      1.89008020267808     -0.46109029836957
  N          -0.15783354540562     -4.58226258706519     -0.15009263278048
  O          -0.31118092342527     -5.22163512372513      0.86384576564706
  O          -0.26423381154718     -4.97980750457410     -1.28668018135688
*

