#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod13Frz.gbw" end

* xyz 1 1
  C          -0.72743843241485     -3.44292118094178     -0.73218596586711
  C           0.18185334856621     -3.20787929153391      0.30869121595658
  C           0.79079346342290     -1.98086255474053      0.40416545751426
  C           0.50273087018173     -0.96029814148586     -0.54605276631898
  C          -0.42534938412477     -1.22992287631253     -1.59167654235525
  C          -1.03113348593044     -2.46101687658431     -1.67718492952622
  H           1.49666727633352     -1.77784465587756      1.20467802102694
  H          -0.65560869653937     -0.46371068011888     -2.32088245991864
  H          -1.73764537517190     -2.67231166406792     -2.47010143549501
  C           1.14658800178408      0.26225310081493     -0.41356882190175
  H           1.82908972473600      0.36261415363592      0.42978123617478
  H           1.97865656492176      1.83102947840300     -1.49804973117919
  H           0.42029319585867      1.29794668574317     -2.14011793726497
  C           0.30736722836155      2.54178671491786     -0.36470022708079
  C          -1.04179008912230      2.42466145055011     -0.04233482231337
  C           1.04884656171455      3.61749637654620      0.11541620303325
  C          -1.65462678105450      3.40168729544881      0.73083504048657
  H          -1.62224832527895      1.58235170940749     -0.40717813152616
  C           0.43394579723165      4.59113496140016      0.88871779675601
  H           2.10112499783667      3.70835744835462     -0.13329174323864
  C          -0.91686171066587      4.48349580022517      1.19663037765528
  H          -2.70835748562074      3.31841089285432      0.96974261064846
  H           1.00843787052042      5.43767514718804      1.24598194855468
  H          -1.39711605231541      5.24545376741168      1.79932689353517
  C           0.98054754577310      1.47407774784326     -1.22324639344715
  H          -1.19415807238946     -4.42225298128609     -0.78228695106650
  C           0.46886007480285     -4.30110509795182      1.29786801776567
  O          -0.05789060615828     -5.37618051093077      1.22907470041468
  H           1.19627922474120     -4.05091858891280      2.09287568897744
*

