#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod17Frz.gbw" end

* xyz 1 1
  C          -0.03390245931009     -2.94745329284965     -0.58361490164895
  C          -0.05478719437706     -2.55413568403399      0.80433276258227
  C           0.32321056253689     -1.28801018829856      1.12755080299013
  C           0.73896292805777     -0.35084801680813      0.11642733672509
  C           0.74256492856794     -0.77220783051618     -1.24782360127307
  C           0.36583189698844     -2.03646766713518     -1.58859146706462
  H           0.31921266093863     -0.95770369956921      2.15795410654827
  H           1.04652802435744     -0.08292099707618     -2.02426457344863
  H           0.37260503008775     -2.34709470757084     -2.62353980401546
  C           1.11841265408743      0.90971171883181      0.49089215619754
  H           1.07229142323295      1.13985946022552      1.55423340099348
  H           2.49370706753874      2.41490516917641      0.01290128768993
  H           1.67674957791769      1.75840728969065     -1.40527981485906
  C           0.49612890556671      3.15047197071164     -0.23954195365088
  C          -0.75864131879197      2.99885454362923     -0.82276545876161
  C           0.78994864207115      4.30999334728733      0.47081022558945
  C          -1.70371956465068      4.00995293426766     -0.71425823756567
  H          -0.99755868957779      2.09392884263370     -1.37402833126708
  C          -0.15619168739754      5.31995039049710      0.58118818101430
  H           1.76764342793474      4.43377501539622      0.92541182640895
  C          -1.40281331864404      5.17140325867983     -0.01223554625155
  H          -2.67560112729695      3.89275783034377     -1.17962855113052
  H           0.08366212695037      6.22610181411428      1.12529161417660
  H          -2.14067613595301      5.96098481519454      0.06988040500331
  C           1.53536258703858      2.04447729539455     -0.36393985066465
  O          -0.40490247789453     -4.17427421895141     -0.81373157842927
  C          -0.42376504562339     -4.69095160062629     -2.16208425417685
  H          -1.12485632847497     -4.11903921854266     -2.77133354781523
  H           0.58093975845134     -4.66435345281566     -2.58592857634604
  H          -0.76287923152061     -5.71796821290341     -2.06370618731613
  O          -0.45833688167562     -3.51399448735751      1.64492024645969
  C          -0.50219011329351     -3.19056247381913      3.03645611846109
  H           0.49425943629216     -2.92603259971111      3.40154272408403
  H          -1.20434875159088     -2.37221001678880      3.21935793374039
  H          -0.84932349254408     -4.09090109070035      3.53648222702072
*

