#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod5Frz.gbw" end

* xyz 1 1
  C          -0.33260931860338     -3.80937482336955      0.06030369704325
  C           0.32055496356621     -3.33286326417190      1.21939712178616
  C           0.82649678192284     -2.07183923551914      1.21391574597407
  C           0.71240244029077     -1.22490087061414      0.06054732428510
  C           0.04131794027630     -1.74261996702332     -1.09517056963356
  C          -0.46939447604263     -3.00204291679483     -1.09728147705443
  H           0.39785570628240     -3.98685472854623      2.07858230789812
  H           1.33013666979620     -1.68505919819832      2.09328226791955
  H          -0.06291347824006     -1.12538819666419     -1.97814957853872
  H          -0.97789316620937     -3.39792845761075     -1.96983155950589
  C           1.24834607486279      0.03675668791057      0.11077988092091
  H           1.72556511630061      0.32755474379201      1.04545316614302
  H           2.23751575087489      1.45317961794062     -1.06619987046213
  H           0.84765918028680      0.73277679410029     -1.88109438259864
  C           0.35772717775846      2.24374617368231     -0.40639138665397
  C          -1.02447579005552      2.10149778994611     -0.32390499836925
  C           0.95589706556384      3.43260650320271     -0.00068781833876
  C          -1.80479664833638      3.15246110360406      0.13857572606294
  H          -1.49792048923785      1.17415889636688     -0.63339776313980
  C           0.17492787796073      4.48205673988760      0.46326412956470
  H           2.03311964257546      3.54775720411702     -0.06448249249500
  C          -1.20523146696505      4.34311957714277      0.53225915775889
  H          -2.88186154631584      3.04316281710883      0.19036691338726
  H           0.64478281595366      5.41096041483379      0.76474971248608
  H          -1.81566070562824      5.16349548202230      0.89129221514254
  C           1.21422869327983      1.09328951367970     -0.92077226410425
  O          -0.80528591881651     -5.03773226654198      0.11608525752952
  H          -1.23820184310095     -5.30081553428318     -0.70849238300773
*

