#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod9Frz.gbw" end

* xyz 1 1
  C          -0.02204069171085     -3.54774989332251     -0.02224000516107
  C           0.42572196603105     -3.06909647573081      1.21565727681130
  C           0.86448671932442     -1.77017043707441      1.30197689653959
  C           0.86645310560199     -0.93087791256370      0.15466645336919
  C           0.40749339492947     -1.44621819313133     -1.08840560160665
  C          -0.03305769015424     -2.74174931719742     -1.17351122054953
  H           0.41874288301704     -3.72036169066962      2.08027825061472
  H           1.21325245033179     -1.37327957791726      2.24903004472882
  H           0.40252090617979     -0.81985605724696     -1.97081828269521
  H          -0.38697683500602     -3.15350170019727     -2.11010514288343
  C           1.32654203002783      0.37507724689327      0.30010226497289
  H           1.64320320526459      0.66874378056414      1.30040023300579
  H           2.36906071348773      1.89746988220976     -0.65838262746559
  H           1.21780357014216      1.07419565097183     -1.71839702443274
  C           0.34142042861774      2.50122142980430     -0.33665689550453
  C          -1.01516203496418      2.23509960081777     -0.50156939239588
  C           0.75607446684097      3.72205970218061      0.18851328348138
  C          -1.95310777105754      3.20583689436790     -0.17620660757161
  H          -1.34327108599478      1.27995885169470     -0.90085207746810
  C          -0.18380629311161      4.68866659132611      0.51351183538496
  H           1.81311992826506      3.92792698144967      0.32094691466813
  C          -1.53745941563796      4.43077422237063      0.33201486124636
  H          -3.00851692207278      3.00563715104156     -0.31866798471549
  H           0.14090524580766      5.64622313015614      0.90325207457993
  H          -2.27101187181299      5.18722365248169      0.58529485803043
  C           1.37553144442597      1.43922104032736     -0.70468540924206
  C          -0.48643759811575     -4.90547882861479     -0.12032603367324
  N          -0.86088138865658     -5.98895516499136     -0.19955131206837
*

