#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod19Frz.gbw" end

* xyz 1 1
  C           0.00957891237452     -2.52203923103678     -0.01815808548649
  C           0.12799173297773     -2.07349592004441      1.29864540782487
  C           0.55249972437253     -0.77497935219030      1.50971715482548
  C           0.86285194916246      0.06622091189619      0.41434029583944
  C           0.73438767611844     -0.42495976630184     -0.90722181801379
  C           0.30427977916653     -1.71753944254855     -1.12561509979394
  H           0.64631819657543     -0.40328917255641      2.52403821362487
  H           0.96677437485617      0.20010750808232     -1.75933245726867
  C           1.29612757260111      1.37101911778348      0.68768589375327
  H           1.35023348395614      1.65051303672759      1.73954596216489
  H           2.55257495312625      2.89517655441619      0.05568668497754
  H           1.73255348456574      2.07635600822148     -1.28050435652605
  C           0.51352429767083      3.49666569255628     -0.17698610416208
  C          -0.74002571111699      3.24077534331155     -0.72703898499047
  C           0.76392931729426      4.70007595057318      0.47781854671382
  C          -1.72909790881956      4.21307548044685     -0.66362190266344
  H          -0.94249890642822      2.29802672280890     -1.22660761321164
  C          -0.22778516752552      5.66642662825490      0.53996457508794
  H           1.73879306056451      4.89406468497572      0.91258838940482
  C          -1.47328072972708      5.42256688946563     -0.02866153024876
  H          -2.69940214520074      4.02524982259858     -1.10773986447734
  H          -0.02731577103126      6.61321029923839      1.02732975556189
  H          -2.24729495042226      6.17940804758381      0.02122847047691
  C           1.61040727515461      2.43340640182731     -0.25887345862080
  N          -0.44897803231545     -3.90298728247794     -0.25538663297254
  O           0.41539861318826     -4.74184823957433     -0.23660741611907
  O          -1.63351074417402     -4.02439565862568     -0.44037532985268
  C          -0.18946903006107     -2.93584318034697      2.40540767659703
  N          -0.44387311772488     -3.61391599187195      3.29583900692577
  C           0.16349800907909     -2.22733312092377     -2.46375357795725
  N           0.05651512174245     -2.61994655226947     -3.53697773141350
*

