#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod22Frz.gbw" end

* xyz 1 1
  C           0.21962515385244     -2.37619457636074     -0.04063196858683
  C           1.19282809144848     -1.78804102716261      0.84490397547062
  C           1.52127846822696     -0.48620725353189      0.72008430851456
  C           0.93431106076205      0.36298553148731     -0.28996834058699
  C          -0.04149316591871     -0.24246030240638     -1.16504536194365
  C          -0.38810636422426     -1.54009878438094     -1.04910545953854
  H           1.64406052080140     -2.39057814254915      1.62001894100447
  H           2.24739398326711     -0.04770023018529      1.39639866640225
  H          -0.50577154027839      0.35795104898033     -1.93697587922061
  H          -1.11279966708335     -1.96809935489442     -1.72691715702706
  C           1.31669477564295      1.66375358060103     -0.37121200219934
  H           2.05314011371137      2.00681981169996      0.35323870810680
  H           1.68115253626708      3.16365130174364     -1.79929878961677
  H           0.15738547182136      2.31747921571024     -2.06344308525129
  C           0.11309084360090      3.78522937182782     -0.47448291758581
  C          -1.11697673608541      3.51433125963893      0.11845110939701
  C           0.69675789412376      5.03560230547233     -0.29953520914038
  C          -1.76351319749324      4.49071905366370      0.86368853987371
  H          -1.57840562168185      2.53921040805504     -0.00890384987284
  C           0.05162228494876      6.01235294899482      0.44783271313633
  H           1.65419678638835      5.25449191970050     -0.76152796283254
  C          -1.17985620778739      5.74175764572555      1.02854617825900
  H          -2.72590481640485      4.27694081685254      1.31452492106756
  H           0.50921491915223      6.98728459065993      0.57032871072925
  H          -1.68671285555181      6.50435371830668      1.60844785451610
  C           0.81928188550297      2.71659882580239     -1.29541804422812
  N          -0.10847801071938     -3.64453305901077      0.06574515257321
  C          -1.14817871620405     -4.31209269581026     -0.74805493018004
  C           0.51849399556895     -4.59195407394743      1.01315774341273
  H          -2.05347196396839     -3.70586922914024     -0.77160886609720
  H          -0.77721170154741     -4.44007593834755     -1.76892484281116
  C          -1.34815558442071     -5.65316471674889     -0.04693733719889
  H           1.60302335011385     -4.48987087909476      0.98297678614382
  H           0.16714547438896     -4.37210582684069      2.02532505616908
  C           0.03476094136010     -5.95643767836788      0.52996789003643
  H          -2.08122859233828     -5.54828988905820      0.75650289325952
  H          -1.70447331311166     -6.41906223743542     -0.73456546035935
  H           0.69946127412690     -6.33181096197102     -0.25179978628378
  H           0.01292672974224     -6.68680585767823      1.33771517248874
*

