#
#Single point
#
! b3lyp d3bj def2-tzvppd def2/J verytightscf defgrid3
%pal nprocs 8 end
%maxcore 8000
%cpcm epsilon 3.90
refrac 1.491 # Average from doi.org/10.1016/j.optmat.2006.07.010
rsolv 1.3 end

* xyz 0 2
  C          -0.04382140087293     -0.39637001871292      1.49429054200926
  C          -0.04687251423445      0.89926906153506      0.88948658687070
  C          -0.31703904098733      1.18025536843961     -0.48025753067826
  C           0.18906699612112      2.04025749818096      1.71083862506973
  C          -0.31151742038007      2.47158196054611     -0.98730603578332
  H          -0.58351649863042      0.36996635345468     -1.15809019282428
  C           0.20334107639840      3.33281757341373      1.21600381280794
  H           0.37529650156997      1.88423348334591      2.77759271642822
  C          -0.03123544790061      3.59474425386666     -0.16284733400731
  H          -0.54262399389771      2.61262725536492     -2.04270411134735
  H           0.39781607043255      4.15376756964532      1.90537009273374
  C          -0.02749677833146     -1.70664256773699      0.90915825562918
  C           0.30106052343233     -2.00360647739963     -0.44049901509406
  C          -0.31905264793471     -2.82784240669065      1.74318229136244
  C           0.30344543837533     -3.30894680694118     -0.93377199023436
  H           0.60493353553765     -1.20379932854532     -1.11457034582885
  C          -0.32330024770049     -4.12481555390626      1.26102547920059
  H          -0.55693545750081     -2.64942611953087      2.79564851406420
  C          -0.02074703171290     -4.38519194326508     -0.09157786470792
  H           0.57319025144734     -3.47751837638828     -1.97669802424423
  H          -0.55940147273618     -4.96919517892031      1.91290673362236
  C          -0.31448942188769      5.10854132429071     -2.06571977360869
  H          -1.34734000327115      4.80503524102399     -2.32111826109074
  H          -0.21015854225260      6.17828905350116     -2.28544079770357
  H           0.36913516553844      4.55693029304506     -2.73508786927962
  C           0.21507825974139      6.00152072989185      0.21501091709991
  H           0.23338889994967      6.92603096393248     -0.37530241746635
  H          -0.58144315202920      6.09682200808210      0.97706330163035
  H           1.17835977440673      5.92182728313803      0.74913236355459
  C           0.24155156421989     -6.00756809120083     -1.82316357599335
  H           1.27189550176712     -5.71544649501239     -2.09289900627725
  H           0.14168889580380     -7.09735336413674     -1.91389909789364
  H          -0.46049440758000     -5.52032482201468     -2.52263707227994
  N          -0.00190974949736      4.87370459145487     -0.66972899167880
  H          -0.05798149111270     -0.38829944912047      2.58961630020242
  O          -0.05621597429095     -5.68555051663064     -0.47820160426372
*