#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod10Frz.gbw" end

* xyz 1 1
  C          -0.76722615486521     -3.74966840510183     -0.33343121970375
  C           0.16122733239585     -3.46483236016429      0.68004091622131
  C           0.76104580433369     -2.22581719786829      0.64900804322811
  C           0.45509210392185     -1.27665747098592     -0.36966994542556
  C          -0.49278469925933     -1.61070335768272     -1.37619453621820
  C          -1.09492608067790     -2.84308713282939     -1.34684692607268
  H           1.48474203706367     -1.95265882842678      1.41047815435508
  H          -0.73750916193920     -0.90127711256644     -2.15566873365772
  H          -1.81992004724941     -3.12045036974663     -2.10198787724659
  C           1.10581021177887     -0.05400625099812     -0.33660006459693
  H           1.80358079797569      0.10378590626059      0.48507262499026
  H           1.92802126988709      1.42283674186883     -1.55389497183177
  H           0.35162112967590      0.85943936050287     -2.12087555275364
  C           0.28709818133118      2.23250374078736     -0.44196695142042
  C          -1.05307580210843      2.14884611780017     -0.07521767512543
  C           1.04295860461365      3.33986430295750     -0.06860376383539
  C          -1.64170771073078      3.18577958906248      0.63626071992743
  H          -1.64490163113942      1.28278399259047     -0.35652777397374
  C           0.45270314025340      4.37396971674919      0.64340384035002
  H           2.08821853999550      3.40586757765108     -0.35241899435522
  C          -0.88902392086728      4.29741045714532      0.99595226309105
  H          -2.68864442870739      3.12612870604839      0.90985606573210
  H           1.03945608659266      5.24280000909300      0.91773384298577
  H          -1.35043640384717      5.10629367727433      1.55033005110490
  C           0.93317240577043      1.09819704489965     -1.23185284605610
  H          -1.25414509348489     -4.72090755536058     -0.32912564783079
  C           0.46878101076705     -4.48401211669310      1.74315777939169
  H           1.20917915649543     -4.10820628774309      2.44922256705508
  H          -0.43508476249808     -4.74237795895336      2.29913062069912
  H           0.85733177452259     -5.40063522557068      1.29410768097200
*

