#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod1Frz.gbw" end

* xyz 1 1
  C          -0.34082153379533     -3.78370777695842      0.08206381608890
  C           0.26839834205541     -3.28563486076039      1.24601058220895
  C           0.78352176848356     -2.01714720996472      1.26334677293031
  C           0.71270954663713     -1.18645361439219      0.10548944315866
  C           0.08921133199769     -1.70591844232567     -1.06969334645575
  C          -0.42217300635213     -2.97150151806207     -1.07074650414835
  H           0.32380430487787     -3.91219878260228      2.12803867527192
  H           1.25234308701762     -1.62601101279197      2.16010334678871
  H           0.01940360112594     -1.09488778797060     -1.96045365720103
  H          -0.89789316201309     -3.36751273037598     -1.96057852258764
  C           1.25270980511845      0.08128036656579      0.17357328021939
  H           1.69227962628757      0.37356520253311      1.12640848640940
  H           2.28596110608140      1.50001723794187     -0.95414819007682
  H           0.94433770452133      0.76142955747620     -1.83528053492795
  C           0.36968073710463      2.27610495171512     -0.39317403116337
  C          -1.01382968569028      2.12338509317539     -0.38345817690372
  C           0.93952086223681      3.46818731142661      0.04352192826572
  C          -1.82368840573591      3.17071579618295      0.03478575050889
  H          -1.46395916435443      1.19268691398345     -0.71628144275404
  C           0.12842914623060      4.51316743304554      0.46257726947958
  H           2.01787294329801      3.58955595126430      0.03721109272794
  C          -1.25281894251426      4.36521826238872      0.45800140757564
  H          -2.90125278546529      3.05491541274415      0.02947029614654
  H           0.57550346843660      5.44563013743791      0.78675229008118
  H          -1.88649522723695      5.18230257018476      0.78260725565281
  C           1.26006974145285      1.12964931914445     -0.86027848185896
  C          -0.88937459384161     -5.17173199378128      0.04365242621633
  H          -1.87654865632004     -5.18262513196481     -0.42341471742430
  H          -0.23515376281474     -5.79651340861014     -0.57391315013928
  H          -0.95113339682940     -5.61408706664980      1.03680533591032
*

