#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.17758476226601     -3.09245579239930      0.25076785268757
  C           0.90637078000167     -2.97487380099417     -0.61246708448821
  C           1.64705911205733     -1.80569167941499     -0.61351290155159
  C           1.31957279573284     -0.76459940041098      0.25568966564230
  C           0.21365295559484     -0.88817968911078      1.09548476331077
  C          -0.52888636340392     -2.05614432510879      1.10817165384510
  H           1.16467490714981     -3.79662103064018     -1.26812411098397
  H           2.50207301576551     -1.71609927294262     -1.27571982943706
  H          -0.06459026890889     -0.07541389627930      1.75822809910497
  H          -1.37613502382109     -2.17016921262737      1.77215906503781
  C           2.14060770800833      0.53274652872370      0.25420785934384
  H           2.21534068164047      0.96780314692646      1.24695610159817
  H           3.13423298220027      0.34617183512285     -0.15258938775077
  H           1.37897647462164      0.96935000815515     -1.72372351983526
  C           0.35608320408492      2.26988392777520     -0.40052072410175
  C          -0.45360648293935      2.74209774737427     -1.46619261251157
  C           0.19680686928251      2.82775320911664      0.89549358579073
  C          -1.38853121859717      3.72758497797418     -1.24483655034438
  H          -0.32726613658226      2.31405460224056     -2.45486852380094
  C          -0.73766922214672      3.81148223203370      1.10575854332984
  H           0.81699092719139      2.48787967541095      1.71518721539207
  C          -1.52742104942208      4.25610529578678      0.03836727646140
  H          -2.00933401576475      4.09062298691618     -2.05426159452019
  H          -0.86367706090037      4.24782556766405      2.08884707437876
  H          -2.26270305899840      5.03416024084802      0.21450101009236
  C           1.30250036776142      1.28355073075844     -0.68452104849282
  Cl         -1.10384446734198     -4.54627764289868      0.25500803180282
*

