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

* xyz 1 1
  C           0.00073948162029     -3.30729632352562      0.27819432902577
  C           0.85357881064224     -2.72447408243475      1.25293440254724
  C           1.29626832428435     -1.45537411848028      1.07726236041882
  C           0.92061112008312     -0.68778214689135     -0.07758354272525
  C           0.05895819046892     -1.30387533438859     -1.04122592273893
  C          -0.39274381037247     -2.57640046678140     -0.87552882698288
  H           1.12565303943272     -3.31949026913072      2.11544872159101
  H           1.94653144882196     -0.99846873182150      1.81541985075922
  H          -0.24028906368556     -0.74987941206913     -1.92192488650514
  H          -1.04077624157464     -3.02528334976918     -1.61467914455752
  C           1.39848347338143      0.58991450593761     -0.21177711800155
  H           2.04793681251018      0.95461310246198      0.58224547807250
  H           2.01665659565675      2.03400292612266     -1.61550498836447
  H           0.55369776065640      1.16618823414961     -2.10974121853951
  C           0.24962168709224      2.65015529379013     -0.55063770184848
  C          -1.08976877732909      2.39519490076342     -0.26841359202533
  C           0.82318823915460      3.85277381186881     -0.15021229274205
  C          -1.85815836151271      3.34726650895690      0.38623539209866
  H          -1.54022375407126      1.45435193198732     -0.57092383057759
  C           0.05474017708825      4.80318119157659      0.50841539484011
  H           1.86639513327799      4.05699473893818     -0.36920381834599
  C          -1.28517669560519      4.55160806825662      0.77656933351040
  H          -2.90396503480125      3.15029895158729      0.59158555110603
  H           0.50177655399735      5.74441173861321      0.80643399564469
  H          -1.88430264319385      5.29600879420816      1.28792270653513
  C           1.08568118129544      1.58667675181174     -1.25843627941986
  O          -0.37717328938040     -4.53421962048776      0.52713184243869
  C          -1.24365198358033     -5.23413498108878     -0.39264703941491
  H          -2.19670846163800     -4.71092607165638     -0.48011002793279
  H          -0.75642260944606     -5.33265015184101     -1.36352701332919
  H          -1.39388721327341     -6.21364851066382      0.05188118546316
*

