! wB97X-D3 Opt Freq def2-TZVPP def2/J RIJCOSX TightSCF
! PAL8 TightOpt defgrid3

%maxcore 4096

%geom
  MaxIter 200
  # MaxStep 0.1
  Calc_Hess true
end

%chelpg
  grid 0.1
  rmax 3.0
end

* xyz 1 1
O    2.186693    2.082672    -0.078775
O    3.624668    0.417997    0.161325
N    -0.971721    -0.473852    -0.178157
C    1.336999    -0.095484    -0.002842
C    1.531128    -1.472152    0.108769
C    0.050230    0.378330    -0.147802
C    0.441065    -2.335644    0.072901
C    -0.814444    -1.795997    -0.073818
C    2.526364    0.819248    0.037843
H    2.539182    -1.848327    0.222499
H    -0.180563    1.428943    -0.240597
H    0.565067    -3.404817    0.156979
H    -1.714606    -2.392457    -0.111783
H    2.959644    2.639007    -0.049931
H    -1.921930    -0.096592    -0.287679
C    -4.407240    0.954365    0.563222
H    -3.914213    0.781643    1.516553
H    -5.325833    0.369681    0.532116
H    -4.645542    2.013902    0.478257
O    -3.515779    0.552013    -0.458705
H    -3.908431    0.688524    -1.309701
*