! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   0.0364310879  -0.9311385222   2.2018117738
Cl   0.1553266180  -5.1576660289  -1.0365533374
O   -0.5666031429   1.3391213929   0.3705754221
O    0.4498715536   1.4634061817  -1.6044886618
N    1.8798386313   2.6649065101   0.5624395060
N    1.5763036822   3.1508808585   1.7675840063
N    2.0168622652   4.8177858270   0.3397657514
C    0.5090671406   0.8419433525  -0.3538357331
C   -1.6249561323   1.6318864417  -0.5356963168
C   -0.8933253397   1.8294085514  -1.8719916416
C   -2.6838359689   0.5426460999  -0.5974454003
C    1.8351462709   1.2537061719   0.2935715326
C    0.4467143021  -0.6796021509  -0.4936337775
C   -3.4029566027   0.2880645757   0.7197280743
C    0.2115361188  -1.5300308486   0.5863515650
C    0.6286230340  -1.2702998713  -1.7398169264
C   -4.4110984659  -0.8457816747   0.6086432777
C    0.1194223242  -2.9040924039   0.4288222490
C    0.5462007814  -2.6402806141  -1.9259067872
C    2.1341811312   3.6692499345  -0.2806852556
C    0.2806230608  -3.4466654168  -0.8340445765
C    1.6748386033   4.4419543201   1.5888467330
H   -2.0817863142   2.5636963431  -0.1924336783
H   -1.3149748389   1.2035429432  -2.6644942880
H   -0.9108403388   2.8659917289  -2.2114243852
H   -2.2402582813  -0.3886870990  -0.9656338617
H   -3.4134761763   0.8486376876  -1.3551064752
H    2.6482807873   0.9882697927  -0.3820803365
H    2.0052050690   0.7316426554   1.2315049554
H   -3.9111516936   1.2026204127   1.0408313091
H   -2.6755630001   0.0502993830   1.4987173928
H    0.8352069861  -0.6468274161  -2.5984008820
H   -5.1610287556  -0.6428700009  -0.1588886063
H   -3.9213772461  -1.7862556637   0.3469353030
H   -4.9403279160  -1.0040179749   1.5493348558
H   -0.0745254951  -3.5385668452   1.2826084736
H    0.6847198542  -3.0648250672  -2.9104684185
H    2.4074201192   3.5196303021  -1.3129548651
H    1.4998998758   5.1419318131   2.3912514425
*