! 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   0.6848968341   0.9637889231  -2.4175457958
S    1.4530186123   1.4876129789   0.8750121843
O    2.1617201787   1.4743693358   2.1350092614
O    1.0927969320   2.7443601727   0.2567138638
O    0.8911513161  -1.2745138893   1.6891521080
O   -3.7426598515   2.3086172213  -0.5389782659
O   -5.6148103489  -1.9202634765  -0.1394960318
N    3.4155664956  -0.2962445801  -0.0217672334
N    2.8114840344  -0.5870681521  -2.1615089038
N   -0.0021832953   0.6996627822   1.0217124035
N   -1.3085962988  -1.2115912419   1.1685117927
N   -2.5158211365   0.5832896407   0.3160477520
N   -3.4610083627  -1.5658714985   0.5251159688
C    2.3237046408   0.5163857882  -0.2609388123
C    3.6775774126  -0.9399496879  -1.2125475129
C    2.0012740651   0.2812800935  -1.5840415014
C    4.1649371162  -0.5141487416   1.0949392565
C    4.7516697488  -1.8370446777  -1.2899029236
C    5.2070902427  -1.3824239679   1.0265166192
C    5.5098591940  -2.0541134865  -0.1760355970
C   -0.0715890620  -0.6341321943   1.3250942069
C   -2.4766384534  -0.6964229860   0.6460536070
C   -3.6572519839   1.0387670892  -0.1912023867
C   -4.5935711846  -1.0995745859   0.0178710710
C   -4.7632940304   0.2254740176  -0.3682792493
C   -2.6044988378   3.1500330092  -0.3718375282
C   -5.4581709251  -3.2912105729   0.2164398212
H    3.9000281251   0.0202903338   1.9904017329
H    4.9459592454  -2.3316185246  -2.2307450575
H   -0.8556924024   1.1520408614   0.6610549219
H    5.7982703018  -1.5484986338   1.9147849187
H    6.3438344230  -2.7409725385  -0.2109598879
H   -1.3428506452  -2.1958946759   1.4002831068
H   -5.6908098026   0.5937421434  -0.7817663627
H   -2.9136014929   4.1341642975  -0.7136115327
H   -1.7632215676   2.8175134240  -0.9814681719
H   -2.3016604133   3.2193249261   0.6734995955
H   -6.4095822778  -3.7638064479  -0.0133692718
H   -5.2453282472  -3.4113743443   1.2787121527
H   -4.6705268832  -3.7713236622  -0.3645326728
*