! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX
! DEFGRID2
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
S    0.1883548660  -0.0000367013  -0.0001777990
F   -0.8731842504   1.1506197198   0.0022420775
F   -0.8736107512  -1.1503111950  -0.0007392686
O    0.8421023664   0.0012687464  -1.2610721224
O    0.8442343759  -0.0015731971   1.2596028159
*