! 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
S   -2.3706727650  -0.2633880728  -1.6951370530
F    0.3824076137   4.3286781194   0.7305412906
F    0.0715935525   3.0867688673  -1.0096488309
F    7.0767209406  -1.5011109545   0.5275430599
F    5.3089134993  -2.3518784070   1.4359312928
O   -2.5980499541  -0.8560053664  -2.9930627923
O   -2.6601836866   1.1398007433  -1.4726298857
O   -3.7822477994   1.4819606972   1.5840557890
O   -1.6804963231   0.7476948878   1.3667832086
O   -0.6460899317  -2.6536266605  -1.5964102341
O    1.8745129294   2.8373895681   0.2827593154
O    5.3003036781  -0.2829676189   0.6151817248
N   -0.7573039769  -0.4086079718  -1.2995170108
N    1.1954123362  -1.5938591789  -0.8484713579
N    1.4934046281   0.6469744809  -0.2786279447
N    3.2352160923  -0.9298928208  -0.1165959135
C   -3.2379699951  -1.2166699860  -0.4792872819
C   -3.4829581390  -0.6839977653   0.7869771783
C   -3.7526940263  -2.4477346514  -0.8521396952
C   -4.2592746456  -1.4113754327   1.6772055000
C   -4.5065888710  -3.1729934314   0.0583769626
C   -4.7594408581  -2.6552545121   1.3174130564
C   -2.8705839604   0.5951497506   1.2565623206
C   -0.1156814779  -1.6146066177  -1.2739560784
C    1.9922518462  -0.5735729732  -0.3990283253
C    2.3230012105   1.5824609881   0.1524878113
C    4.0341143437   0.0245654214   0.3084841540
C    3.6445283006   1.3440616960   0.4710416142
C   -3.3246157393   2.7458711850   2.0757260835
C    0.5192791315   3.0844150907   0.2596736031
C    5.7447063617  -1.5748157215   0.4289015499
H   -3.5794988833  -2.8430281972  -1.8423383183
H   -0.2793700422   0.4171731519  -0.9326571966
H   -4.4645672637  -1.0160697480   2.6632237011
H   -4.9016485914  -4.1383363442  -0.2262054954
H   -5.3539230901  -3.2157724565   2.0260903019
H    1.6457779355  -2.4999615804  -0.8770772512
H    4.3115847838   2.1160638432   0.8246210863
H   -4.2197631527   3.3178148560   2.3004172833
H   -2.7447814988   3.2731342401   1.3178080770
H   -2.7295862106   2.6310063075   2.9809539004
H   -0.0637635805   2.3867397654   0.8601182233
H    5.4594887837  -2.0112842061  -0.5272053566
*