! 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 "WATER"
end
*xyz 0 1
S    1.1262393490   1.4129807925   1.5898749572
F    2.2873737439  -2.5115689354  -1.8599172058
F    1.1499158459  -0.6874777609  -1.7740095939
F    0.1364128457  -2.5817208427  -1.7666790509
O    1.0401662114   0.4226587198   2.6485167868
O    1.0680297074   2.8169617436   1.9438713933
O    0.2207154757   2.5563657353  -1.0202120268
O   -3.4592562380  -1.6394910675   1.8804897277
N   -0.1843682860   1.0395280846   0.6219851781
N   -1.7046330589   1.3828235392  -1.1028212977
N   -3.8113512084   0.5629583117  -1.3864740912
N   -2.5152055654  -0.1558648123   0.4372241241
N   -4.7023818550  -0.9692596321   0.1620489552
C    3.0828400426  -0.1245126428   0.3119411156
C    2.5653186643  -1.4485442509   0.8210969748
C    2.5517605757   1.1480667278   0.5713364846
C    1.2682892779  -1.9817049236   0.2083717505
C    4.2258957480  -0.1648994363  -0.4842804184
C    3.1392300609   2.3043923002   0.0656070005
C    1.2149608487  -1.9409195048  -1.2925995833
C    4.8167669394   0.9784077198  -0.9963980109
C    4.2727228725   2.2212677899  -0.7215688285
C   -0.4970098764   1.7188621249  -0.5210498439
C   -2.7078384534   0.5639576561  -0.6613755486
C   -4.7856838838  -0.2211905595  -0.9290106841
C   -3.5461363887  -0.8984090372   0.8028062257
C   -6.0598205206  -0.2293946340  -1.6903163737
C   -2.2457155226  -1.6345079240   2.6328864812
H    3.3497424144  -2.1848274745   0.6503118584
H    2.4231432453  -1.4187430083   1.8989293648
H    1.1525907474  -3.0199510156   0.5222694168
H    0.3973817492  -1.4517916875   0.5869918678
H    4.6730082226  -1.1268953643  -0.6976067248
H    2.7221231911   3.2757862547   0.2829194252
H    5.7056956562   0.8934386009  -1.6065737837
H    4.7242166933   3.1237679483  -1.1087298475
H   -0.8888397231   0.3898600834   0.9966524221
H   -1.9135670228   1.9002656709  -1.9472729075
H   -6.5654273143   0.7291820783  -1.5586716088
H   -5.8718403172  -0.3469753119  -2.7565730856
H   -6.7241664522  -1.0181968961  -1.3498826326
H   -2.0080341842  -0.6382401095   3.0045605173
H   -1.4147314354  -2.0274754070   2.0471017683
H   -2.4210909914  -2.2939224455   3.4771873686
*