! 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    1.1930690982   1.7968803782  -1.3689306536
F    1.1002082035  -0.7977849787   1.8693272864
F    0.7267292084  -2.8957520718   2.1751449547
F   -0.3247494891  -1.8298638702   0.6312538310
O    1.1367183348   3.2430385458  -1.4458244145
O    1.1436263275   1.0367914891  -2.6064702440
O    0.2826098052   2.4456107936   1.3658140608
O   -3.2278079162  -1.4652928855  -2.0746103955
N   -0.1212475040   1.2348923342  -0.5097859023
N   -1.5959125586   1.1970010167   1.2902078320
N   -3.4734817621  -0.0530091383   1.6117813926
N   -2.3974642689  -0.0779509361  -0.4766907123
N   -4.3057964281  -1.4025851327  -0.1277189734
C    2.9724733798  -0.0089465946  -0.2183008056
C    2.2523105339  -1.2167929753  -0.7735587263
C    2.5969112601   1.3280175467  -0.3957788563
C    1.9593635188  -2.3097396519   0.2545235184
C    4.1395841584  -0.2310786434   0.5114643978
C    3.3276710146   2.3792566654   0.1519953643
C    0.8734969381  -1.9574536961   1.2299676565
C    4.8773423749   0.8042335163   1.0582546893
C    4.4688464111   2.1176576407   0.8851399011
C   -0.4228553998   1.6809538055   0.7465421096
C   -2.5142557598   0.3199695996   0.7827424731
C   -4.3567840278  -0.9089227884   1.1021847196
C   -3.2983113741  -0.9626871385  -0.8649671521
C   -5.4535212478  -1.3648440062   1.9924112432
C   -2.1221982345  -1.1070805080  -2.9053138047
H    1.3378942848  -0.9625297705  -1.3008508795
H    2.8987542011  -1.6624143631  -1.5322816048
H    1.6453006028  -3.2120487518  -0.2719023997
H    2.8515196879  -2.5787089075   0.8196490015
H    4.4872523230  -1.2461932128   0.6529200667
H    3.0132729322   3.4025455322   0.0121959800
H    5.7757830618   0.5815776222   1.6181772204
H    5.0317794293   2.9346842669   1.3141851156
H   -0.8053640751   0.6343896008  -0.9876772095
H   -1.7619339948   1.4954952513   2.2430765087
H   -5.8061575360  -0.5533505878   2.6254373418
H   -6.2838244982  -1.7744811497   1.4239364607
H   -5.0762547557  -2.1500472337   2.6515703812
H   -1.1774039664  -1.4099622150  -2.4530534103
H   -2.1113306226  -0.0399273298  -3.1235154535
H   -2.2592109627  -1.6572744380  -3.8307958496
*