! 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   -2.5851486998   0.1156333284  -1.5787277312
F    0.2187826775   4.3744540225   0.8004665261
F    0.2737759227   3.4884887921  -1.1700616278
F    5.7092607093  -2.0306535278  -0.5996369707
F    6.2512281241  -2.0305216479   1.4918352803
O   -3.1288146480  -0.1734702215  -2.8873305936
O   -2.8020879560   1.4222604311  -0.9830966394
O   -2.9791586382   0.8399161376   2.4184607401
O   -1.0958226996   0.3506968981   1.3176623697
O   -0.8818075072  -2.2000335769  -2.2916691170
O    1.7159015801   2.8669284503   0.4169533649
O    4.8925970922  -0.5032959629   0.8008113458
N   -0.9255354105  -0.0285270673  -1.6344127023
N    1.0144549662  -1.2979913794  -1.4657105696
N    1.3520745371   0.8214162996  -0.5578509751
N    2.9521503407  -0.8930866522  -0.3494834474
C   -3.1450460127  -1.1337726380  -0.4497218089
C   -3.0424156988  -0.9525185864   0.9317988385
C   -3.7897048141  -2.2394155540  -0.9801716947
C   -3.6040213151  -1.9041589311   1.7708983929
C   -4.3238130927  -3.1930396878  -0.1262497160
C   -4.2326952584  -3.0241173998   1.2442724341
C   -2.2632817120   0.1575559768   1.5526256871
C   -0.3118512460  -1.2353312613  -1.8298801348
C    1.7900310966  -0.4111624188  -0.7582795923
C    2.1271488187   1.6154705399   0.1600728966
C    3.7075352801  -0.0700347821   0.3469281159
C    3.3539825773   1.2322993756   0.6589959762
C   -2.3165943463   1.8854843908   3.1407105650
C    0.4113826933   3.2284615986   0.1420639094
C    5.2362061683  -1.8332185929   0.6434362289
H   -3.8875701172  -2.3642022627  -2.0481880574
H   -0.3780561601   0.7030509378  -1.1704165529
H   -3.5345637206  -1.7860056859   2.8436295473
H   -4.8164012438  -4.0614475861  -0.5399583598
H   -4.6529570394  -3.7622686038   1.9129821552
H    1.4377777480  -2.2046025907  -1.6185542598
H    3.9778836711   1.8862614341   1.2491968418
H   -1.4781215775   1.4988174845   3.7180922450
H   -3.0618078902   2.2988012736   3.8124880371
H   -1.9680700971   2.6683625680   2.4670976048
H   -0.3233092434   2.4879585926   0.4554233267
H    4.4270548904  -2.5306721227   0.8509315031
*