! 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   -1.3466910886   0.9665581061   0.8591441573
F   -4.2988402981   0.7002266025   2.0580172774
F   -5.4544433802  -1.0480483068   1.6306937736
F   -3.5001735695  -1.2689468185   2.4690558484
O   -1.5755903245   0.6824278666   2.2563743556
O   -1.3747744408   2.3371989470   0.3888803889
O   -0.3588144057  -1.7449248338   0.9429988397
O    6.0593035099  -1.1756758352  -1.1937083448
O    3.4407330408   2.7269499510  -1.0135698575
N    0.1440284496   0.3951440480   0.4154453938
N   -2.0125132019   0.0040208637  -1.4276696941
N    1.7118336373  -1.3045883159   0.1584550073
N    3.8779910481  -1.2508320303  -0.5192741730
N    2.6117194230   0.7440198869  -0.4657886116
C   -2.4588346368   0.0063773011  -0.1926039938
C   -3.6457711090  -0.5988433405   0.2112609359
C   -4.3559571528  -1.2725950067  -0.7774259760
C   -4.2149248068  -0.5517588844   1.6040389940
C   -3.8788354245  -1.3030885484  -2.0735389724
C    0.4489546691  -0.9329667358   0.5365156779
C   -2.7013030547  -0.6372517007  -2.3591771309
C    2.7745125961  -0.5509521807  -0.2968204500
C    4.9188122188  -0.5585355172  -0.9442975656
C    3.6770809879   1.4314500018  -0.8856036562
C    4.8879276043   0.8218982990  -1.1478125922
C    6.1402500687  -2.5881899548  -1.0127430455
C    4.5048517402   3.5746073184  -1.4296167282
H    0.8291036741   1.0316787880  -0.0115232651
H   -5.2823180663  -1.7777331885  -0.5475950100
H   -4.4182279067  -1.8263785330  -2.8488540403
H   -2.2987190748  -0.6164816580  -3.3628055295
H    1.8974651092  -2.2938489890   0.2572625584
H    5.7639439258   1.3503743427  -1.4909682385
H    5.4533839952  -3.1171448066  -1.6724056510
H    7.1608390132  -2.8565946032  -1.2703491958
H    5.9440874378  -2.8746332506   0.0197480064
H    5.3383319059   3.5432785461  -0.7262265485
H    4.0989140491   4.5816157186  -1.4518362054
H    4.8586076043   3.3120094193  -2.4275699208
*