! 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    2.0927685935  -1.6403737064  -0.0049945276
F   -0.1798086564   1.5214293887  -0.8635046658
F   -0.0450536639   0.7990909795  -2.8931479427
F    0.8223571181   2.6874108191  -2.3565160742
O    1.7400830394   0.7626768587  -1.6952218727
O    2.4194342915  -2.4845072229   1.1227018865
O    2.4855283844  -2.0434877818  -1.3387036579
O   -4.7281099579   0.2528881118   1.4971782190
O    0.1837766636  -0.6549143477   2.0041487190
O   -1.8428036096  -1.5057096986  -1.5633152137
N    0.4347799200  -1.4634669059  -0.1040759125
N   -1.6416267326  -0.8135484060   0.6618831527
N   -3.5768250978  -0.6554348079  -0.2689502377
N   -2.4696989687  -0.2729068789   1.6192313785
C    2.6829392478  -0.0099048054   0.3407239883
C    2.4646715722   1.0380300359  -0.5507673049
C   -0.2923745084  -0.9603060336   0.9407071108
C    3.4346373199   0.1919354450   1.4885732625
C   -2.3009459165  -1.0508204014  -0.5315458371
C   -3.6030033996  -0.1994646272   1.0192422437
C    3.0012605619   2.2860219777  -0.3018849802
C    3.9637634967   1.4459365257   1.7450299648
C    3.7474860516   2.4829579064   0.8525339213
C   -4.6864067210  -0.6989389020  -1.1978500958
C    0.6018846001   1.4435357410  -1.9417354644
C   -4.6993795639   0.7728641705   2.8324521077
H   -0.0167417953  -1.6929412492  -0.9931778904
H    3.6070761141  -0.6173673931   2.1830286188
H    2.8676403790   3.1025057941  -0.9964640353
H    4.5480114479   1.6064179723   2.6395515366
H    4.1663724619   3.4606009982   1.0449450518
H   -5.5125130753  -1.2616084979  -0.7715969135
H   -4.3582175924  -1.1989510243  -2.1035210259
H   -5.0159912117   0.3055760809  -1.4505216730
H   -5.7058979631   1.1229088579   3.0354080187
H   -3.9998899333   1.6041035394   2.9091712712
H   -4.4306895547  -0.0043680234   3.5463757929
*