! 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   -1.1815552000   0.8589437829   0.9852489027
F   -5.5816680237  -0.3898083081   1.3083616829
F   -3.8506828946  -0.9434921200   2.4369500406
F   -4.1244613959   1.1033587702   1.7929608663
O   -1.4829394348   0.5261329996   2.3584666478
O   -1.1834984973   2.2451118724   0.5597723141
O   -0.1649572093  -1.8615378462   1.1037720080
O    6.0903679004  -1.1969890376  -1.4639282434
O    3.5132770283   2.6576021769  -1.2104631024
N    0.3234188894   0.2963108285   0.6047594015
N   -1.6594771890  -0.2582785941  -1.3014693225
N    1.8759619463  -1.3938825952   0.2573568132
N    3.9769954283  -1.3000772706  -0.6028179557
N    2.6714563966   0.6612272518  -0.4812390799
C   -2.2491942890  -0.0661398309  -0.1443729010
C   -3.5499526397  -0.4673119320   0.1454934053
C   -4.2204392511  -1.1573588925  -0.8587846863
C   -4.2700713691  -0.1748147687   1.4330492367
C   -3.5948796347  -1.3919839928  -2.0683118582
C    0.6229511430  -1.0387955757   0.6848156335
C   -2.3129321868  -0.9081948029  -2.2533200950
C    2.8814326415  -0.6312501292  -0.3003558459
C    4.9626192527  -0.5907921059  -1.1352776976
C    3.6702694059   1.3602565038  -1.0125532110
C    4.8734148097   0.7765640688  -1.3682506383
C    6.2035691479  -2.6040065991  -1.2563924172
C    2.2804399811   3.2698936790  -0.8365139844
H    1.0016288474   0.9089654027   0.1267388028
H   -5.2292301861  -1.5128594745  -0.7076591899
H   -4.1001899070  -1.9289384056  -2.8571965895
H   -1.7922096102  -1.0456364575  -3.1912889249
H    2.0800402698  -2.3813715157   0.3373143246
H    5.6849666510   1.3443574499  -1.7987030278
H    6.1127551569  -2.8647707248  -0.2026170974
H    5.4598911829  -3.1556805177  -1.8302258150
H    7.1961625763  -2.8721340150  -1.6065738144
H    1.4421381716   2.8673384442  -1.4057182271
H    2.3917169347   4.3235775521  -1.0757372728
H    2.0889697608   3.1706020445   0.2321086708
*