! 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   -1.4248365355   0.4789869677   1.1880837818
F   -4.8582921756  -3.2514461175   1.5442350027
F   -4.0988154667  -4.9956180159   0.5359121166
F   -3.1249460865  -4.2646789405   2.3108789784
O   -2.1390222653   1.6033832956   0.6201338489
O   -1.5759987886   0.1715388793   2.5907406274
O   -0.9968611880   0.8034507649  -2.0435227232
O    0.6936052070  -0.6597714792  -2.1746630592
O    0.8764334321  -1.2903503539   1.5125148301
O    1.7937038550   4.5300229222  -0.6358953338
O    5.9196774497   2.4509163057  -1.0788978587
N   -2.5485046362  -1.8514318844   0.9199581595
N    0.1657480087   0.7418448757   0.8012759379
N    2.4129172113   0.1661801756   0.7226139595
N    2.0643075601   2.3585895283   0.0308051438
N    4.1611653338   1.2984053364  -0.1850402937
C   -1.7842382882  -1.0208058490   0.2604597390
C   -1.2758993052  -1.2656074351  -1.0108186061
C   -2.8560174622  -3.0073618908   0.3550396811
C   -1.5653353658  -2.5024354510  -1.5662906602
C   -2.3773543825  -3.3921473159  -0.8821665120
C   -0.4023370180  -0.3388514621  -1.7924977333
C   -3.7440176166  -3.8908421598   1.1890077853
C    1.1371688935  -0.1970394154   1.0552193900
C    2.8892186794   1.3323299643   0.1576085545
C    2.5726988369   3.4715838088  -0.4930086862
C    4.6525001238   2.4133723378  -0.7092733702
C    3.8935952058   3.5636081042  -0.8921335033
C   -0.2876609715   1.7521071799  -2.8520806535
C    0.4515947553   4.4782231337  -0.1579215656
C    6.7226493345   1.2818605867  -0.9206210923
H   -1.1732095646  -2.7702638072  -2.5376426228
H   -2.6113025423  -4.3520870717  -1.3174816053
H    3.0997036434  -0.5668750748   0.8425991412
H    4.3066582746   4.4681071037  -1.3135061658
H   -0.1526264578   1.3701204878  -3.8627185803
H   -0.9107822319   2.6397517408  -2.8827216635
H    0.6856460335   1.9932595041  -2.4273908367
H    0.0418428616   5.4700353536  -0.3247761254
H    0.4093688905   4.2525199571   0.9074376568
H   -0.1512111727   3.7587234926  -0.7137938503
H    7.7063575543   1.5507601056  -1.2944209765
H    6.8042254606   0.9881970255   0.1250889747
H    6.3346195677   0.4462507826  -1.5018781102
H    0.4717438379   1.6770938078   0.4877411633
*