! 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   -1.4828509071   1.2089778543  -0.6630749092
F   -3.3398069890   1.4049373524   2.4264906016
F   -4.1565694353   1.5451158756   0.4382822872
F   -5.0855323616   0.2766611406   1.8950663330
O   -1.3288952702   2.2176005316   0.3661329075
O   -2.3494861558   1.4342239122  -1.7962671891
O   -0.4091406121  -0.2522153098  -3.1118974636
O    5.7825475876  -1.7018532317  -0.7556426113
O    3.2159751690   1.1920908753   1.8093312349
N    0.0505198897   0.9009546197  -1.1838218005
N   -1.1919947508  -1.3493410045  -0.1992429913
N    1.6291096769  -0.4755197833  -2.1842749750
N    3.7013547373  -1.0917992045  -1.4783974470
N    2.4035505642   0.3765963556  -0.1657038220
C   -1.9622876312  -0.3424274262   0.1391390422
C   -3.0379547153  -0.4470102753   1.0178122662
C   -3.2800854101  -1.7045109026   1.5558611130
C   -3.9061537913   0.7035164122   1.4425746625
C   -2.4740356939  -2.7704123061   1.2003911516
C    0.3510306473   0.0286591383  -2.2143805137
C   -1.4372421327  -2.5474844238   0.3148509329
C    2.6156489865  -0.3867899891  -1.2239854183
C    4.6665434338  -1.0180666358  -0.5720066092
C    3.3804426874   0.4415106451   0.7341737605
C    4.5684452840  -0.2506535057   0.5828846755
C    5.9185376547  -2.5103660706  -1.9226342557
C    1.9864153012   1.8944505296   1.9800322253
H    0.7944994386   0.9905498851  -0.4681888301
H   -4.0907150090  -1.8627944000   2.2524411099
H   -2.6483046556  -3.7555458407   1.6065199343
H   -0.7822081465  -3.3500833352   0.0042810671
H    1.8554473628  -1.0669037974  -2.9729454041
H    5.3638346956  -0.1989281896   1.3115053239
H    5.1567066751  -3.2878073756  -1.9654019957
H    5.8781027116  -1.9138200925  -2.8331337677
H    6.8973903396  -2.9746310099  -1.8431326159
H    1.1438280794   1.2090322991   2.0731167847
H    1.8071640425   2.5992956660   1.1684338768
H    2.0906155659   2.4480294498   2.9085694770
*