! 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    1.3982867531   1.7264536353   1.6361665752
F    0.1775992737  -2.6803077312   0.2345429705
F    1.8622301244  -3.6638458115  -0.6691594696
F    0.2228991005  -2.9946526088  -1.8937149814
O    1.5724890513   0.7541238149   2.7010905887
O    1.1902462349   3.1140832258   1.9978312847
O    0.1410888475   2.7807266454  -0.7994860781
O   -5.4452235079  -1.0435608701  -1.2347524425
N    0.0710381175   1.1646858354   0.7933792105
N   -1.6053231344   1.3531120548  -0.8103773536
N   -2.0938611728  -0.3345960078   0.7138016621
N   -3.5335701978   0.1797177000  -1.0736104119
N   -4.0864631384  -1.5381384795   0.4481202551
C    3.1581333324   0.4108894715  -0.0649230027
C    2.5160635664  -0.9317256698   0.1699415584
C    2.7282331143   1.6302705573   0.4701615866
C    1.6550212099  -1.3341808256  -1.0299425741
C    4.2489683400   0.4571985652  -0.9298461262
C    3.3501580336   2.8333107868   0.1524350607
C    0.9833759624  -2.6652324766  -0.8406563811
C    4.8797240611   1.6469402755  -1.2528438939
C    4.4288703544   2.8413097649  -0.7124967979
C   -0.4215266445   1.8352867414  -0.2921055311
C   -2.4303154459   0.3583130007  -0.3604791740
C   -2.9626514545  -1.2801458344   1.0856454108
C   -4.3188892679  -0.7764782172  -0.6204477703
C   -2.6242661446  -2.0703222185   2.2955784796
C   -5.8101171393  -0.2790899977  -2.3856219634
H    3.3156296568  -1.6615133167   0.3055170777
H    1.9325393496  -0.9540477140   1.0855591286
H    0.8803475661  -0.5895881566  -1.2210861008
H    2.2636943487  -1.3902409995  -1.9342949746
H    4.6135600691  -0.4692254055  -1.3564454731
H    2.9999703080   3.7647199012   0.5717092013
H    5.7250285217   1.6391216681  -1.9273681008
H    4.9110620901   3.7766645005  -0.9593640763
H   -0.4936623591   0.3951485777   1.1861690403
H   -1.9297601680   1.8488999078  -1.6311042871
H   -1.6910120504  -2.6126433981   2.1448308383
H   -2.4707819169  -1.4054678425   3.1457468559
H   -3.4086547869  -2.7810722644   2.5371923646
H   -5.0828352889  -0.3940201016  -3.1877939481
H   -5.9222719345   0.7763726074  -2.1422063655
H   -6.7675185087  -0.6774484073  -2.7075203744
*