! 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   -1.9627569304   1.3275205472   0.2008732984
F    0.9074402550  -3.1654055326  -1.9777263184
F    1.6753256327  -1.8526982333  -0.4547974262
F    0.9956240767  -3.8279166721   0.0654649579
O   -2.0182946219   2.0590249848  -1.0475798343
O   -2.9181589431   1.5841806741   1.2557510843
O   -4.6190216101   0.4558375147  -0.7533643646
O   -5.3751343996  -1.1448082946   0.6213803644
O   -0.6549039958   0.3211349875   2.6495472088
O    5.8159254539   0.5695672592   0.6812506686
O    2.7232186252   2.6270953302  -2.1015759988
N   -0.7688826994  -0.9487497339  -0.3130712608
N   -0.4230420142   1.5714699691   0.7583659430
N    1.4289676443   0.7576524237   1.9087316685
N    3.6175674218   0.6599757039   1.3012529140
N    2.0544173689   1.7192620380  -0.1128541674
C   -1.9670124751  -0.4488914253  -0.1389234989
C   -3.1320393937  -1.2039154603  -0.1480463338
C   -0.6455113746  -2.2497362422  -0.4865129899
C   -2.9855566571  -2.5765733366  -0.2971174461
C   -1.7245967559  -3.1169006855  -0.4714654502
C   -4.5010927215  -0.6318755368  -0.0277462663
C    0.7513516116  -2.7697398504  -0.7110075137
C    0.0636627836   0.8424079843   1.8245830857
C    2.4030942665   1.0603560418   0.9781774129
C    4.5736596116   0.9419331270   0.4265090749
C    3.0216132807   1.9856919151  -0.9855118302
C    4.3365555055   1.6153257849  -0.7658187439
C   -5.8518673427   1.1809326342  -0.6765818770
C    6.0936818121  -0.1425234211   1.8852971455
C    1.3679937757   3.0013468221  -2.3425437624
H   -3.8535797118  -3.2210352868  -0.2921186231
H   -1.6020648260  -4.1837604690  -0.5914130758
H    1.7594786321   0.2505934240   2.7192771333
H    5.1232106927   1.8339554988  -1.4726489494
H   -6.0485511637   1.5106041506   0.3420580916
H   -5.7267668995   2.0446286849  -1.3207731694
H   -6.6829066744   0.5765502774  -1.0352818730
H    5.5549520325  -1.0884270554   1.9267046573
H    5.8543361665   0.4488732330   2.7680696486
H    7.1615729190  -0.3404977108   1.8672150429
H    0.7173698531   2.1294751575  -2.4144823165
H    0.9953769754   3.6822963796  -1.5774666714
H    1.3715498905   3.5150621935  -3.2994471067
H    0.2837728319   1.8500025632   0.0578311939
*