! 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   -1.3399931434   0.9609810122  -0.4082295989
F   -3.6508125015   1.5200134226   2.2696986713
F   -3.9999425313   1.9881111158   0.1966111867
F   -5.4982750469   0.9625018523   1.3345848852
O   -1.1348779148   1.8202800980   0.7415211987
O   -1.8826907469   1.4912028801  -1.6386119229
O   -0.2796729017  -0.6557405710  -2.7305609425
O    6.2874920568  -1.0528243543  -1.0938512789
O    3.5017007477   0.9366879248   2.0388766594
N    0.1387461629   0.2922712633  -0.6929099762
N   -1.8440724438  -1.6018372534  -0.1853636528
N    1.8116308654  -0.7563943915  -1.9041055317
N    4.0422393225  -0.9142069574  -1.5013666367
N    2.6309203887   0.0983423695   0.0967032386
C   -2.3639613964  -0.4358215078   0.1119219502
C   -3.5928566485  -0.2686847178   0.7496666140
C   -4.2838579453  -1.4277748084   1.0780796004
C   -4.1832632522   1.0588155577   1.1361801887
C   -3.7435296625  -2.6612732371   0.7636693085
C    0.4888781522  -0.3872194659  -1.8353715886
C   -2.5168080012  -2.7014949172   0.1297073455
C    2.8692354240  -0.5051957661  -1.0552593853
C    5.0787941699  -0.6800296658  -0.7088684725
C    3.6814811991   0.3279237303   0.8795502856
C    4.9646761008  -0.0474729065   0.5233540954
C    6.4480999934  -1.6858021165  -2.3617263199
C    2.1883697813   1.3544721448   2.4058081811
H    0.8757045930   0.4206760615   0.0188915963
H   -5.2405040917  -1.3803626414   1.5782321193
H   -4.2664539915  -3.5734714827   1.0094045558
H   -2.0540833735  -3.6434250501  -0.1325316121
H    2.0572717049  -1.2389819305  -2.7584613837
H    5.8182888767   0.1420612105   1.1571828770
H    6.1187470440  -1.0438832444  -3.1778623607
H    7.5136691817  -1.8715318900  -2.4622827308
H    5.9134467199  -2.6337627567  -2.4091281540
H    1.5054776605   0.5091754143   2.4911046509
H    1.7898712965   2.0878100641   1.7046662838
H    2.2910836613   1.8218371054   3.3809164108
*