! 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 "1-OCTANOL"
end
*xyz 0 1
S   -1.6864502029   1.3046892238  -0.2165371587
F    0.1921350864  -2.8326089658  -2.8411012167
F    1.1474540883  -2.7999336631  -0.9165141762
F   -0.0835640225  -4.4752170107  -1.4768912641
O   -1.5865951750   1.9061395714  -1.5293292248
O   -2.5967983184   1.8345350487   0.7742529835
O   -4.7624120778  -0.3762814325   1.6456877013
O   -5.0192304247   0.5352552904  -0.3859326443
O   -0.6016538676   0.0789769919   2.2112139822
O    3.2892896628   2.8824427995  -1.8259730700
O    6.0617615438   1.1915771905   1.4916764462
N   -1.0306901586  -1.1396340997  -0.8653962635
N   -0.1382472419   1.3048540826   0.3594606277
N    1.5557890855   0.5913014142   1.7754555283
N    2.4043707189   1.7398701444  -0.0585957609
N    3.8051232505   0.8896984631   1.6356808504
C   -2.0343875464  -0.4480852889  -0.3894157636
C   -3.2514202997  -0.9903170973  -0.0056094570
C   -1.1677790255  -2.4480290085  -0.9763811929
C   -3.3743080031  -2.3687218495  -0.1083477792
C   -2.3181860434  -3.1181444140  -0.5992997157
C   -4.4333189190  -0.1661497314   0.3936729535
C    0.0319999241  -3.1502873115  -1.5543606276
C    0.2117293357   0.6247560874   1.4992673633
C    2.6297979342   1.1016609996   1.0767451601
C    3.4653210903   2.2279693830  -0.6944543372
C    4.8557866224   1.3741054417   0.9883511383
C    4.7525090629   2.0748545513  -0.2081433186
C   -5.9055468651   0.3244913357   2.1498804008
C    1.9669954313   3.0442763741  -2.3336920229
C    6.1961540891   0.4679699947   2.7120734838
H   -4.2920650174  -2.8606709556   0.1839924751
H   -2.4106295053  -4.1910934058  -0.6809441592
H    1.7945290065   0.1002777350   2.6272595493
H    5.6153938751   2.4711776710  -0.7231977809
H   -5.7624137264   1.4025799658   2.0883979815
H   -6.8101460602   0.0430788577   1.6123397759
H   -5.9956942522   0.0309027293   3.1909570659
H    1.5128318541   2.0853078408  -2.5872507345
H    2.0713664150   3.6319261238  -3.2418275279
H    1.3285416959   3.5876532421  -1.6360018784
H    5.6765297180   0.9610126300   3.5336795286
H    5.8298413499  -0.5543836589   2.6173677130
H    7.2618978829   0.4474669907   2.9241945964
H    0.6232831366   1.6503646884  -0.2439831828
*