! 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    0.7998752646   0.2956873404   1.2122291851
F    5.1569447288  -3.4727188625   1.1323981364
F    5.0387831118  -3.2696313950  -1.0071790075
F    3.2872307446  -3.8051969956   0.1185302843
O    1.0698791057  -1.1226641948   1.3101413216
O    0.6600085937   1.0700154814   2.4317144112
O   -0.1143951887  -0.5020177472  -1.4910507796
O   -6.7704659690   0.6668196018  -1.0617049929
N   -0.6684576520   0.5391796556   0.4461645311
N   -2.2625253485   0.1147949353  -1.1956196010
N   -3.2628312196   1.0214071070   0.6993749137
N   -4.5184519274   0.3839398141  -1.1827757418
N   -5.5932089357   1.2618354500   0.7238924948
C    2.8997351044   0.4403994357  -0.6552298165
C    3.0904354291  -1.0492205632  -0.7748204938
C    1.9721753711   1.1065860488   0.1535848198
C    4.0456513107  -1.5668548357   0.3031240612
C    3.7609962962   1.2457295885  -1.4024585071
C    1.9061736090   2.4989483549   0.2012016564
C    4.3778755044  -3.0231334226   0.1366804705
C    3.7047355963   2.6269920445  -1.3653469674
C    2.7695152881   3.2612937137  -0.5609920728
C   -0.9490003179   0.0109418496  -0.7795806781
C   -3.3777827908   0.5279097295  -0.5223766840
C   -4.4083186051   1.3723049484   1.2893672621
C   -5.5858339549   0.7666870810  -0.5117886436
C   -4.3192029309   1.9381586368   2.6604188091
C   -6.8769094615   0.1360471334  -2.3824177760
H    2.1432211350  -1.5772848368  -0.7389335206
H    3.5163671283  -1.2380552719  -1.7613793678
H    4.9845169126  -1.0078356348   0.2802253801
H    3.6158288573  -1.4276901251   1.2959048472
H    4.4932172954   0.7635908438  -2.0384815910
H    1.1784560833   2.9978172257   0.8271831025
H    4.3914916850   3.2079125533  -1.9667243821
H    2.7121252305   4.3403357650  -0.5229745728
H   -1.4440308403   0.9319117259   0.9991628839
H   -2.4322230165  -0.2547436708  -2.1227122369
H   -3.9501933004   2.9647844860   2.6093487665
H   -5.2920057687   1.9488224282   3.1447165798
H   -3.6139643402   1.3729117744   3.2682030981
H   -7.9382148175   0.1420710829  -2.6146458887
H   -6.5019128870  -0.8858037489  -2.4344621165
H   -6.3456220747   0.7539293408  -3.1058580453
*