! 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    0.6385474590  -0.1658784645   1.0249210720
F    4.6432681851  -4.0645040036  -0.1892801279
F    4.4904684107  -3.1967889964  -2.1531668947
F    2.7149414631  -3.8107883102  -1.1093067534
O    0.8280467861  -1.5427741170   0.6239402346
O    0.4108077824   0.1339009042   2.4272658791
O   -0.1299774096   0.0693359528  -1.8601155424
O   -4.4165687350   1.2698007341   2.5734617587
N   -0.7324168270   0.4538151159   0.2946389704
N   -2.2753336381   0.6275014320  -1.4367938119
N   -4.5303838692   0.9557495467  -1.3669133563
N   -3.2883399852   0.9592085501   0.6259659476
N   -5.6144938263   1.2667615747   0.6976375442
C    2.9071438283   0.4640978456  -0.5120536838
C    3.0018787679  -0.8848244177  -1.1753891022
C    1.9518833442   0.8678616217   0.4276033922
C    3.8085579194  -1.8638737274  -0.3194043912
C    3.8884518457   1.4013790826  -0.8388822501
C    1.9715054680   2.1415055748   0.9951813134
C    3.9115054348  -3.2281196115  -0.9411113720
C    3.9198745338   2.6669146710  -0.2819676269
C    2.9532921056   3.0444091792   0.6383494817
C   -0.9772338308   0.3551812259  -1.0448864105
C   -3.3988327656   0.8557402222  -0.6917825038
C   -5.6149863054   1.1577488343  -0.6231617810
C   -4.4256272574   1.1609602118   1.2687611355
C   -6.9211453647   1.2317673815  -1.3287081519
C   -3.1730050255   1.1636984677   3.2684835348
H    2.0190890634  -1.2841974213  -1.4037328602
H    3.5091706526  -0.7381880400  -2.1298143020
H    4.8217348181  -1.4853424295  -0.1663916781
H    3.3590534068  -1.9792463218   0.6674631199
H    4.6461471563   1.1226763555  -1.5606842647
H    1.2211319871   2.4383675613   1.7153736514
H    4.6995718079   3.3598156725  -0.5689752595
H    2.9640463935   4.0312550248   1.0798573031
H   -1.5243832327   0.6865680338   0.9089982798
H   -2.4279070880   0.5737543550  -2.4363907815
H   -7.6772883064   1.7100266951  -0.7114224347
H   -6.8259017996   1.7629835675  -2.2740130403
H   -7.2636732917   0.2203790114  -1.5595088565
H   -2.7149466473   0.1855055783   3.1218297409
H   -3.4145963959   1.2853934823   4.3204853269
H   -2.4798784691   1.9502799335   2.9700521621
*