! 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    1.0535469017   1.6324714824  -1.5215878637
F    0.5201624381  -3.2235084313   1.1098174465
F    2.3209976249  -4.3872254637   1.3053122466
F    1.6879565350  -3.6946497748  -0.6311128538
O    0.9617820168   2.9712291534  -2.0611451905
O    1.0615176071   0.5052399676  -2.4352089801
O   -0.0403401837   3.1649637412   0.7691267618
O   -3.2864026938  -1.8624908870  -1.2281197380
N   -0.2732479503   1.3319235760  -0.5494463497
N   -1.9150186970   1.9275458652   0.9868720572
N   -3.9948236490   1.0703158753   1.3249978727
N   -2.5288354940   0.0065713075  -0.1730723069
N   -4.6919468463  -0.8492228796   0.1620543250
C    2.7898444694   0.3758964834   0.2577078379
C    1.9859501986  -0.8955629985   0.1385987693
C    2.4370502449   1.5580383617  -0.4149797018
C    2.5871899774  -2.0914610916   0.8649438648
C    3.9186152289   0.4428448945   1.0682708928
C    3.1684850299   2.7310215051  -0.2841328389
C    1.7808258301  -3.3439226826   0.6611927036
C    4.6618570885   1.6075196052   1.2007213471
C    4.2911696571   2.7558787435   0.5252501704
C   -0.6885969585   2.2080364653   0.4150892568
C   -2.8383925196   0.9623918128   0.6947701325
C   -4.8952949328   0.1404842482   1.0188575383
C   -3.4922032598  -0.8724829794  -0.3957326238
C   -6.2116807086   0.2135927023   1.7054505759
C   -2.0105009739  -2.0015871307  -1.8495483186
H    0.9841600865  -0.7048165118   0.5323131743
H    1.8683521065  -1.1402324336  -0.9164463913
H    3.5999124446  -2.2914540153   0.5090805124
H    2.6474824954  -1.9119248589   1.9400820925
H    4.2414849298  -0.4298245281   1.6179935215
H    2.8706434192   3.6272710044  -0.8085548447
H    5.5352365284   1.6089845280   1.8393933362
H    4.8637645357   3.6675322278   0.6251469064
H   -0.8922369464   0.5507083902  -0.7976848147
H   -2.2117782994   2.6006027291   1.6827902897
H   -6.1175303127  -0.1861291357   2.7177452820
H   -6.5453677931   1.2458905635   1.7973467686
H   -6.9636280191  -0.3702188335   1.1806176457
H   -2.0890781016  -2.8770108952  -2.4877787004
H   -1.2260287674  -2.1738452943  -1.1115787725
H   -1.7618437980  -1.1368625303  -2.4652612297
*