! 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   -2.6711284323  -0.3689392222  -1.7047247642
F    2.2261984895   4.0740615566   1.6430916410
F    2.7682393427   4.3741288708  -0.4312766583
F    6.8187730870  -1.0396714821   0.5539030646
F    5.1144212694  -1.9761571795   1.5003039296
O   -2.8208900023  -0.8537434057  -3.0583855192
O   -3.0442303829   0.9939825475  -1.3763476260
O   -2.2129078410   0.3598644082   1.3609199908
O   -4.3182359756   1.0115950128   1.7457592023
O   -0.8182028020  -2.6756740917  -1.6904538518
O    1.1879795449   2.8735068075   0.0680131409
O    4.9598311605   0.0509204308   0.5960419562
N   -1.0681525545  -0.4617657434  -1.2631184209
N    0.9607816591  -1.5394448772  -0.8986681040
N    1.1339856555   0.7165315289  -0.3752207998
N    2.9559690093  -0.7533723149  -0.1442497486
C   -3.5406912900  -1.4703875534  -0.6198884135
C   -3.9179147433  -1.0635345872   0.6615245845
C   -3.9498332674  -2.6918128800  -1.1323906433
C   -4.7221287199  -1.9062066950   1.4162030836
C   -4.7278633899  -3.5332841455  -0.3523877110
C   -5.1145424407  -3.1399057199   0.9176419724
C   -3.5224484614   0.2316615875   1.2932003883
C   -0.3516934222  -1.6227318277  -1.3176785826
C    1.6977308443  -0.4722610273  -0.4573265389
C    1.8891482758   1.7241163009   0.0355033044
C    3.6810071706   0.2605029623   0.2635813469
C    3.2160565329   1.5669845013   0.3808923369
C   -1.6958151937   1.5667013359   1.9267838244
C    1.7404955570   4.0852466190   0.3875108962
C    5.4958577127  -1.2129889384   0.4610937791
H   -3.6795804428  -2.9898432619  -2.1347775448
H   -0.6143584691   0.3867421334  -0.9064216191
H   -5.0347012856  -1.6029494089   2.4066461536
H   -5.0398642245  -4.4895546308  -0.7489212053
H   -5.7312334334  -3.7891298578   1.5241803755
H    1.4611496160  -2.4181994609  -0.9385457259
H    3.8738015420   2.3504178049   0.7210344271
H   -0.6198552624   1.4317163299   1.9804095813
H   -2.0831808464   1.7338034393   2.9317395766
H   -1.9295905349   2.4263433160   1.2983263181
H    0.9625350422   4.8390294942   0.2935631003
H    5.2432080021  -1.7074242062  -0.4757125504
*