! 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
Cl  -4.9405271183  -0.7193408264  -0.1727350348
Cl   5.3149267646   1.1876449961  -0.4340354986
F    1.6036905165  -2.0615118709   0.3765597564
O    4.1936737607  -1.4774826872   0.1679605819
O   -2.7337715846   3.0269743666   0.3301397439
O   -4.5018023151   1.8813980053   1.0596909726
N   -1.3034792701   0.8587135503   0.1667273692
N   -2.9548653885  -2.7880982713  -0.8601826706
C    0.9244204868   0.1328453284  -0.1860392908
C   -0.5245276697  -0.1701373384  -0.1525454867
C    1.9201899808  -0.8042301350   0.0501770590
C   -1.0433111920  -1.4076714566  -0.4902748164
C    1.3416437677   1.4360817228  -0.4654102848
C   -2.4289228825  -1.6069824202  -0.4932380257
C    3.2771164531  -0.5070112240  -0.0216428112
C   -2.6169053354   0.6994700577   0.1769040969
C    2.6786142170   1.7737724927  -0.5388269015
C   -3.2303550925  -0.5056799505  -0.1322692775
C    3.6409669685   0.8010210110  -0.3168513051
C   -3.4016225820   1.9130926966   0.5727611190
C    4.6427495185  -1.6274009761   1.5135958105
H   -0.4083604773  -2.2260705515  -0.7968179644
H    0.5935927341   2.1960423818  -0.6420947528
H    2.9705444700   2.7884499906  -0.7708007270
H   -2.3501933102  -3.5845928511  -0.9645709975
H   -3.9293800046  -2.9869114507  -0.7171538777
H    3.8263282666  -1.9011329970   2.1854708560
H    5.1170811426  -0.7173505619   1.8874968205
H    5.3784290002  -2.4288411445   1.5116471067
H   -3.2626075668   3.7878246468   0.6155185952
*