! 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   3.7443328348  -0.8565629776  -1.5426712526
Cl   3.2185517460   1.9080441566  -0.9326856777
Cl   5.4670323455   0.5806471453   0.2641635817
Cl  -3.9013815667   1.7596470912   0.8310080662
Cl  -5.2473301543  -0.4718648426  -0.3474908707
Cl  -3.6103432744  -0.8641476328   1.9866212170
O    3.9778860740  -0.2913918658   3.5676988106
O   -2.9007064533  -1.2175851325  -3.1444175228
N    1.5267736703  -0.0890970326   0.5339032932
N   -1.2824766203  -0.3161550706   0.1891821340
N    3.4224702727  -1.2096311150   1.5574833735
N   -2.6571902969   0.4887508494  -1.6543157424
C   -0.6580236107   0.9714446948   0.4518524709
C    0.6185872793   0.7852477768   1.2481691322
C   -0.3539570608  -1.2101748315  -0.4907183616
C    0.9174161617  -1.3842375788   0.3150749911
C    2.8968439376  -0.0267051396   0.9379436349
C   -2.5592950998  -0.3109995537  -0.4583468073
C    3.7913291782   0.3757172398  -0.2685726513
C   -3.7534480692   0.0237773483   0.4758980127
C    3.9244967769  -1.2370420131   2.8085931873
C   -2.7937455603  -0.0352825242  -2.8885760235
H   -1.3201103704   1.6031478123   1.0398430936
H   -0.4136533712   1.5115142466  -0.4749027695
H   -0.8234531019  -2.1882321800  -0.6106844713
H   -0.0870286499  -0.8441356399  -1.4935757913
H    0.3732392862   0.3966262439   2.2482006407
H    1.0784247594   1.7647793329   1.3822450761
H    1.5758111547  -2.0397702769  -0.2537524491
H    0.6823873980  -1.8941467557   1.2607070293
H    3.0226334460   0.7847134342   1.6580774307
H   -2.7531587633  -1.3415295180  -0.7613287362
H    3.4574288002  -2.0718330120   1.0343670797
H   -2.5487617427   1.4899284449  -1.5929080224
H    4.2856333288  -2.2388455283   3.0779737458
H   -2.7977547259   0.7439255556  -3.6632996936
*