! 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   0.7822109853  -1.5093185551  -2.1196548598
Cl   5.0360250873   1.0640121092  -0.2049267693
O   -1.1453424612  -1.6064796963   0.1260289359
O   -1.2773950703   0.1603695201   1.5130836013
N   -1.2873776321   1.9142948821  -0.8492754521
N   -0.3715202765   2.3959066469  -1.6929442369
N   -1.0706813738   4.0005959821  -0.2977474293
C   -0.8430651695  -0.2462620428   0.2475877391
C   -1.8017324404  -2.0663122931   1.3066751925
C   -2.2518919294  -0.7669034041   1.9542066643
C   -2.9243524104  -3.0138099454   0.9403197589
C   -1.6287679668   0.5157521256  -0.8383851075
C    0.6492893892   0.0264962896   0.1399637437
C   -3.6603930221  -3.5462979967   2.1648290985
C    1.4359149929  -0.4754022309  -0.8943167549
C    1.2696099021   0.8643029095   1.0618128590
C   -4.7674625506  -4.5191409241   1.7892960634
C    2.7835334000  -0.1688128388  -1.0043070251
C    2.6113205832   1.1933890225   0.9718226805
C   -1.6908497939   2.8796693874  -0.0184595597
C    3.3590617521   0.6697043030  -0.0665984693
C   -0.2758543967   3.6478993828  -1.3279496261
H   -1.0733200655  -2.5781541458   1.9482250063
H   -3.2584345317  -0.4745790964   1.6279833573
H   -2.2372186301  -0.7903322908   3.0429122010
H   -2.5141381654  -3.8530976060   0.3714217364
H   -3.6289782709  -2.4976634957   0.2797339272
H   -2.6991903084   0.4094432463  -0.6549343715
H   -1.4253292763   0.1151235078  -1.8283909142
H   -4.0901920510  -2.7169149350   2.7352205760
H   -2.9501205508  -4.0407531105   2.8340439280
H    0.6980441211   1.2818515961   1.8777055639
H   -5.2877720568  -4.8901630643   2.6731711018
H   -5.5112501687  -4.0459405253   1.1451253708
H   -4.3715965074  -5.3841188870   1.2535419063
H    3.3709879005  -0.5775559119  -1.8146565907
H    3.0585791741   1.8497278109   1.7051881209
H   -2.4301699852   2.7258877296   0.7515442383
H    0.3891788593   4.3360836419  -1.8265304850
*