! 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   2.5817987663  -1.9429530267  -0.1828447036
Cl   3.5952231978   1.0265738278   0.1661787673
O   -3.2493975659   1.7282109190   0.0965166379
N   -2.1682444472  -0.2545609516  -0.1307099253
C   -0.8288566666   0.1208763581  -0.0523753728
C   -4.5946996676  -0.2179524082  -0.2029408564
C   -3.2832976767   0.5195582879  -0.0541810356
C    0.1100935924  -0.9078595068  -0.1376412924
C   -0.3772950938   1.4326522810   0.1021411646
C   -4.6244862543  -1.6803342730   0.2158335416
C    1.4640816018  -0.6379455840  -0.0720895664
C    0.9816685299   1.6882444664   0.1671903335
C    1.9134736404   0.6678158354   0.0819393896
H   -5.3322804871   0.3495440119   0.3652537936
H   -4.8895748233  -0.1263867883  -1.2533297754
H   -2.3201308196  -1.2434321830  -0.2620475670
H   -0.2171276361  -1.9332362787  -0.2562467894
H   -1.0626195640   2.2597560471   0.1716526573
H   -4.2523869150  -1.8237667734   1.2311194553
H   -4.0520993192  -2.3250700200  -0.4541651836
H   -5.6506161087  -2.0464534515   0.1922532143
H    1.3172553677   2.7094623145   0.2863937745
*