! 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   2.5671393337  -1.8752710288   0.1799954079
Cl   3.9940593639   0.9229534424  -0.0553977352
O   -2.4303510899  -1.5741525672  -0.0711685455
N   -1.9068302135   0.6399555256  -0.0408450560
C   -0.5145511966   0.6274199076  -0.0434443531
C    0.2587185699  -0.5271208137   0.0574323667
C    0.1269779860   1.8642256910  -0.1460709298
C   -2.7742390535  -0.4067784708  -0.0254309885
C    1.6423027903  -0.4276675212   0.0534099084
C    1.5032936028   1.9488142526  -0.1486453966
C    2.2770116180   0.8018710931  -0.0494712151
C   -4.2196565468  -0.0303649401   0.0376682488
C   -5.1493623270  -0.9413102952  -0.6987780393
C   -4.6304091461   1.0016194929   0.7725929361
H   -2.3214500169   1.5571087164  -0.1074269165
H   -0.1942301128  -1.5011745501   0.1384269198
H   -0.4543452303   2.7746766589  -0.2239243215
H    1.9796958803   2.9162416326  -0.2291472274
H   -5.0704747371  -1.9659287919  -0.3331747638
H   -6.1830725347  -0.6190958676  -0.5835532466
H   -4.9177827199  -0.9657155647  -1.7655474042
H   -5.6824160043   1.2439100506   0.8536756615
H   -3.9561934942   1.6266999746   1.3451817372
*