! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Br  -0.3378539626  -4.0862083430   1.4388885521
Cl   1.1632507162   1.3653779428   2.2434704958
Cl   3.9478447631   2.9101934551  -2.0290898263
O   -1.3691078065  -0.8661157081  -0.8093026803
N   -2.3173821726   1.7096644094  -0.3173403809
N   -3.4100772852   1.3907159213  -1.0145779635
N   -2.4940872580   3.2726734043  -1.8127757131
C   -0.7653577058  -0.1331519718   0.2426042602
C   -0.4268562468  -1.1772415926   1.3403905018
C   -1.1509704599  -2.4200376958   0.8435350409
C   -1.8243286113   0.8637306182   0.7404482272
C   -1.0921870720  -2.2431179011  -0.6595356952
C    0.4565419244   0.6067024247  -0.2904557061
C    1.3473928821   1.3136570348   0.5174661559
C    0.6909993722   0.6513907295  -1.6628510186
C    2.4205380990   2.0213660269  -0.0020539440
C    1.7553457427   1.3464415117  -2.2115362500
C   -1.7797161078   2.8323806661  -0.8066098400
C    2.6152516711   2.0297910552  -1.3715247364
C   -3.4778163788   2.3537084847  -1.8966133467
H   -0.7632751365  -0.8738220966   2.3306450562
H    0.6477303011  -1.3524442942   1.3900315464
H   -2.1868170185  -2.4441346107   1.1860487026
H   -1.4240902132   1.4923604185   1.5338245806
H   -2.6747099333   0.3214935501   1.1527514830
H   -0.1038954542  -2.5050850014  -1.0584353966
H   -1.8494977949  -2.8105768283  -1.2004847193
H    0.0213962162   0.1314933684  -2.3323917691
H    3.0906651048   2.5568360893   0.6561481133
H    1.9005104723   1.3545271403  -3.2828222732
H   -0.8926695394   3.2928113560  -0.3975043610
H   -4.2725505614   2.4024493747  -2.6250473870
*