! 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  -4.1849144548   1.6357681988  -0.6098878129
Cl   0.9557452503   1.1769948305   2.3421341782
Cl   5.2555967608   1.1202446675  -0.8009636064
O   -1.0302044620  -0.8466531686  -1.2090945722
N    0.2549877434  -2.4699002008   0.8418639168
N    1.4394844765  -2.5022308699   1.4571540406
N    1.2861828231  -4.1664780362  -0.0313188895
C   -0.5667151067  -0.2948941483   0.0172838224
C   -1.5367689697   0.8733318400   0.3414105863
C   -2.3841147800   0.9641931262  -0.9189183493
C   -0.6790554226  -1.4021126147   1.0833219324
C   -2.3723791482  -0.4654389948  -1.4191412984
C    0.8806547046   0.1220014036  -0.1829978133
C    1.6389538940   0.7485682130   0.8056234953
C    1.5360234305  -0.1775044265  -1.3748518087
C    2.9759108473   1.0648747884   0.6262266395
C    2.8719754195   0.1221835311  -1.5820642257
C    0.1805572346  -3.4621497998  -0.0504370448
C    3.5847732704   0.7416459995  -0.5728439734
C    2.0216160275  -3.5355318912   0.9061313958
H   -1.0296317213   1.8103882359   0.5534660995
H   -2.1481601697   0.6245778035   1.2112840682
H   -1.9273835113   1.6291461105  -1.6536150703
H   -1.6925885014  -1.8063141893   1.0699972056
H   -0.4997179023  -1.0240888499   2.0859288056
H   -3.0687082963  -1.0952103909  -0.8506998900
H   -2.6022763122  -0.5673496618  -2.4792701258
H    0.9950747237  -0.6641137926  -2.1722366479
H    3.5317866828   1.5515652522   1.4155186407
H    3.3432261867  -0.1312441620  -2.5215541185
H   -0.6852869670  -3.6369796081  -0.6687827743
H    3.0125458655  -3.8510692067   1.1940703703
*