! 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   0.3739630261  -2.8736465677   0.6315800079
Cl   0.5791557175   2.0112173371   1.8873224194
Cl   5.1768446766   1.2561992509  -0.6867842999
O   -1.1300604031  -0.6308757318  -1.4309840592
N   -2.9275550218   1.5489556205  -0.4701730720
N   -3.7419754755   0.8870515045  -1.2937964040
N   -4.9107759346   1.8359543641   0.3644077476
C   -0.7910682239   0.2458957236  -0.3731574407
C   -1.2425047079  -0.4873929715   0.9103667233
C   -1.3552554465  -1.9374146965   0.4816534042
C   -1.4990282306   1.5873922117  -0.6544116371
C   -1.7794619760  -1.7929749384  -0.9593453200
C    0.7151146336   0.5080394144  -0.4103244860
C    1.3933701517   1.2805027657   0.5332483723
C    1.4824289350  -0.0169946806  -1.4473225017
C    2.7585208842   1.5145864213   0.4609269441
C    2.8452788814   0.1993787232  -1.5480135804
C   -3.6379557496   2.1082893765   0.5141442446
C    3.4757266817   0.9677849544  -0.5864636579
C   -4.9177810055   1.0857998591  -0.7544072946
H   -2.2404335993  -0.1621314921   1.2162638851
H   -0.5926863140  -0.3375281276   1.7664595272
H   -2.0630293471  -2.5076434397   1.0800717675
H   -1.2851202658   1.8802821183  -1.6828351724
H   -1.1239655482   2.3800651667  -0.0126132231
H   -1.5204538820  -2.6345070110  -1.6017103353
H   -2.8687387629  -1.6687543303  -0.9910360452
H    1.0052072138  -0.6235673472  -2.2021929492
H    3.2490169210   2.1149943187   1.2142067240
H    3.4021875428  -0.2311536250  -2.3685779599
H   -3.1908524353   2.6994453423   1.2984745972
H   -5.8179217597   0.6787210637  -1.1881794127
*