! 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  -4.1490543992   0.2340935012  -0.1937789499
Cl   0.9485433590   1.7008939872   2.1553904345
Cl   5.3013251229   1.1908749999  -0.8794904214
O   -1.1089797716  -0.4566739454  -1.2753398051
N    0.1067536790  -2.1035695020   0.7694457592
N    1.2971893514  -2.2007806431   1.3653123187
N    1.0076404955  -3.8834126581  -0.0816218995
C   -0.5992180038   0.1038403084  -0.0793123634
C   -1.4943337656   1.3415068623   0.2038579487
C   -2.5923444189   1.2565924970  -0.8442802748
C   -0.7537328324  -0.9717281577   1.0069665217
C   -1.8889192611   0.5062257311  -1.9490257295
C    0.8743681603   0.4479897585  -0.2729501762
C    1.6435879603   1.1204698130   0.6745687918
C    1.5372141243   0.0144370614  -1.4180037599
C    2.9975868335   1.3582987702   0.5001563877
C    2.8881722925   0.2370925843  -1.6236498848
C   -0.0509846305  -3.1097733431  -0.0944863102
C    3.6107557258   0.9085451691  -0.6553023189
C    1.8001300592  -3.2808713667   0.8269348510
H   -0.9437146728   2.2672352912   0.0274614182
H   -1.8637682043   1.3818369154   1.2264701017
H   -2.9697188885   2.2301386532  -1.1512281381
H   -1.7890591138  -1.3109913934   1.0344792578
H   -0.5109178764  -0.5795139699   1.9908825729
H   -2.5380767481   0.0022929955  -2.6640044612
H   -1.2629941039   1.2189826515  -2.5047603122
H    0.9889143750  -0.5233300579  -2.1774331856
H    3.5622236624   1.8825102285   1.2585468726
H    3.3636689959  -0.1187271421  -2.5271643514
H   -0.9390834766  -3.2410184205  -0.6917002596
H    2.7742559421  -3.6535240782   1.1036735091
*