! 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 "WATER"
end
*xyz 0 1
Br  -1.0896915924  -3.8488243529   1.5476071231
Cl   0.0563539885   1.5980730452   1.5880088888
Cl   4.4753824560   3.0254019938  -0.9991483217
O   -0.2191561153  -1.5725858967  -1.7012499944
N   -2.0449328475   1.4771322910  -0.8351295720
N   -2.9367479071   1.4870798651   0.1600947009
N   -2.1982816538   3.5652959498  -0.2513716437
C   -0.4575192205  -0.4824706232  -0.8115144043
C   -0.8372023880  -1.1372186838   0.5357912251
C   -1.2105731471  -2.5459155911   0.1092705762
C   -1.6337478711   0.2598314965  -1.4825228178
C   -0.2140163305  -2.8014779836  -0.9993704129
C    0.7825015364   0.4056208919  -0.7775858166
C    1.0768057374   1.3471670465   0.2094610311
C    1.6785486590   0.3266798348  -1.8448767855
C    2.2068111873   2.1521597841   0.1505156019
C    2.8103586357   1.1166890870  -1.9313559635
C   -1.6128670162   2.7189725303  -1.0614746421
C    3.0675672462   2.0273970751  -0.9227551956
C   -2.9890909300   2.7547668048   0.4755974614
H   -1.6481156934  -0.6250236650   1.0471810256
H    0.0237316887  -1.1691125431   1.2039079673
H   -2.2328756343  -2.5975274511  -0.2684191750
H   -2.4990266851  -0.4006508476  -1.5334314954
H   -1.3518696005   0.5077579571  -2.5062194058
H    0.7806413801  -3.0284595277  -0.5993057638
H   -0.5074991053  -3.5948761925  -1.6853816336
H    1.4939406652  -0.3777154582  -2.6419929534
H    2.4049002061   2.8670157915   0.9367262978
H    3.4763147282   1.0163299582  -2.7766052787
H   -0.8983088323   2.9600729910  -1.8328092313
H   -3.6380410304   3.1122852710   1.2594965739
*