! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX
! DEFGRID2
! 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  -0.3387280401   0.0003192105   0.0002728419
C    1.6129984740  -0.0001334132  -0.0002413209
H    1.9662547938  -1.0237597585   0.0930045407
H    1.9658135960   0.4312633070  -0.9332074135
H    1.9653565504   0.5922392536   0.8400120506
*