! 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 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Br  -4.0961610912   0.0442135173  -0.0124638399
O    4.3977483391   1.0691847796  -0.2282298232
O    2.6578513416  -1.9112120106   0.0233524378
N    1.9647040507   0.2626817784  -0.1451222400
N    4.1975946660  -0.2616009556   0.0858842459
C    0.5787517067   0.1256880284  -0.1162467545
C   -0.1661671785   1.2762590044  -0.3866884092
C   -0.1027451793  -1.0536898184   0.1867410060
C    2.9040483738  -0.7143189501  -0.0289023973
C   -1.5483302448   1.2598856103  -0.3586456179
C   -1.4897767897  -1.0711811314   0.2141702244
C   -2.2103266621   0.0792612567  -0.0571726736
C    5.3161941018  -1.0983232901  -0.2899751544
C    4.7900664596   1.8106794185   0.9224424786
H    2.3040307296   1.1989932529  -0.3084735993
H    0.3393701350   2.2049481757  -0.6221755787
H    0.4247142473  -1.9657060249   0.4081946063
H   -2.0905591901   2.1709484738  -0.5716058495
H   -1.9897436205  -1.9998317813   0.4547192002
H    5.5184178835  -1.0513642340  -1.3622101215
H    5.1100535656  -2.1272507586  -0.0143218070
H    6.2039815796  -0.7831914328   0.2559795631
H    4.0253891805   1.7871299920   1.7008507331
H    4.9245821870   2.8360573877   0.5841039385
H    5.7344931057   1.4473803023   1.3329001687
*