! 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  -1.4684200644  -3.1857371504   1.2740334488
Cl   1.0686273170   1.9027217819   1.8148784594
Cl   5.6291118141   1.5845291817  -0.9231156617
O   -0.6347483342  -0.4978117642  -1.6519146505
N   -2.4896736296   1.4961720266  -0.5864960447
N   -3.2820144894   0.9362609172  -1.5049638387
N   -4.4506809342   1.4187553050   0.3508742514
C   -0.2856229773   0.3474316883  -0.5685035078
C   -0.6722417018  -0.4453582818   0.7101463598
C   -1.5038821519  -1.5910978992   0.1572287983
C   -1.0686765562   1.6525658095  -0.7756423049
C   -0.8691119044  -1.8164223438  -1.1992283871
C    1.2046931363   0.6708082299  -0.6246728366
C    1.8832452551   1.3575394452   0.3820947019
C    1.9530819806   0.2920613984  -1.7356599614
C    3.2371207661   1.6439429167   0.3032670008
C    3.3073428949   0.5613972441  -1.8432090206
C   -3.1990895854   1.7704079052   0.5094681543
C    3.9402223246   1.2371546965  -0.8162583270
C   -4.4389347924   0.9146941123  -0.8963435977
H   -1.2122114192   0.1436750814   1.4481663660
H    0.2241997716  -0.8316287074   1.1961172604
H   -2.5554258467  -1.3209991410   0.0513637365
H   -0.8896427817   2.0223309277  -1.7848616114
H   -0.7337635080   2.4251979747  -0.0874756144
H    0.0647338971  -2.3850458453  -1.1170076692
H   -1.5230487543  -2.3171632734  -1.9120841588
H    1.4741951815  -0.2330763336  -2.5487215159
H    3.7302756296   2.1738145407   1.1060099663
H    3.8529919199   0.2445748606  -2.7206149678
H   -2.7734140424   2.2412270588   1.3819219521
H   -5.3198510299   0.5215795299  -1.3787684758
*