! 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  -4.2186321215   1.5936046165  -0.5500930547
Cl   0.9295398826   1.2232400567   2.3210307636
Cl   5.2668991196   1.0590139089  -0.7660643250
O   -1.0373510911  -0.8328328550  -1.2140303285
N    0.2420841734  -2.4612741524   0.8470523253
N    1.4232714947  -2.4958623086   1.4722326721
N    1.3386744843  -4.0641927774  -0.1299009883
C   -0.5739904498  -0.2906426721   0.0156415770
C   -1.5330664792   0.8876495959   0.3378082867
C   -2.4128417342   0.9580357035  -0.9019019342
C   -0.6986203513  -1.3952492789   1.0827974425
C   -2.3893387950  -0.4695953924  -1.4051184443
C    0.8797339360   0.1048465519  -0.1758005324
C    1.6286964384   0.7561646265   0.8032885294
C    1.5524786730  -0.2499410556  -1.3425871164
C    2.9696810214   1.0600227422   0.6325689122
C    2.8935982677   0.0328312187  -1.5397246183
C    0.2142668205  -3.3902795708  -0.1101105538
C    3.5928995567   0.6905639916  -0.5454404504
C    2.0376108147  -3.4699479654   0.8555009028
H   -1.0167385334   1.8275564905   0.5107735239
H   -2.1192712703   0.6630328789   1.2307491478
H   -1.9913442306   1.6340768450  -1.6464075918
H   -1.7109450885  -1.8015722803   1.0645283601
H   -0.5254996930  -1.0153288815   2.0855837931
H   -3.0671698415  -1.1116105149  -0.8294178723
H   -2.6299043286  -0.5707357307  -2.4623889991
H    1.0234008704  -0.7649796242  -2.1296711427
H    3.5166073150   1.5717106490   1.4119483327
H    3.3779968178  -0.2611889278  -2.4601120872
H   -0.6398654436  -3.5578026972  -0.7453538251
H    3.0343053119  -3.7730496125   1.1353256771
*