! 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   0.7272052644  -3.2891259028   0.3733668213
Cl   0.7283460728   1.4746117193   2.4637270577
Cl   3.7499828659   2.4158688481  -1.8157604988
O   -1.6440573991  -1.1390797993  -0.4226126194
N   -2.5406254962   1.5473041447  -0.1195141245
N   -3.5543125525   1.2153141578  -0.9227223656
N   -2.5493329592   3.0814430761  -1.6611399981
C   -1.0816843007  -0.3261861011   0.5900192289
C   -0.7939109610  -1.2834146468   1.7759378546
C   -0.9617782940  -2.6650531375   1.1747333730
C   -2.1420531744   0.7164530037   0.9895176014
C   -1.9936884254  -2.3996954832   0.1081390472
C    0.1610416366   0.3493378641   0.0249177890
C    1.0029583542   1.1717763389   0.7742241780
C    0.4803670027   0.2004790697  -1.3230650665
C    2.1067188591   1.8068176262   0.2239763099
C    1.5715195043   0.8235661375  -1.9024031331
C   -1.9506139020   2.6525537808  -0.5775486262
C    2.3806497772   1.6257121673  -1.1186455672
C   -3.5204148573   2.1633744206  -1.8213802332
H   -1.5537972951  -1.1600803194   2.5531809708
H    0.1696543961  -1.1321969212   2.2523960638
H   -1.2654168061  -3.4200587173   1.8966354107
H   -1.7911641308   1.3589972080   1.7936580727
H   -3.0317628525   0.2061911607   1.3571364654
H   -2.0297867468  -3.1281744508  -0.7001956529
H   -2.9832199945  -2.3759869780   0.5844166805
H   -0.1372557420  -0.4271888710  -1.9465143026
H    2.7380864065   2.4322745250   0.8392246392
H    1.7806855925   0.6802736483  -2.9530604103
H   -1.1130850974   3.1220999629  -0.0861163697
H   -4.2339181793   2.1977472626  -2.6293212175
*