! 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  -0.2278704751  -4.2400532486   1.1638257561
Cl   0.7919653177   1.2416803865   2.3667966307
Cl   3.7521956001   3.1708352071  -1.6243662901
O   -1.3755854736  -0.9749364328  -0.9587493391
N   -2.3049905001   1.7007374266  -0.3074717604
N   -1.7620227563   2.9122190253  -0.1519609385
N   -2.7662033582   2.7551432786  -2.1517807243
C   -0.8939095686  -0.2623330412   0.1731888735
C   -0.5703019300  -1.3484345057   1.2350932846
C   -1.1343050123  -2.6114318566   0.6018903739
C   -2.0452248324   0.6411588508   0.6364551000
C   -0.9673391340  -2.3264944892  -0.8754418667
C    0.3099024398   0.5760160046  -0.2392199314
C    1.0996952095   1.2895394003   0.6599878932
C    0.6222487178   0.7130749795  -1.5890599281
C    2.1580825023   2.0846085427   0.2503816913
C    1.6715229392   1.5009102746  -2.0311963852
C   -2.8851648694   1.6205909891  -1.5060996311
C    2.4346988011   2.1818239347  -1.1014228152
C   -2.0676296157   3.5021783898  -1.2764812580
H   -1.0211181241  -1.1362097131   2.2026707895
H    0.5058998824  -1.4385638239   1.3791619223
H   -2.1879882585  -2.7475478051   0.8484182120
H   -1.8234439808   1.1042577659   1.5936290660
H   -2.9469642025   0.0414574442   0.7611712082
H    0.0733841377  -2.4559012745  -1.1962430099
H   -1.6107172211  -2.9250276087  -1.5188258475
H    0.0314314173   0.1929363397  -2.3282835433
H    2.7517499123   2.6207419732   0.9772262441
H    1.8811943690   1.5780767304  -3.0886825525
H   -3.3974186338   0.7394659414  -1.8556960763
H   -1.7809544889   4.5233702086  -1.4719544469
*