! 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  -4.0816488790   0.0180504305  -0.1194675338
Cl   1.2644453367   0.3423055837   2.1124976756
Cl   5.2799770499   1.6639333387  -1.1072357608
O   -1.2155684814   0.5458068989  -1.7303284813
N    0.0189661178  -2.0977430436   0.4698561617
N   -0.5698360763  -2.3465254980   1.6423889320
N    1.5344746779  -3.1262796062   1.6407044020
C   -0.5585626935   0.1429348539  -0.5373737483
C   -1.3714693115   0.7990960873   0.6064387531
C   -2.6166380654   1.3395235089  -0.0740578065
C   -0.6542783097  -1.3978364147  -0.5916022054
C   -2.0937255460   1.6186568182  -1.4606487228
C    0.9078552365   0.5703341978  -0.6027109077
C    1.7759132147   0.6599272729   0.4867687532
C    1.4640949357   0.8256499727  -1.8573820120
C    3.1147997199   0.9987399633   0.3413185878
C    2.7940044121   1.1627684901  -2.0333818041
C    1.2697514121  -2.5616004374   0.4887923381
C    3.6135776846   1.2477636875  -0.9224730682
C    0.3762024244  -2.9575826438   2.3056640427
H   -0.8431409131   1.6652147237   1.0075711564
H   -1.5710419521   0.1279980111   1.4379204318
H   -3.0223038205   2.2195097488   0.4203154758
H   -0.2242033017  -1.7371702398  -1.5342235471
H   -1.6998451140  -1.6987612241  -0.5795622370
H   -2.8465360480   1.6648999974  -2.2455592990
H   -1.5624388833   2.5792708279  -1.4429541549
H    0.8403138150   0.7596774301  -2.7362251389
H    3.7547317119   1.0627771696   1.2099742803
H    3.1776110049   1.3522559691  -3.0259228609
H    1.9353911685  -2.4906135440  -0.3571960206
H    0.2198674637  -3.3085350295   3.3136318819
*