! 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   0.2800820330  -2.9128066428   0.3163210791
Cl   0.7642290104   1.8334174488   2.1743864191
Cl   5.1472475025   1.2262809988  -0.7893713137
O   -1.2546897152  -0.3921799530  -1.2686307827
N   -2.9630988228   1.5602538274  -0.3364379352
N   -3.7900888082   1.4140082725   0.7067661198
N   -4.9178413181   1.2106294555  -1.2224706211
C   -0.8106510666   0.3434498300  -0.1413815861
C   -1.1735340049  -0.5333411809   1.0808708053
C   -1.4066055130  -1.9075878052   0.4851921269
C   -1.5376636013   1.7058991967  -0.1887490013
C   -1.9618035086  -1.5522048430  -0.8715469289
C    0.6908324657   0.5853703987  -0.2712808178
C    1.4581499363   1.2340714831   0.6956485930
C    1.3631400474   0.1602289222  -1.4147593425
C    2.8228171282   1.4362460040   0.5493119109
C    2.7223588599   0.3488959493  -1.5915312876
C   -3.6491168660   1.4259996895  -1.4716444575
C    3.4452996978   0.9857746746  -0.5997438965
C   -4.9425808524   1.2097839381   0.1232664896
H   -2.1121461304  -0.1995446828   1.5278801785
H   -0.4279921233  -0.5245273799   1.8695312413
H   -2.0780189509  -2.5279542416   1.0752343266
H   -1.1762392220   2.2716075449  -1.0468146127
H   -1.3471039423   2.2999544286   0.7001096549
H   -1.8488243657  -2.3186053606  -1.6368952368
H   -3.0350293324  -1.3467976814  -0.7617379798
H    0.8147847271  -0.3466707993  -2.1934942784
H    3.3854131895   1.9372278040   1.3244061313
H    3.2043788378  -0.0040006556  -2.4924425638
H   -3.1932792918   1.5116988512  -2.4446175108
H   -5.8441530071   1.0588198390   0.6958449321
*