! 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 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   0.1259387204   0.8345537933   2.9549264683
Cl   4.4899021553   0.6933431463  -0.1260147727
N   -1.4162360231  -1.8398699911  -0.3120561796
N   -2.0043254694  -2.0420427553  -1.4948928449
N   -0.0614421381  -3.1606328156  -1.3866761813
C   -1.5278672386   0.5581080921   0.3572852576
C   -2.2619215748   1.1613643272  -0.8437403770
C   -1.9266992107  -0.8980395143   0.6569675586
C   -0.0251872383   0.6447870047   0.2446998510
C   -3.7496576636   1.3763981869  -0.5937886414
C    0.8050771433   0.7416913334   1.3606437133
C    0.6084244974   0.5521503805  -0.9933536331
C   -4.4428275372   2.0108251714  -1.7896930939
C    2.1882514009   0.7619489657   1.2644972848
C    1.9862194610   0.5637524273  -1.1268535042
C   -0.2587673375  -2.4996589731  -0.2718000096
C    2.7663683337   0.6716005429   0.0109182166
C   -1.1582439904  -2.8389513360  -2.0957654484
H   -1.8427445639   1.1240792315   1.2383513412
H   -1.8038686081   2.1273223008  -1.0751015058
H   -2.1357730805   0.5410625638  -1.7337970880
H   -3.0087087140  -1.0046558946   0.7031059723
H   -1.5402937846  -1.1980226111   1.6303175194
H   -4.2397553920   0.4276104502  -0.3607729026
H   -3.8806722544   2.0122426932   0.2866249474
H    0.0125336119   0.4650622715  -1.8919519569
H   -4.3691844397   1.3745466753  -2.6735033148
H   -3.9989594315   2.9758609801  -2.0411395701
H   -5.5023672534   2.1773995913  -1.5926634002
H    2.7990583453   0.8460250260   2.1522964255
H    2.4377306605   0.4887287662  -2.1060279159
H    0.3940637428  -2.4878719693   0.5870109892
H   -1.3464459881  -3.2110192144  -3.0906705935
*