! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.1967864104  -2.1658968714  -2.1726415685
Cl  -4.5665729300  -2.1286617572   0.9252291572
O    3.1495486057  -0.1790503816   0.6325254674
N    1.9141495085  -0.6970049737   0.8406456009
N    0.3915689755   3.9274553671   0.1685446807
C    1.3670466992   0.5662709228  -1.2075297498
C    1.0743203787  -0.3612440994  -0.0535971927
C   -0.3080209500  -0.8339396654   0.1801002615
C    1.4956639839   1.9851354005  -0.7130484855
C   -0.9977212086  -1.6213150215  -0.7383772660
C   -0.9713877836  -0.4804545032   1.3525317870
C    2.7165131995   2.6424253554  -0.6350430678
C    0.3666684885   2.6881825531  -0.3010374961
C   -2.3041729187  -2.0268903957  -0.5236841447
C   -2.2762199061  -0.8731130813   1.5972335531
C   -2.9328506842  -1.6382242688   0.6481448940
C    2.7539495659   3.9430078107  -0.1571515118
C    1.5677912893   4.5387008681   0.2406570715
C    4.0233120451  -0.5575706682   1.6790847134
H    2.2801011428   0.2613526205  -1.7214937322
H    0.5597650404   0.5123038973  -1.9375140574
H   -0.4580665093   0.1269515818   2.0858654534
H    3.6266986273   2.1500899278  -0.9528931120
H   -0.6125408545   2.2220649119  -0.3629201096
H   -2.8161203589  -2.6411244402  -1.2511510090
H   -2.7693080533  -0.5787027839   2.5129481129
H    3.6860281534   4.4874251818  -0.0895863300
H    1.5669354752   5.5514542050   0.6281726195
H    4.9896117389  -0.1174094317   1.4402644208
H    4.1335285016  -1.6423979704   1.7436083926
H    3.6878449733  -0.1727261382   2.6448212423
*