! 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   0.7692864551  -1.3629143108   2.5341137897
Cl   4.2935406953  -1.6699773293  -1.4502275331
O   -1.9930338238   0.3329058004  -0.6102556606
O   -1.8391473340  -1.0270250838   1.1768398148
N   -0.3851458377   2.3180678707   0.7287006992
N    0.9247402644   2.4970088399   0.9138714961
N    0.1339767061   3.9778944973  -0.5666800552
C   -1.1878023395   0.0006213990   0.4790024418
C   -2.8910699642  -0.7456055177  -0.8572243583
C   -3.0766564453  -1.3047900369   0.5422351043
C   -1.0911130094   1.2437405194   1.3773175859
C    0.1895157069  -0.4645150505   0.0159536681
C   -4.1508295727  -0.2290694446  -1.5165242812
C   -5.1577378883  -1.3453254060  -1.7550342589
C    1.1186067328  -1.0638203065   0.8639818645
C    0.5828226182  -0.2410205157  -1.2991063713
C    2.3775436916  -1.4406863130   0.4230329986
C    1.8340562898  -0.6052279055  -1.7676694589
C   -0.8428997023   3.2040316979  -0.1601836593
C    2.7234382766  -1.2058918809  -0.8960456286
C    1.1911805298   3.5022444791   0.1214180851
H   -2.4099954192  -1.4912674055  -1.5049304855
H   -3.9021515693  -0.8103688759   1.0687776727
H   -3.2493785781  -2.3809273165   0.5586961439
H   -0.5716229002   1.0158515352   2.3045564654
H   -2.0978956890   1.5779140884   1.6304746001
H   -3.8911665128   0.2402697652  -2.4682698485
H   -4.5942428467   0.5478775448  -0.8874298811
H   -5.5181419359  -1.7781419134  -0.8199238023
H   -6.0287585574  -0.9703539720  -2.2923448376
H   -4.7293779915  -2.1534370611  -2.3508808186
H   -0.1018481345   0.2344739129  -1.9868828071
H    3.0765798459  -1.9071713556   1.1032423746
H    2.1036972275  -0.4177608972  -2.7976720451
H   -1.8751195212   3.2509508526  -0.4685956229
H    2.1856090028   3.9127830920   0.0382899192
*