! 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   1.5470274427   2.0448312858   1.5156767478
Cl   5.6194729156  -0.8479802017  -0.3307682027
O   -1.0169505511  -0.9510604755  -0.6859192276
O   -0.8446300154   0.3530082545   1.1108378572
N   -2.0673646895   1.5768489610  -1.2214923902
N   -2.8035212459   2.2374213105  -0.3261725310
N   -4.0946823756   1.4597936126  -1.9826510716
C   -0.3447300925   0.1609644508  -0.1696145843
C   -1.6527943759  -1.6723384497   0.3754560761
C   -1.1348995186  -0.9369332535   1.6121188620
C   -3.1636776450  -1.6373921367   0.1913574456
C   -0.6554051113   1.3741416778  -1.0534068675
C    1.1660930559  -0.0846339184  -0.1651228304
C   -3.9060195177  -2.7649652345   0.9042801176
C    2.0668730750   0.7079859562   0.5451717893
C    1.6970828172  -1.1148604332  -0.9358849385
C   -3.7497828770  -2.8067419873   2.4179599891
C    3.4342879470   0.4777453979   0.5028370405
C    3.0570563555  -1.3654898869  -0.9988312134
C   -2.8500715635   1.1123643282  -2.1988629264
C    3.9169155406  -0.5618800882  -0.2718016132
C   -4.0098958220   2.1434590856  -0.8235976142
H   -1.2944196280  -2.7065774444   0.3508230948
H   -1.8677286321  -0.8333393908   2.4099636755
H   -0.2398205277  -1.4170859222   2.0250140945
H   -3.3774350832  -1.7171985990  -0.8773150191
H   -3.5513644920  -0.6651229087   0.5144440996
H   -0.2141931833   1.2174152832  -2.0371172984
H   -0.2171178372   2.2797108553  -0.6386704132
H   -3.5868588212  -3.7233024352   0.4832735465
H   -4.9673632584  -2.6713946352   0.6617018537
H    1.0307008444  -1.7446275229  -1.5079887603
H   -4.3862130017  -3.5820302485   2.8472872064
H   -2.7270598248  -3.0328631514   2.7260131254
H   -4.0371215624  -1.8600622175   2.8802145670
H    4.1097335665   1.1061864419   1.0665725648
H    3.4333513494  -2.1752393486  -1.6083328683
H   -2.4719739974   0.5470321594  -3.0360347753
H   -4.8627633092   2.5910140022  -0.3370831772
*