! 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   0.2446722706   0.6246965905  -2.9257004990
Cl   3.9172475489  -1.9925508106  -0.0481511036
O   -1.4939025397   1.7997295500   0.9235469607
N   -2.5348613857  -0.8955662283   0.4701082876
N   -2.9083489882  -1.9030969484   2.3938061047
C   -1.2567322157   1.1013474433  -0.2700558346
C   -2.4365487658   0.1575868989  -0.5114057675
C    0.0504808152   0.3423456130  -0.2308417395
C    0.7906608676   0.0686357800  -1.3746044233
C    0.5379521530  -0.1538505813   0.9747751639
C   -2.0372648807  -2.1635175068   0.3483865584
C   -3.0405409417  -0.7910644082   1.7198701464
C   -0.9930008705   3.1274946183   0.9315415943
C    1.9803034834  -0.6429667899  -1.3372262239
C    1.7167816315  -0.8743089614   1.0472199379
C    2.4326574581  -1.1076884432  -0.1153108352
C   -2.2814281294  -2.7701668767   1.5446308426
C    0.5008401987   3.2063630241   0.9306641277
C    1.2037007538   3.7737460419  -0.0405332968
H   -1.2509549207   1.7979504124  -1.1180503140
H   -3.3608999935   0.7361273244  -0.5137566047
H   -2.3427615547  -0.2981673248  -1.4966120072
H   -0.0090582320   0.0342991582   1.8886615176
H   -1.5713981259  -2.5144804779  -0.5574646367
H   -3.5028868533   0.1156765888   2.0776260233
H   -1.3982760556   3.6905652038   0.0810717031
H   -1.3914505773   3.5819333417   1.8416406348
H    2.5402564878  -0.8260789137  -2.2437174135
H    2.0698858778  -1.2445532042   1.9996827588
H   -2.0420289196  -3.7818183391   1.8341485437
H    1.0127379094   2.7779319992   1.7872232074
H    2.2839473714   3.8344285533   0.0026287111
H    0.7282868738   4.2073626539  -0.9132404788
*