! 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   0.1413355660  -0.1806247589  -2.1980977864
Cl   5.1966446290   0.4226035030  -0.6818591131
O   -1.3965180642  -0.8861266145   0.1199002470
O   -0.6604704283  -0.6468483695   2.2163132682
N   -1.3014628419   2.0253485580  -0.1697771700
N   -0.3034251324   2.8112307413  -0.5787309509
N   -1.9492649108   2.7789557258  -2.0970769375
C   -0.6117803758  -0.0782778929   0.9425210183
C   -1.7000191230  -2.1112207877   0.7892161864
C   -0.7976235769  -2.0432697414   2.0154668661
C   -3.1838384021  -2.1820979258   1.1106754385
C   -1.2419669210   1.3123242519   1.0771101901
C    0.8364632408   0.0076643018   0.4533549946
C   -3.6125482186  -3.5503441860   1.6273648618
C    1.2461201535  -0.0230549848  -0.8778652671
C    1.8275487989   0.1946568023   1.4151834100
C   -5.0903663525  -3.5977279917   1.9823299536
C    2.5848964510   0.0953733781  -1.2301538898
C    3.1652921074   0.3258083943   1.0922105690
C   -2.2711884106   2.0082223630  -1.0876414138
C    3.5330743849   0.2679563311  -0.2405009427
C   -0.7364847477   3.2423846579  -1.7350835975
H   -1.4190278885  -2.9412947370   0.1341457141
H   -1.2324851302  -2.4795742523   2.9140285922
H    0.1743892474  -2.5156732430   1.8358948408
H   -3.7499059979  -1.9467959011   0.2039365428
H   -3.4369359974  -1.4107493415   1.8471410952
H   -0.6766590740   1.9147664024   1.7864961895
H   -2.2562987454   1.2014779296   1.4612891257
H   -3.0257376435  -3.8233359235   2.5101385393
H   -3.3917953493  -4.3102915260   0.8714822872
H    1.5525146370   0.2399977402   2.4599546334
H   -5.3818236141  -4.5864908343   2.3391898260
H   -5.3323867756  -2.8806454047   2.7691737420
H   -5.7171062381  -3.3623590297   1.1198555456
H    2.8765876081   0.0607008904  -2.2707591941
H    3.9009923449   0.4699542438   1.8706181083
H   -3.1793626160   1.4382467744  -0.9710753644
H   -0.1560541127   3.9203281380  -2.3410442707
*