! 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  -0.0466857339  -0.7865689692  -2.4938632172
Cl   4.5476698248  -1.7238919576   0.0361232466
O   -2.1151962788  -0.7513410900  -0.3801201842
O   -1.5942501296   0.1194001978   1.6278259025
N   -0.3204943267   2.3795025591   0.2203797583
N    0.8380019247   2.5893116759  -0.4092544787
N    0.8249043798   3.6317230575   1.5712182003
C   -1.2082918394   0.0823755955   0.2840558645
C   -3.1349342039  -1.1746683718   0.5251025779
C   -2.9724420649  -0.1970220481   1.6757713956
C   -1.3165216775   1.4957626295  -0.3257515481
C    0.2182647469  -0.4355447691   0.2050422417
C   -4.4930191497  -1.1352950953  -0.1413221953
C   -4.6159876930  -2.0724405998  -1.3324353074
C    0.8176986941  -0.8116831736  -0.9949851706
C    1.0077886110  -0.4714602868   1.3505043693
C    2.1428169279  -1.2153430860  -1.0550038155
C    2.3349527436  -0.8634788318   1.3178837899
C   -0.3113874505   2.9997483593   1.4039959788
C    2.8921136833  -1.2338375946   0.1077161522
C    1.4909525545   3.3455971057   0.4343482426
H   -2.9145233230  -2.1966229563   0.8592484008
H   -3.5933597759   0.6972917724   1.5374991877
H   -3.2013192030  -0.6272452874   2.6497082564
H   -2.3082576216   1.9047781714  -0.1262315765
H   -1.1853152889   1.4696705512  -1.4047510273
H   -4.7177060907  -0.1084551768  -0.4449072973
H   -5.2358684264  -1.4039864470   0.6154257599
H   -4.4277379189  -3.1093083243  -1.0472113365
H   -5.6197706917  -2.0273073212  -1.7563721854
H   -3.9135827773  -1.8121120890  -2.1248902902
H    0.5862431911  -0.1822285000   2.3019830984
H    2.5820854029  -1.5044715550  -1.9996181272
H    2.9199847963  -0.8746854746   2.2269557866
H   -1.1409232403   2.9740061439   2.0927585700
H    2.4833374152   3.7114884883   0.2205570444
*