! 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   1.3305011515  -1.7493040494   2.3437464274
Cl   5.5190687254   0.4288190671  -0.1909331655
O   -1.7615805999   1.6610217347   1.2996271225
N   -2.6086158803  -0.8448859267  -0.0560169417
N   -3.5469388682  -0.4440014041   0.8121530890
N   -4.3203411151  -2.1215798251  -0.4425041424
C   -1.8976956846   2.0675198108  -1.1309183953
C   -1.2720408570   1.2608927418   0.0399994421
C   -1.5687139762   3.5437150102  -0.8840176179
C   -3.4167979706   1.9297651821  -1.2517725004
C   -1.2534029623   1.6427010678  -2.4490967580
C   -1.3221781867  -0.2495910772  -0.0736218056
C   -0.2753183159  -1.0746205695  -0.0863277591
C    1.1400810697  -0.6749442719  -0.1267032375
C   -3.0900035707  -1.8504245522  -0.7997211670
C    1.9806130640  -0.9639903751   0.9482875516
C    1.7098660475  -0.0547067593  -1.2347640924
C   -4.5531043551  -1.2360014481   0.5453897743
C    3.3241599012  -0.6308784828   0.9439683567
C    3.0499404643   0.2933531109  -1.2683632555
C    3.8446222672   0.0030087171  -0.1725580524
H   -0.2089874492   1.5197739224   0.0440601508
H   -1.9029734527   4.1536204843  -1.7253779469
H   -2.0556921463   3.9277601108   0.0124740446
H   -0.4935234719   3.7042577112  -0.7734617185
H   -3.7820037304   2.6381395574  -1.9983580869
H   -3.9355219386   2.1603154558  -0.3206470051
H   -3.7342589418   0.9419116203  -1.5862689303
H   -1.4124666037   0.5860013141  -2.6751288038
H   -0.1784862233   1.8310856230  -2.4503372366
H   -1.6758303297   2.2141561931  -3.2775202454
H   -0.4598729042  -2.1429498073  -0.0228028579
H   -2.6317569755   1.2581722761   1.4355072831
H   -2.5221534954  -2.3265994318  -1.5832240633
H    1.0958196836   0.1442512130  -2.1013345643
H   -5.4855310030  -1.1726006815   1.0834863501
H    3.9496899977  -0.8586930898   1.7957819055
H    3.4631370302   0.7775438451  -2.1421597617
*