! 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   1.4430636060  -2.2891078059   1.9873394937
Cl   5.5568433962   0.4499014764  -0.0602207660
O   -1.8252869216   1.7441230922   1.3677609448
N   -2.6039023957  -0.7569884254  -0.0527574736
N   -3.5410164931  -0.4294242445   0.8471420570
N   -4.2951196886  -2.0371160314  -0.5077221135
C   -2.0163826546   2.1735022422  -1.0560377712
C   -1.3360739790   1.3802071229   0.0965454219
C   -1.6702007181   3.6509350775  -0.8461449909
C   -3.5412013137   2.0414421629  -1.0939504846
C   -1.4548911123   1.7304996297  -2.4061912277
C   -1.3316255270  -0.1279433410  -0.0443575080
C   -0.2691400748  -0.9364987494  -0.0662596138
C    1.1470271954  -0.5542832983  -0.0720876555
C   -3.0727473412  -1.7199317690  -0.8567920696
C    2.0336282677  -1.1494151595   0.8294135501
C    1.6873530685   0.3523589126  -0.9813683861
C   -4.5338917173  -1.2230166847   0.5383021994
C    3.3847891678  -0.8501116014   0.8455108987
C    3.0329514866   0.6771549712  -0.9858529651
C    3.8716907523   0.0703579282  -0.0674405849
H   -0.2857569823   1.6837441563   0.0936625622
H   -2.0684212848   4.2554117764  -1.6637894144
H   -2.0864908420   4.0420931213   0.0822219908
H   -0.5895143400   3.8106705569  -0.8204831466
H   -3.9421039912   2.7613576290  -1.8107064353
H   -4.0100625563   2.2624048823  -0.1348102566
H   -3.8813303588   1.0603746620  -1.4251994686
H   -0.3898135455   1.9501289994  -2.4997805378
H   -1.9557490533   2.2678727571  -3.2140620189
H   -1.5973962156   0.6646557218  -2.5959088804
H   -0.4567797667  -2.0049555753  -0.0341801271
H   -2.6754418639   1.3027918497   1.5096354286
H   -2.4993998375  -2.1347959244  -1.6708470932
H    1.0484991462   0.7965989992  -1.7298395816
H   -5.4631009427  -1.2101185454   1.0857920294
H    4.0420410029  -1.3231981109   1.5611453664
H    3.4166950717   1.3824040057  -1.7092859375
*