! 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  -1.2603652291   2.7616559184   0.5333130293
Cl  -5.3917455717  -0.6219280191   0.1098393588
O    3.4799631174  -0.6063230933  -1.6423990037
N    1.2860762249  -1.2786077719   0.0170551834
N    0.6228416169  -1.3527388109   1.1802911395
N    1.3550615256  -3.3775140968   0.5675415669
C    3.6042446134   0.9760111716   0.2526716548
C    2.8171791610   0.4418132897  -0.9754736727
C    2.8263416709   2.1332009404   0.8773426542
C    4.9507686744   1.5097362260  -0.2506893499
C    3.8671646861  -0.0942252377   1.3114783353
C    1.4235103875  -0.0420169107  -0.6641551627
C    0.3503725714   0.6950716707  -0.9418700366
C   -1.0484839506   0.3484598621  -0.6659836179
C    1.7153712093  -2.5010304645  -0.3355677950
C   -1.8917517348   1.2471871057  -0.0157428866
C   -1.6012743598  -0.8629169791  -1.0777761602
C    0.6954872111  -2.6234634549   1.4723167925
C   -3.2250591144   0.9650844588   0.2316037657
C   -2.9289749276  -1.1744694095  -0.8456278441
C   -3.7298676142  -0.2534702388  -0.1890063883
H    2.6888851770   1.3005560433  -1.6498952405
H    3.4017461859   2.5758888760   1.6928723713
H    2.6238202699   2.9271039733   0.1539877613
H    1.8697173011   1.8114512705   1.2914357295
H    5.4789562756   2.0192743930   0.5574443741
H    4.8285100326   2.2293679958  -1.0644202197
H    5.6185993499   0.7169439466  -0.5975996637
H    2.9604378293  -0.3977433857   1.8349660477
H    4.5491684976   0.2986546066   2.0694478783
H    4.3351228549  -0.9860041072   0.8910571296
H    0.5302173189   1.6613278627  -1.3995874386
H    4.3540197163  -0.3040413289  -1.9109062468
H    2.2583461777  -2.7005068842  -1.2439517845
H   -0.9858060812  -1.5759341843  -1.6101717288
H    0.2592184725  -3.0247620799   2.3742645629
H   -3.8526867203   1.6802965130   0.7450413045
H   -3.3310033248  -2.1207814382  -1.1803309867
*