! 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   2.1022313860  -0.5368110852  -2.1094408865
Cl   1.0899423569  -5.4369837251  -0.2853350794
O   -0.8910559137   0.7627823107   1.0066107143
O   -0.0819207206   1.1392475588  -1.0514930844
N    1.2553558345   2.6021626524   0.9472656534
N    0.7535933001   3.1132593242   2.0742218123
N    1.0359108889   4.7218733497   0.5423232586
C    0.2047021002   0.5292569220   0.1695483444
C   -1.9037831873   1.4744243090   0.2982328041
C   -1.4885469494   1.2581055540  -1.1467316215
C   -3.2773456805   0.9507649321   0.6579825656
C    1.4506489017   1.1873731395   0.7789986173
C    0.4303690411  -0.9733905960   0.0178036655
C   -4.3860804363   1.7364269010  -0.0343745920
C    1.2592748053  -1.5223265087  -0.9601540849
C   -0.1763898774  -1.8579200276   0.9048014589
C   -5.7722058280   1.2674202916   0.3784051076
C    1.4639960400  -2.8904354962  -1.0625008085
C    0.0134645023  -3.2271462161   0.8281646189
C    1.4105251065   3.5707657308   0.0403575327
C    0.8345471661  -3.7326782896  -0.1635044259
C    0.6433913600   4.3844924391   1.7875154353
H   -1.8384896584   2.5389941846   0.5584680059
H   -1.9371775725   0.3480398193  -1.5663108761
H   -1.7207588504   2.0963519888  -1.8019616284
H   -3.4110636523   1.0159799579   1.7417020567
H   -3.3458885069  -0.1092483775   0.3919094100
H    2.3245304615   1.0248670020   0.1502916372
H    1.6603675512   0.7498721252   1.7536168501
H   -4.2855796029   1.6495049655  -1.1206766370
H   -4.2773808408   2.8002041665   0.1972890521
H   -0.8191696063  -1.4737105021   1.6834833966
H   -6.5513229641   1.8436242051  -0.1221663690
H   -5.9288803574   0.2166839041   0.1274537776
H   -5.9238269562   1.3753593088   1.4540872365
H    2.1083823326  -3.2882331796  -1.8340925757
H   -0.4759341514  -3.8830278822   1.5345178617
H    1.8030159434   3.3943216118  -0.9486053001
H    0.2701207104   5.0986961714   2.5052141851
*