! 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   4.5748931738   4.7093051320   0.9905112141
O   -1.5453254573  -1.5890539852   1.5648719013
N   -1.5220487938  -3.3975257488  -0.6814049852
N   -2.3028100370  -3.6281633292  -1.7390231910
N   -2.4954348196  -5.2924441997  -0.2564105205
C   -1.2872120007  -1.0846065786   0.2649630130
C   -2.5579473530  -0.3796595189  -0.3044847052
C   -0.2526578547   0.0699342232   0.4818505603
C   -2.5227036938   0.9536359881   0.4547933948
C   -1.0625497428   1.3787926019   0.4170656347
C   -0.6872501241  -2.2185746158  -0.5807529089
C    0.9694805863   0.1002882934  -0.4470770342
C   -3.8789195176  -1.1045093118  -0.0525333608
C   -2.4273789122  -0.1286186210  -1.8092391930
C    1.8860925199   1.2433798658  -0.1061771200
C   -1.6456772737  -4.3989817854   0.1936387008
C    2.0098961856   2.3463655701  -0.9445553799
C    2.6210390782   1.2347480094   1.0781019709
C    2.8337880802   3.4153343412  -0.6190733184
C    3.4481504955   2.2915932613   1.4224574262
C   -2.8678217293  -4.7714637243  -1.4404161655
C    3.5454184055   3.3791625046   0.5674139795
H    0.1286578468  -0.0710115684   1.4966619656
H   -2.8513524499   0.8033312111   1.4868114240
H   -3.1939607528   1.6932393134   0.0127115357
H   -0.8526505904   1.9124962181  -0.5137464252
H   -0.8005225396   2.0621159997   1.2251501325
H    0.2493161360  -2.5376445243  -0.1222369619
H   -0.4582642916  -1.9018234885  -1.5955045953
H    0.6591100494   0.1915686073  -1.4907660828
H    1.5329310282  -0.8322676608  -0.3674279412
H   -4.0969081348  -1.2435793990   1.0087297278
H   -4.7007792510  -0.5025893492  -0.4462215795
H   -3.9386049437  -2.0730086778  -0.5486154739
H   -1.4851136575   0.3415489586  -2.0950676038
H   -2.5189988345  -1.0520662060  -2.3822138601
H   -3.2254461473   0.5377935866  -2.1430596929
H   -2.3600683257  -2.1022938124   1.5606917801
H   -1.0930405033  -4.4454825323   1.1190723743
H    1.4579994858   2.3792077094  -1.8761722395
H    2.5550586477   0.3870875706   1.7502457436
H    2.9164422386   4.2615374435  -1.2879159648
H    4.0101933360   2.2642544117   2.3464088844
H   -3.5700639028  -5.2491092879  -2.1060631468
*