! 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  -0.3780472219  -0.2130098854  -1.9905101801
Cl  -4.5397510393  -1.9385014265   0.8841313287
O    3.3059480658  -0.9286602393  -0.2816285167
N    2.0051282668  -1.3146813370  -0.2338768393
N    2.3657533322   3.4199812055  -0.9526776641
C    1.7717223273   0.5397788334   1.3947022333
C    1.3010878061  -0.6289259211   0.5693776511
C   -0.1412896167  -0.9622887830   0.6129922133
C    1.5287870519   1.7987076182   0.6047649415
C   -0.9817392051  -0.8172768817  -0.4892384784
C   -0.7100155361  -1.3998394245   1.8068141496
C    0.2796037637   2.4063581249   0.5681256798
C    2.5344838073   2.3573129378  -0.1780458821
C   -2.3351375346  -1.1139461966  -0.4144829033
C   -2.0541350733  -1.7100963003   1.9075316248
C   -2.8549837902  -1.5638154068   0.7863569699
C    0.0905525545   3.5132068005  -0.2423232113
C    1.1620410517   3.9781441087  -0.9877654427
C    4.0064939983  -1.6912826076  -1.2448106708
H    1.2099813181   0.5729552972   2.3299083312
H    2.8253016125   0.4433171876   1.6537476448
H   -0.0824249119  -1.5126737351   2.6817926751
H   -0.5377290625   2.0230567114   1.1672425723
H    3.5275339460   1.9199811804  -0.1707198615
H   -2.9706756052  -0.9899419242  -1.2800712184
H   -2.4642996999  -2.0588819348   2.8446804432
H   -0.8688644962   4.0091555373  -0.2977597803
H    1.0433384318   4.8397798488  -1.6352002323
H    5.0334052226  -1.3308784161  -1.2263127502
H    3.5992567434  -1.5472896517  -2.2482275487
H    4.0002009507  -2.7569536125  -1.0048484734
*