! 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  -0.0986652638  -1.4603270426   2.2538590172
Cl   4.3303672912  -0.5625685620  -0.5716367857
O   -2.2342992343  -0.2823565420  -1.5430038877
O   -2.2461448436  -1.6851713770   0.1729547072
N   -1.4416043356   1.8256014489   0.6010314087
N   -1.3774972356   2.5691231126  -0.5038269245
N    0.0164916897   3.3633431318   1.0587514263
C   -1.7123448728  -0.4726262507  -0.2619822054
C   -2.2376285699   0.6305635843   0.6664368868
C   -0.1828655402  -0.5112507360  -0.3094180498
C   -2.3658038700  -1.5645725904  -2.1439729275
C   -2.2780141463  -2.5365872332  -0.9600441239
C    0.6035745880  -0.9453449822   0.7556147496
C    0.4823701075  -0.0686228518  -1.4488297050
C    1.9882490751  -0.9636945057   0.6867372394
C    1.8629322517  -0.0819154648  -1.5500438126
C   -0.6003620475   2.3043774962   1.5210468669
C    2.6055026152  -0.5360808323  -0.4755223608
C   -0.4938316194   3.4792184416  -0.1827934616
H   -2.2238956621   0.2838255805   1.6972108120
H   -3.2709525136   0.8601469216   0.4066747206
H   -1.5742032876  -1.7444057897  -2.8760569425
H   -3.3256999105  -1.6040782675  -2.6592905063
H   -3.1446652642  -3.1913889262  -0.8759376577
H   -1.3788164805  -3.1571310386  -1.0116134619
H   -0.0890289724   0.3028427573  -2.2872270622
H    2.5726757065  -1.3047484171   1.5299893834
H    2.3442198918   0.2627846203  -2.4546867270
H   -0.4817129678   1.8602233259   2.4972164501
H   -0.2070598767   4.2605275967  -0.8692757740
*