! 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   0.5442938878  -1.0791590342   2.5459262528
Cl   4.3760978959  -1.5318299455  -1.1305662907
O   -2.0628329092   0.0773771414  -0.9512691571
O   -1.9914424363  -1.0494977663   0.9614993314
N   -0.4592443698   2.2200479223   0.5851220588
N   -0.5573007431   2.7990918416  -0.6120183820
N    1.3221177963   3.4452550238   0.4205463463
C   -1.3351107646  -0.0614954417   0.2310503959
C   -2.7167195967  -1.1600227505  -1.2418323130
C   -2.4365505364  -1.9992564306   0.0115978631
C   -1.4135845611   1.2438196888   1.0353119100
C    0.1122598895  -0.4517629078  -0.0819843222
C   -4.1850532197  -0.9117434509  -1.5397976080
C   -4.9685439488  -0.2498480195  -0.4173102037
C    1.0040332496  -0.9168460919   0.8824797378
C    0.5983669140  -0.3103553048  -1.3781642909
C    2.3130370786  -1.2525272319   0.5714861737
C    1.8995555675  -0.6379530540  -1.7190051975
C    0.6686750034   2.6068248316   1.1863656162
C    2.7471578588  -1.1129887864  -0.7349507266
C    0.5295749482   3.5258727072  -0.6660473466
H   -2.2500288218  -1.6213409091  -2.1181618717
H   -3.3180382794  -2.5032249570   0.4080932755
H   -1.6686986847  -2.7569110206  -0.1768804042
H   -1.2131087886   1.0463090050   2.0861234141
H   -2.4203665428   1.6551851613   0.9608648116
H   -4.6311558010  -1.8787025561  -1.7891315440
H   -4.2597620890  -0.3065789541  -2.4474542592
H   -4.5808850550   0.7413485160  -0.1809376006
H   -6.0118925800  -0.1257160873  -0.7094313690
H   -4.9640614231  -0.8392743110   0.5011430012
H   -0.0544491905   0.0695803999  -2.1507450292
H    2.9813405227  -1.6144076091   1.3405388822
H    2.2398086411  -0.5195905053  -2.7383081456
H    0.9602797520   2.2626535297   2.1668101865
H    0.7597726838   4.1420839930  -1.5213592769
*