! 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   0.6506033955  -1.3814242131   2.4460329295
Cl   4.2927123814  -1.6215702676  -1.4329684165
O   -2.0048270006   0.3704703977  -0.7571010640
O   -1.9327567394  -0.9400499098   1.0486277813
N   -0.3193577747   2.3127527809   0.7262163630
N   -0.7387989800   3.0861011019  -0.2766891691
N    1.3893420667   3.5566551407   0.2379687656
C   -1.2358790662   0.0527910973   0.3663167040
C   -2.9790590715  -0.6509297896  -0.9794452404
C   -2.5909778007  -1.7043759209   0.0545042366
C   -1.1460184109   1.2788817551   1.2873359327
C    0.1547063345  -0.4140297171  -0.0684457389
C   -4.3760411471  -0.0783456381  -0.7988237640
C   -5.4632222014  -1.0518209738  -1.2265815365
C    1.0508042405  -1.0448435540   0.7936017427
C    0.5942396676  -0.1583952369  -1.3639069076
C    2.3206219454  -1.4225907138   0.3831112400
C    1.8570765211  -0.5208041635  -1.8000139058
C    0.9532837387   2.5991330371   1.0175429553
C    2.7113843598  -1.1558095808  -0.9170237319
C    0.3151632599   3.8167002301  -0.5338939793
H   -2.8623514478  -1.0340533327  -1.9980414343
H   -3.4402678647  -2.2098876405   0.5132839625
H   -1.9247943581  -2.4647868956  -0.3676734240
H   -0.7221479400   0.9971140737   2.2495264624
H   -2.1463224930   1.6728801227   1.4656572657
H   -4.4561160674   0.8362710863  -1.3916183221
H   -4.5197900694   0.2106323908   0.2469321009
H   -5.3678369440  -1.3199571097  -2.2805058747
H   -5.4420396605  -1.9774289687  -0.6482812842
H   -6.4510035752  -0.6117138911  -1.0894202226
H   -0.0672309748   0.3413371334  -2.0567881750
H    2.9926217581  -1.9150463481   1.0722981058
H    2.1645009735  -0.3074107772  -2.8142579235
H    1.5059068021   2.1001788057   1.7987651634
H    0.3098286264   4.5702630594  -1.3062356628
*