! 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   0.7259806181  -1.3734985684   2.5267680672
Cl   4.3054341909  -1.5257453751  -1.4167334330
O   -2.0740262923   0.1629384412  -0.6564049571
O   -1.8866086580  -1.0634381753   1.1969616757
N   -0.4416834085   2.2531197810   0.6889845309
N   -0.9138483435   2.9752616230  -0.3284506162
N    1.2115981594   3.5299384393   0.1056116528
C   -1.2612092312  -0.0631808670   0.4453308417
C   -2.6820574170  -1.0766721032  -0.9979354097
C   -2.7821157984  -1.7773287617   0.3584508618
C   -1.2172945297   1.2097140609   1.3020709821
C    0.1441143932  -0.4781720789   0.0052338097
C   -3.9952967023  -0.8297839212  -1.7164528062
C   -4.9441431734   0.1250167834  -1.0074016417
C    1.0799433862  -1.0575224979   0.8599743999
C    0.5547947255  -0.2091421755  -1.2974866186
C    2.3583060847  -1.3845976868   0.4320837800
C    1.8235009353  -0.5243457906  -1.7516575260
C    0.8292329717   2.5877988917   0.9305887225
C    2.7158186479  -1.1181005832  -0.8775531170
C    0.1087431351   3.7276045042  -0.6431993681
H   -2.0176198433  -1.6476427816  -1.6588635129
H   -3.7854533244  -1.7305941075   0.7901631154
H   -2.4892982882  -2.8272878346   0.2906947371
H   -0.7761314503   0.9871805394   2.2713491259
H   -2.2323520564   1.5674949147   1.4696419257
H   -4.4738406321  -1.8021610782  -1.8613868968
H   -3.7781316240  -0.4521245167  -2.7185083386
H   -4.5143372627   1.1212231046  -0.9077772110
H   -5.8698872861   0.2238255316  -1.5747624174
H   -5.2167524212  -0.2203794917  -0.0088929409
H   -0.1339562780   0.2642513892  -1.9831460462
H    3.0629239847  -1.8372123492   1.1159339726
H    2.1058018938  -0.3043934474  -2.7718088943
H    1.4191328066   2.1349207651   1.7124176497
H    0.0565252318   4.4536072394  -1.4396769007
*