! 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   0.4459981187  -1.2799753926   2.3001801560
Cl   1.5271931755  -5.3371713868  -0.9811383978
O   -0.7562253221   0.7559009573   0.5637707126
O    0.0537010209   1.1330391850  -1.4973395508
N    1.3720844068   2.6567363188   0.4779832251
N    0.8956528831   3.1296613788   1.6318279475
N    1.0904783324   4.7792966304   0.1291410619
C    0.3510172563   0.5494801388  -0.2617263320
C   -1.7306480769   1.5372665421  -0.1196608814
C   -1.3493547656   1.3133788905  -1.5718056325
C   -3.1272434861   1.0867200509   0.2511985813
C    1.6057014806   1.2522768089   0.2771228072
C    0.6271947622  -0.9440070119  -0.4086493930
C   -4.1940572114   1.9516312177  -0.4120861898
C    0.6851476318  -1.8210776966   0.6735868261
C    0.8775703104  -1.4732155581  -1.6707642921
C   -5.6050834633   1.5350539059  -0.0288597025
C    0.9578222672  -3.1707348530   0.5065011848
C    1.1534024183  -2.8159566271  -1.8663704336
C    1.4754539235   3.6490429564  -0.4112258767
C    1.1865673524  -3.6567082954  -0.7686629606
C    0.7446219578   4.4039021061   1.3776275076
H   -1.6066623197   2.5953969715   0.1488873694
H   -1.8426378848   0.4251962867  -1.9878067640
H   -1.5541319485   2.1648743837  -2.2193145065
H   -3.2430701059   1.1387546100   1.3375572962
H   -3.2597293825   0.0378394856  -0.0334318569
H    2.4219516163   1.1278113817  -0.4354203897
H    1.9241407795   0.8205565323   1.2236786464
H   -4.0914312592   1.9063478015  -1.5008564386
H   -4.0353262289   2.9981495450  -0.1352607668
H    0.8581661594  -0.8230421383  -2.5338873461
H   -5.8172860323   0.5110081683  -0.3416603953
H   -5.7569511285   1.5880886847   1.0509145149
H   -6.3486459040   2.1815795250  -0.4968714552
H    0.9916341917  -3.8296148126   1.3629995790
H    1.3395101896  -3.1926146751  -2.8623358004
H    1.8414347815   3.5039757469  -1.4153960475
H    0.3778497767   5.0926754353   2.1230608515
*