! 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  -6.0515894368   1.4930320188  -1.9474624568
O    2.8756848555   1.6604613105  -0.2985159700
O    2.0216736286  -1.3133572675   2.4347499962
N    2.3764988032  -0.4297358885   0.3744360593
N    1.6809149198  -2.6562842295   0.6372496551
N    0.3785839881  -4.2196254929  -0.2019764510
C    2.6079201911   0.9520244145   0.8855946361
C    2.7899882987  -0.5393306735  -1.0502695618
C    3.5480704300   0.7870058269  -1.1688038186
C    1.3672440685   1.5643449230   1.5312944077
C    3.8115011316   1.0263323192   1.8222274611
C    3.7331425631  -1.6985781002  -1.3383683828
C    1.6114106104  -0.5421890967  -2.0178279551
C    0.0977304923   1.4911840458   0.6958509976
C    2.0500382234  -1.4061924951   1.2255011510
C   -1.0957815102   2.1219360889   1.4153297334
C   -2.3552332354   1.9891125473   0.6080910307
C    2.3045258066  -3.8545510174   0.8844840942
C    0.5128043183  -2.9419026801   0.0009861705
C   -2.7629496598   2.9951590794  -0.2630751701
C   -3.1173017201   0.8243925538   0.6683599665
C    1.4954441385  -4.7999668046   0.3356773905
C   -3.8956554954   2.8528419755  -1.0517077263
C   -4.2518351340   0.6615410020  -0.1118026262
C   -4.6318901157   1.6823711488  -0.9687999257
H    4.6025703223   0.6657945048  -0.8895849750
H    3.5132705081   1.1939026867  -2.1792078569
H    1.6080359969   2.6106365349   1.7440068803
H    1.2012311981   1.0946099526   2.5018492025
H    4.7005314737   0.5709731163   1.3835550082
H    3.6199703383   0.5341500172   2.7716490757
H    4.0371524798   2.0734431617   2.0281704290
H    3.2199802921  -2.6525877362  -1.4422302857
H    4.5036018814  -1.7978769872  -0.5725142591
H    4.2386645455  -1.5092874494  -2.2873024085
H    1.9863296880  -0.4727251032  -3.0400200458
H    1.0274207089  -1.4577899181  -1.9603995811
H    0.9435324863   0.3025606877  -1.8520767870
H    0.2429368360   1.9939479252  -0.2631855758
H   -0.1469015903   0.4500611702   0.4670294986
H   -0.8889450280   3.1766716698   1.6137813011
H   -1.2286618685   1.6404949295   2.3880550878
H    3.2537036478  -3.9176584389   1.3897614437
H   -0.2070571919  -2.1803041640  -0.2563286356
H   -2.1900471535   3.9123445393  -0.3319536551
H   -2.8251776857   0.0240726921   1.3383310471
H    1.6592846891  -5.8654343061   0.2967687350
H   -4.1973919156   3.6485484438  -1.7196171011
H   -4.8312076919  -0.2497486599  -0.0468273027
*