! 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  -0.0422063500  -0.5938159401  -2.7325804309
Cl   4.3987864123  -0.7938364265   0.2005156431
O   -2.2253055774  -1.3638062923  -0.8830712350
O   -2.1572109704  -0.7381746978   1.2538034660
N   -1.4518545718   1.9778139376   0.3533137912
N   -1.8670325152   2.2748985124   1.5872120260
N   -0.0454338091   3.4681264198   1.0636760073
C   -1.6385393338  -0.4507317959  -0.0129714896
C   -2.0861264135   0.9547172374  -0.4331376911
C   -0.1128890243  -0.5684114224   0.0057092697
C   -2.3357749100  -2.5745274753  -0.1555529431
C   -2.5950023337  -2.0934309261   1.2692818093
C    0.6637388688  -0.6308538640  -1.1504253449
C    0.5617064650  -0.5581985205   1.2232006549
C    2.0477577568  -0.7043582116  -1.1001061994
C    1.9420728863  -0.6260712411   1.3031923835
C   -0.3608634422   2.6911345111   0.0579669831
C    2.6750466168  -0.7038161837   0.1330311324
C   -0.9974442222   3.1735754165   1.9713866336
H   -3.1662021541   1.0401944976  -0.3225410560
H   -1.8421712784   1.1286988871  -1.4791845255
H   -1.4158521466  -3.1635733192  -0.2276193415
H   -3.1548357045  -3.1592093377  -0.5710750095
H   -3.6548422157  -2.1169425255   1.5306426621
H   -2.0409707120  -2.6720765903   2.0107744559
H   -0.0034287815  -0.4913778990   2.1420195745
H    2.6239128561  -0.7589434003  -2.0132903995
H    2.4313585230  -0.6159716665   2.2670604162
H    0.1530637736   2.6185457966  -0.8884747637
H   -1.0548213115   3.6415441863   2.9418706541
*