! 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   2.0661606494  -0.1934001423   1.9129945717
Cl   2.6832768518   4.6134005326  -0.2973390629
O   -1.5707207197  -0.4931511935  -0.7557138312
O   -0.6669608291  -0.9645521819   1.2467769228
N   -0.2136876298  -2.9459935552  -0.8297830622
N   -0.1132884247  -3.8422384170   0.1545076646
N   -1.5522910380  -4.5518840639  -1.4092844737
C   -0.3607876463  -0.6073277689  -0.0666380143
C   -2.6637879393  -0.5474371985   0.1593009014
C   -2.0453988713  -1.2713343115   1.3462839721
C    0.4739234408  -1.6835030978  -0.7806008782
C    0.4182501433   0.7050770708  -0.0816753940
C   -3.2178791962   0.8282859636   0.4876846970
C   -3.7754018153   1.5592503861  -0.7221117257
C    1.4997979491   0.9661755285   0.7584341783
C    0.0840381151   1.6868831955  -1.0090967557
C    2.1975753995   2.1641477837   0.7004507929
C    0.7638399251   2.8899609392  -1.0907194627
C   -1.0781491157  -3.3789714489  -1.7516541217
C    1.8172372100   3.1199218380  -0.2243074548
C   -0.9281606224  -4.7878776071  -0.2374416550
H   -3.4450775466  -1.1517446455  -0.3089122272
H   -2.4167742482  -0.9097720024   2.3069466021
H   -2.2125326739  -2.3521566801   1.3031642621
H    1.4291218524  -1.8345950792  -0.2810828892
H    0.6821559298  -1.3607035448  -1.8015446819
H   -4.0178684703   0.6862159964   1.2205608774
H   -2.4540101740   1.4353540548   0.9841937310
H   -3.0111282561   1.7607911815  -1.4733573426
H   -4.5671064686   0.9814630450  -1.2037925318
H   -4.2033771791   2.5194364767  -0.4314703349
H   -0.7314803951   1.5142295021  -1.6962674400
H    3.0283726284   2.3425234572   1.3687515868
H    0.4709147352   3.6300568721  -1.8220335654
H   -1.3175233238  -2.8196212865  -2.6423069817
H   -1.0771878445  -5.6855954350   0.3422558419
*