! 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  -0.0005345277  -1.6521569848  -1.9194753546
Cl   4.7576310467   0.2228325521  -0.4246722832
O   -1.7911209135  -1.1724421862   0.3884299750
O   -1.5443772337   0.6469245248   1.6410420043
N   -1.3462202703   2.2319212117  -0.8239174361
N   -0.4125340577   2.4779516063  -1.7455810992
N   -0.7353177101   4.2798936084  -0.4577293168
C   -1.2351073828   0.0974423411   0.3893846733
C   -1.6172996228  -1.6878816917   1.7025173473
C   -1.6973027300  -0.4228289187   2.5661654845
C   -2.6832710230  -2.7193900842   1.9965649140
C   -1.9358834291   0.9253490842  -0.6920296701
C    0.2802231644   0.0728420818   0.1859237849
C   -2.6551142606  -3.9418911278   1.0829431772
C    0.9015556901  -0.6596792379  -0.8235105694
C    1.0961296920   0.8574548732   0.9946501693
C   -1.3692504496  -4.7519365297   1.1624355312
C    2.2743443093  -0.6244137027  -1.0146816111
C    2.4689737039   0.9157904613   0.8252343942
C   -1.5258895876   3.3130503542  -0.0596669397
C    3.0468350327   0.1687191681  -0.1846395021
C   -0.0773518844   3.7155223716  -1.4903336657
H   -0.6199655793  -2.1358023841   1.7922525090
H   -2.6651210385  -0.3179051001   3.0634319370
H   -0.9139854142  -0.3985012431   3.3269477880
H   -3.6644892372  -2.2379466417   1.9406341156
H   -2.5551944667  -3.0383883981   3.0358506569
H   -2.9910655946   1.0262971827  -0.4366824444
H   -1.8679231517   0.4319393918  -1.6588391844
H   -2.8324257883  -3.6355463051   0.0491203271
H   -3.4981054856  -4.5822906437   1.3535533859
H    0.6531250576   1.4496457863   1.7827657518
H   -1.1431749554  -5.0435307769   2.1903533907
H   -1.4492094710  -5.6668961369   0.5737218144
H   -0.5088994060  -4.2020009618   0.7788336333
H    2.7305711805  -1.2062843381  -1.8035104879
H    3.0704668360   1.5378496188   1.4732373516
H   -2.2343749349   3.3510824316   0.7525970283
H    0.6668581989   4.2351120212  -2.0739039665
*