! 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   0.5194391408  -0.2793160767   2.0342946561
Cl  -7.4826396951  -1.0656760459   0.9938085516
O    3.1821406616  -0.1042783689   0.8229192657
O    3.4688109510   0.6217065877  -1.2548280298
O   -2.4156460663  -1.4618819450  -1.9141713244
N    3.6926698902   2.6752587703   0.6375496944
N    4.4072192946   3.3754793556  -0.2462967645
N    5.5414431085   3.1435255510   1.6703198786
C    2.5791474110   0.6478747988  -0.1834060372
C    4.0185187842  -1.0900800490   0.2236681872
C    2.4242593577   2.0944637810   0.2885697021
C    4.0711947722  -0.6591602670  -1.2492061446
C    1.2181446213   0.0810017980  -0.5877234502
C    3.4789492534  -2.4879857867   0.4285584710
C    0.2585569822  -0.3572033180   0.3221557582
C    0.8804833189   0.0125705197  -1.9375617507
C   -0.9640036405  -0.8698210069  -0.0849305387
C   -0.3347427690  -0.4822941233  -2.3725942407
C   -1.2565793889  -0.9306158695  -1.4395628456
C    4.3844328098   2.5362454621   1.7715475530
C    5.5032719811   3.6373712585   0.4159628681
C   -3.5734402889  -1.3421330853  -1.1941165481
C   -3.9801812834  -0.1246196628  -0.6639766258
C   -4.3669458514  -2.4705289647  -1.0613776855
C   -5.1850053621  -0.0415287788   0.0141730791
C   -5.5792183481  -2.3851723257  -0.3939214213
C   -5.9762663847  -1.1726329799   0.1458198798
H    5.0033459940  -1.0050090021   0.6907357171
H    1.7621282621   2.1366073379   1.1526572282
H    1.9759918182   2.6992419316  -0.4980182820
H    5.0875023223  -0.5667401681  -1.6310342521
H    3.5244916591  -1.3580231345  -1.8933697890
H    3.4097890823  -2.7338559356   1.4884575248
H    4.1484331668  -3.2147274742  -0.0350278095
H    2.4906159213  -2.6108525897  -0.0176814290
H    1.5866915783   0.3621151331  -2.6781063268
H   -1.6702955405  -1.2210340619   0.6557322182
H   -0.5640911005  -0.5227857892  -3.4293182899
H    4.0075559143   2.0061406314   2.6317687664
H    6.3062623399   4.2132756158  -0.0178056680
H   -3.3720406352   0.7639990072  -0.7765432596
H   -4.0451742119  -3.4147955217  -1.4811558387
H   -5.5017474377   0.9059352661   0.4282149736
H   -6.1997977535  -3.2649981576  -0.2921679219
*