! 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   0.1272186963   0.9029619572  -2.4811651355
Cl   4.3864621964   0.8660962780   0.7203942143
N   -1.3662434715  -1.9309217123  -0.1096935000
N   -1.5521229342  -2.4127682407   1.1185102118
N    0.0599433370  -3.5557928155   0.0673620444
C   -1.6221047253   0.5028104167   0.1697648703
C   -2.3313195095   1.7535433000  -0.3695347180
C   -2.0764184695  -0.7620364039  -0.5693724145
C   -0.1152156654   0.6162389264   0.2307968221
C   -3.8162218580   1.8326527457  -0.0137902857
C    0.7368274719   0.7923592880  -0.8586676859
C    0.4981300000   0.5098768639   1.4790784049
C   -4.0970590650   1.9473875103   1.4777736675
C    2.1150389712   0.8727166953  -0.7204776206
C    1.8687270096   0.5838136208   1.6545019838
C   -0.3967275353  -2.6122149538  -0.7216911650
C    2.6702269284   0.7686591526   0.5420792034
C   -0.6799997145  -3.3877933711   1.1796869846
H   -1.9377671834   0.3764226749   1.2083413802
H   -1.8288636606   2.6381925475   0.0314448542
H   -2.2266017649   1.8085765862  -1.4540311703
H   -1.9198851704  -0.6831670816  -1.6432137241
H   -3.1416079234  -0.9261946538  -0.4112206210
H   -4.2309002656   2.7080526186  -0.5199823513
H   -4.3562480572   0.9751100195  -0.4258126445
H   -0.1256239761   0.3616628120   2.3514614936
H   -3.7898491136   1.0590996718   2.0325270090
H   -5.1630305330   2.0824286448   1.6652980917
H   -3.5758517867   2.8027923006   1.9131658636
H    2.7430426218   1.0110819167  -1.5897047486
H    2.2979280877   0.4944822921   2.6428826263
H   -0.0685085916  -2.3950820416  -1.7264885933
H   -0.5767368204  -4.0057153028   2.0583190391
*