! 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   0.0907867593  -0.7222183477  -2.5644272000
Cl   4.5244137481  -1.7774986853   0.1931214414
O   -2.0938236396  -0.7417973093  -0.5520869615
O   -1.6867659306   0.1073665046   1.4935013939
N   -0.3822536908   2.3899680796   0.1799729889
N    0.7993540838   2.6345718439  -0.3913013774
N    0.6693913171   3.6466907431   1.6006611708
C   -1.2300761510   0.0802926835   0.1661552552
C   -2.8509262635  -1.5228375703   0.3645352450
C   -2.9093775925  -0.6071014887   1.5739109678
C   -1.3317202524   1.4951129160  -0.4290844496
C    0.2071099395  -0.4310098488   0.1536914556
C   -4.1814463526  -1.9121371725  -0.2511004528
C   -4.9994566605  -0.7599375852  -0.8153041819
C    0.8693112794  -0.7886006183  -1.0190719278
C    0.9337258230  -0.5001731772   1.3381842829
C    2.1904346802  -1.2088294790  -1.0161424198
C    2.2564619006  -0.9086769037   1.3704159531
C   -0.4438619798   2.9932339408   1.3703720511
C    2.8743854040  -1.2624735026   0.1852614736
C    1.3940913207   3.3922687526   0.4929555344
H   -2.2963038800  -2.4349214507   0.6213530654
H   -3.7619547328   0.0795626096   1.5431633911
H   -2.9421015561  -1.1537906820   2.5166577079
H   -2.3417503512   1.8749958507  -0.2700155557
H   -1.1425586065   1.4895635151  -1.4997630288
H   -4.7526767912  -2.4386928562   0.5185653439
H   -3.9962931042  -2.6470072931  -1.0381852300
H   -5.2780466974  -0.0312205706  -0.0529011035
H   -4.4637561061  -0.2299926060  -1.6022322116
H   -5.9263123380  -1.1364173603  -1.2487631830
H    0.4626565138  -0.2269374418   2.2709308982
H    2.6762172867  -1.4864627440  -1.9411923517
H    2.7893161867  -0.9474804507   2.3102299446
H   -1.3053261265   2.9380692754   2.0166411027
H    2.3871162080   3.7824824459   0.3315803214
*