! 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  -0.2409331775   0.8617435785  -2.5540945051
Cl   3.8144451149   2.4891346717   0.4937948128
O   -2.3780341259   0.0587911424  -0.6573703488
O   -1.8074974569  -0.9138105464   1.2836110947
N    0.1292995962  -2.5613285526  -0.4180152694
N    0.2964620888  -3.1308993703   0.7764816244
N    2.2149697374  -3.1548336372  -0.3791642771
C   -1.3497762067  -0.6229611011  -0.0069723431
C   -3.2624339371   0.5964832287   0.3196796026
C   -3.1347733043  -0.4325217680   1.4324547687
C   -1.1058333647  -1.9257184407  -0.7927608007
C   -0.0661722626   0.1999959729   0.0970128060
C   -2.8939223348   2.0173367687   0.7216082535
C   -3.9941791333   2.6769004081   1.5390705954
C    0.4932164514   0.8777963310  -0.9837719970
C    0.6301945927   0.2447539737   1.3018466208
C    1.6802101071   1.5870635651  -0.8714867615
C    1.8184175616   0.9403800513   1.4421740320
C    1.2820120124  -2.5734230439  -1.0918356347
C    2.3328215451   1.6116637578   0.3476577343
C    1.5589120917  -3.4739271341   0.7534649400
H   -4.2631773187   0.5892996426  -0.1196799486
H   -3.2480795952  -0.0146575940   2.4339774790
H   -3.8557269628  -1.2476504420   1.3158787748
H   -1.0582936210  -1.7184913200  -1.8602968774
H   -1.9355132365  -2.6132059884  -0.6243456902
H   -1.9573639039   2.0250380279   1.2870102520
H   -2.7156603683   2.5986435032  -0.1865485470
H   -4.1967533874   2.1398870982   2.4677701717
H   -3.7175431088   3.6955624918   1.8112388913
H   -4.9295726189   2.7291365664   0.9787108307
H    0.2398429060  -0.2771298756   2.1630273227
H    2.0870110195   2.1086248356  -1.7267330772
H    2.3302158018   0.9518194081   2.3943556065
H    1.3870755929  -2.1609538926  -2.0836384580
H    2.0257040370  -3.9789974117   1.5849727957
*