! 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   0.6538803638  -1.2442509421  -2.1780557420
Cl   5.2042576221  -0.5740241459   0.5544906966
O   -1.1585691007   1.3212811640   0.8998947446
N   -2.8872501387  -0.9593118281   0.5316818878
N   -4.8784245781  -0.9658196320  -0.4124560293
C   -0.7568986913   0.2163335786   0.1301087180
C   -1.4519424841  -1.0482114489   0.6495645759
C    0.7383686174   0.0277335487   0.2209981226
C    1.4605212282  -0.6308770958  -0.7696527618
C    1.4450748384   0.4793289357   1.3318695395
C   -3.7560052813  -0.4520223424   1.4571028162
C   -3.6120348984  -1.2432893215  -0.5739821119
C   -2.0342355750   2.2241893276   0.2641916369
C    2.8305340382  -0.8226307825  -0.6836487891
C    2.8127336476   0.2996141640   1.4494822972
C    3.4950975883  -0.3486716407   0.4337462381
C   -4.9808411910  -0.4690151318   0.8558406321
C   -1.3750959065   3.1761564756  -0.6809695619
C   -0.0725273079   3.3249319698  -0.8821044509
H   -1.0338990169   0.3621487683  -0.9205212618
H   -1.1091036450  -1.9239395123   0.0981332289
H   -1.1948228218  -1.2075932744   1.6970233007
H    0.9198645042   0.9930634331   2.1253507154
H   -3.4375410720  -0.1399010431   2.4376352067
H   -3.1609736823  -1.6604092871  -1.4623923551
H   -2.8409924211   1.7001186718  -0.2641581336
H   -2.5267256535   2.7908166860   1.0602185485
H    3.3652154543  -1.3302133079  -1.4745009507
H    3.3353830453   0.6639947065   2.3229994718
H   -5.9265782040  -0.1567611773   1.2713909213
H   -2.0746943385   3.7965204016  -1.2340354230
H    0.2945137317   4.0521772546  -1.5946331822
H    0.6777967714   2.7459764181  -0.3590116808
*