! 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  -0.9341622983   1.0077452041   1.9668745394
Cl  -5.3237885542  -0.9625804700  -0.3954260060
O    0.8794816777  -2.2430562512   0.2578961308
N    1.4517184706  -1.0591323705  -0.0928061274
N    4.2926796146   2.0362683833   1.0088349871
C    1.1218570375   1.1931367240  -0.8101426715
C    0.6105595253  -0.1525057946  -0.3722045676
C   -0.8574014412  -0.3599855178  -0.3620465324
C    2.5834069596   1.3905194845  -0.5463164710
C   -1.6600208950   0.1498856312   0.6510718937
C   -1.4727527835  -1.0745232626  -1.3849868324
C    3.5548655874   1.0675215638  -1.4831752762
C    3.0182766905   1.8721419805   0.6834758439
C   -3.0351073483  -0.0221186632   0.6538152705
C   -2.8431700579  -1.2650645711  -1.4085934175
C   -3.6112459109  -0.7334410639  -0.3848160348
C    4.8912596251   1.2368170389  -1.1576978700
C    5.2091901432   1.7194872006   0.1017664898
C    1.8873767274  -3.1971086096   0.5330761916
H    0.9050634603   1.3039381727  -1.8776086145
H    0.5381535337   1.9729209135  -0.3146479681
H   -0.8701192211  -1.4866973868  -2.1837147138
H    3.2711686012   0.6885996893  -2.4576829456
H    2.2900764420   2.1378992031   1.4444280503
H   -3.6395133398   0.3838014856   1.4530772861
H   -3.3015432642  -1.8221431452  -2.2136384812
H    5.6744200171   0.9969394885  -1.8640026394
H    6.2454425537   1.8588687193   0.3889882528
H    2.5113206200  -2.8982695645   1.3789279656
H    2.5260314814  -3.3767143571  -0.3352131338
H    1.3702683134  -4.1212773992   0.7859701865
*