! 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   0.1005147991  -0.4850004905   2.5618649391
Cl  -4.3535335885  -1.0638621235  -0.3623840483
O    3.6165684572  -1.5722381270  -0.0736173604
N    2.2683401875  -1.7475716393  -0.1441993674
N   -0.2697879652   3.5295260631   0.2264740294
C    2.2228028433   0.7112994782   0.1197017567
C    1.6169541557  -0.6625198805  -0.0482008531
C    0.1412290545  -0.8013876532  -0.1192691847
C    1.3074594620   1.8106460303  -0.3334540616
C   -0.6505916361  -0.7018537968   1.0188065823
C   -0.4969758240  -0.9955633742  -1.3384814680
C    1.1476794556   2.1067342838  -1.6821931649
C    0.5720005173   2.5646678946   0.5726659826
C   -2.0317821260  -0.7840872932   0.9628504216
C   -1.8763143623  -1.0802182793  -1.4285615293
C   -2.6302674299  -0.9682497675  -0.2724760887
C    0.2737858344   3.1123286016  -2.0572804858
C   -0.4166674298   3.7911744950  -1.0652702140
C    4.2754215644  -2.8206493913  -0.1596002113
H    2.4950945121   0.8523427385   1.1693977680
H    3.1591662602   0.7577375203  -0.4387524376
H    0.0951330233  -1.0741541786  -2.2403764279
H    1.7032844349   1.5578793699  -2.4331900935
H    0.6726769518   2.3776844642   1.6369998195
H   -2.6252931405  -0.7105750389   1.8633674325
H   -2.3513360103  -1.2275476843  -2.3883038173
H    0.1283268576   3.3690813648  -3.0976170201
H   -1.1086480296   4.5839857291  -1.3253662712
H    5.3408093165  -2.6038979258  -0.1191813969
H    4.0535231202  -3.3342669746  -1.0972013133
H    4.0168642523  -3.4730693757   0.6765854265
*