! 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   5.4410306693   1.7318034825  -0.7579647636
O   -2.2438011022  -0.2443039508   1.6611991348
N   -1.2165489769  -2.5195909020   0.1211796567
N   -0.6998792918  -2.5262135035   1.3537529250
N    0.5654635009  -3.7528776207  -0.0159100122
C   -2.3575723925  -0.2949010836   0.2566271354
C   -3.7152834173   0.3999920395  -0.0976162222
C   -1.1219101913   0.3538275862  -0.4240788327
C   -2.4183536372  -1.7739006075  -0.1998975018
C   -3.6256073670   1.9120800261   0.1289805608
C   -4.1077659318   0.1665589159  -1.5602633051
C   -4.8501222373  -0.1297093277   0.7895320198
C   -0.4942830327   1.5740813979   0.2704202995
C    0.9862684522   1.6419655467   0.0163801589
C   -0.4479371620  -3.2509586439  -0.6848410741
C    1.5305302312   2.5092318880  -0.9248262706
C    1.8546540145   0.7999859474   0.7103847381
C    0.3684567959  -3.2754043148   1.2239032848
C    2.8970627266   2.5442477442  -1.1711052631
C    3.2203526444   0.8188317455   0.4810645823
C    3.7316688639   1.6961362855  -0.4636622877
H   -1.3535334635   0.5992240120  -1.4633022074
H   -0.3384961437  -0.4052190318  -0.4889788538
H   -3.2665580847  -2.2836265749   0.2580548452
H   -2.5308097483  -1.8434013231  -1.2799196700
H   -2.9956931744   2.4048552922  -0.6122376608
H   -3.2491514055   2.1644633411   1.1207425554
H   -4.6197035800   2.3559924579   0.0391519510
H   -4.3968563645  -0.8662005032  -1.7632160876
H   -3.3145490247   0.4361984054  -2.2602068967
H   -4.9721708994   0.7847359651  -1.8109150954
H   -4.9760690586  -1.2121138771   0.7287749202
H   -4.7116030090   0.1294698520   1.8384073739
H   -5.7965476616   0.3114434854   0.4690149897
H   -0.6658559743   1.5155731934   1.3461073202
H   -0.9587106819   2.4998131958  -0.0670917033
H   -1.5570015048  -0.8693664141   1.9423411725
H   -0.6629852182  -3.3894702802  -1.7327624806
H    0.8826790241   3.1768953747  -1.4801686047
H    1.4594173771   0.1144438760   1.4514998207
H    1.0237297857  -3.4817618139   2.0557065082
H    3.3001577583   3.2278914524  -1.9062927838
H    3.8752916456   0.1597960683   1.0351140578
*