! 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   0.1414741685  -0.4552651712  -2.1452936721
Cl   5.1313173033   0.6580352421  -0.7018474291
O   -1.3720335223  -1.0460025021   0.2279888337
O   -0.6437272301  -0.6316506197   2.2844201226
N   -1.3978562100   1.8508945617  -0.2735835814
N   -0.4349073941   2.6802647897  -0.6821774590
N   -1.9995612481   2.4534219786  -2.2680574627
C   -0.6291124470  -0.1422737743   0.9766079168
C   -1.2990682343  -2.3317181193   0.8418610576
C   -0.5837229835  -2.0427602793   2.1692034625
C   -2.6899939413  -2.9263891744   0.9763147142
C   -1.3455501067   1.2099990986   1.0127431884
C    0.8127994492   0.0034770168   0.4802069206
C   -3.6873970470  -2.0957557225   1.7748252677
C    1.2270335061  -0.1050661054  -0.8453443962
C    1.7846464516   0.3415740968   1.4207316425
C   -5.0190733497  -2.8132927056   1.9400861329
C    2.5537386344   0.0860420049  -1.2111948558
C    3.1092197037   0.5487248384   1.0828942888
C   -2.3215629567   1.7218923057  -1.2302394385
C    3.4835373903   0.4113398287  -0.2424027255
C   -0.8366007160   3.0151451288  -1.8809413253
H   -0.6881309418  -2.9951049038   0.2210492961
H   -1.0738394119  -2.4844333525   3.0371323676
H    0.4537260059  -2.3920850201   2.1499495340
H   -2.5731396565  -3.9125430145   1.4382158696
H   -3.0911602344  -3.1143987453  -0.0246073092
H   -0.8404682828   1.8817711652   1.7053468435
H   -2.3644032448   1.0594010680   1.3712639261
H   -3.8534701211  -1.1376912824   1.2762364212
H   -3.2865509785  -1.8606591187   2.7652164838
H    1.5023882405   0.4500192971   2.4591461216
H   -4.9018875619  -3.7511571190   2.4869964401
H   -5.7347301467  -2.2008829013   2.4909524042
H   -5.4685007264  -3.0514724902   0.9737903399
H    2.8493171882  -0.0105089225  -2.2466810613
H    3.8308501282   0.8124072388   1.8433145064
H   -3.1961982886   1.0996205402  -1.1229871364
H   -0.2724919385   3.6967945722  -2.4985744342
*