! 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   0.1551641278   1.1283038570  -2.2149715371
Cl   3.1923742531   4.2956185734   0.8069750822
O   -1.3579681236  -0.5010410649  -0.3046007459
O   -0.4231672197  -1.2343435198   1.5884357725
N   -0.1119925530  -3.0148076854  -0.5881561976
N    0.0124416283  -4.0316449311   0.2675766083
N   -1.5955862639  -4.4603196897  -1.2308795868
C   -0.1316420129  -0.7362909296   0.3208209282
C   -2.4094380918  -0.5329104257   0.6591401666
C   -1.6564929792  -0.6585898867   1.9774444864
C    0.6533079860  -1.8058645434  -0.4457314151
C    0.6947352812   0.5475735284   0.4069892851
C   -3.2856159862   0.6972548203   0.5565564661
C   -3.9755068794   0.8365692202  -0.7911594136
C    0.8646825874   1.4260495669  -0.6620428912
C    1.3476834672   0.8601835015   1.5956053538
C    1.6304570590   2.5769429373  -0.5486388838
C    2.1141898381   2.0043110429   1.7389412718
C   -1.0798223342  -3.2792746330  -1.4702003055
C    2.2448136742   2.8583110467   0.6588722589
C   -0.8912826328  -4.8750149201  -0.1583182910
H   -3.0134476114  -1.4302394819   0.4771505272
H   -1.5070860536   0.3181407846   2.4549540200
H   -2.1436277871  -1.3207722871   2.6917155923
H    1.5759679902  -2.0433090017   0.0814228936
H    0.9231849790  -1.4400907061  -1.4350635086
H   -4.0362051844   0.6325447333   1.3500269169
H   -2.6872453226   1.5884679171   0.7668278298
H   -4.5914867622  -0.0359634390  -1.0179561265
H   -4.6288658654   1.7095858643  -0.8039461983
H   -3.2532125661   0.9552321309  -1.5991869824
H    1.2567041341   0.1955593669   2.4434980297
H    1.7436593542   3.2413106828  -1.3940575097
H    2.5988351213   2.2179594437   2.6813629491
H   -1.3590406323  -2.5994982690  -2.2592789010
H   -1.0458524083  -5.8309125593   0.3179350687
*