! 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   1.2325633120   0.3641937378  -2.6835573181
Cl   3.6585125619  -2.8799797448   0.8082535708
O   -0.7556924133   2.0652369453   0.8616915373
N   -2.2144481110  -0.3683428521   0.0407511073
N   -2.4777265013  -2.3670085893   0.9332510856
C   -0.4776187977   1.3608225921  -0.3195407523
C   -1.7306635477   0.6526426141  -0.8549698422
C    0.6064807984   0.3472838760  -0.0376232921
C    1.3993126941  -0.1903826864  -1.0467495748
C    0.7954073971  -0.1489160154   1.2493657709
C   -2.8945381338  -0.1829980005   1.2128759015
C   -1.9826789326  -1.6954140651  -0.0714637643
C   -0.9546369042   3.4596657171   0.7130813698
C    2.3433854473  -1.1761529944  -0.8043527896
C    1.7267232915  -1.1353788660   1.5238805941
C    2.4935126364  -1.6429742100   0.4892090282
C   -3.0507468207  -1.4296685298   1.7446858712
C   -2.2843568518   3.8073943152   0.1233908083
C   -2.4403453951   4.5500841136  -0.9647858657
H   -0.1409965603   2.0483864687  -1.1057930394
H   -2.5201774536   1.3812087400  -1.0392078117
H   -1.5068195102   0.1850221749  -1.8137620789
H    0.2019805762   0.2378346949   2.0657334466
H   -3.2141450034   0.7871933889   1.5522768954
H   -1.4533555922  -2.1112712052  -0.9159233796
H   -0.8819955933   3.8707446128   1.7230895080
H   -0.1465512395   3.9075834613   0.1217596372
H    2.9467731919  -1.5686965715  -1.6108305161
H    1.8452783866  -1.5017746583   2.5340991168
H   -3.5499009440  -1.6970445161   2.6634371592
H   -3.1586508633   3.4368491110   0.6517849388
H   -3.4234224257   4.8028917085  -1.3411750384
H   -1.5934253938   4.9396743381  -1.5184517686
*