! 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  -4.9635938273   1.6875034179  -0.2249163394
F   -1.3362308935  -3.1110224481  -0.5361711306
F   -0.7475492785  -2.3570461460   1.3910299055
F   -2.8052633363  -2.8332804148   1.0037815569
O    2.1890953956   1.8006426797   0.3209232285
N    2.6111984126  -1.0114044480  -0.4872225315
N    0.3675444094  -0.7761527069  -0.7202979176
N    4.7571486140  -1.5141494739  -0.5497206741
C    1.4185604787  -0.3716329639  -0.1501483443
C    1.5181033257   0.7124876348   0.8916079643
C    2.3896533373   2.8559498575   1.2428455311
C   -0.8664234966  -0.1672667977  -0.5440598409
C    3.1718452931   3.9650564132   0.5737868058
C   -1.9383184869  -0.8953038178  -0.0134730374
C   -1.0912377987   1.1375892320  -0.9779416027
C   -3.1954850707  -0.3194951538   0.0914964782
C    2.7401668659  -2.0721556977  -1.3610813152
C    3.3925800496   5.1315939804   1.5248803432
C    3.8712499493  -0.7226844866  -0.0342914871
C   -1.7085915589  -2.2987667969   0.4586500948
C   -2.3461403655   1.7120336962  -0.8839497555
C   -3.3909707938   0.9787474105  -0.3481666381
C    4.0628073331  -2.3634419335  -1.3785625010
H    2.0453386091   0.3191513049   1.7719773630
H    0.5122549062   0.9839136270   1.2303629376
H    2.9332606314   2.4889509396   2.1247604715
H    1.4213314643   3.2344374955   1.5989150840
H    4.1351761436   3.5764796785   0.2332081478
H    2.6334244303   4.3075383987  -0.3138450679
H   -0.2755282095   1.7055722551  -1.4062379661
H   -4.0252207443  -0.8709229787   0.5106837374
H    1.8954213419  -2.5088151508  -1.8635381732
H    2.4464475357   5.5623456432   1.8576171081
H    3.9465799428   4.8251664651   2.4141613803
H    3.9624260574   5.9267878023   1.0439549157
H    4.0770281204   0.0738011617   0.6612549520
H   -2.5002436914   2.7257840368  -1.2276568901
H    4.5596557622  -3.1377290208  -1.9414914056
*