! 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  -2.8492505482   0.3686259072  -2.5089644317
Cl  -2.5125458254   5.0567901511   0.0147208579
F    2.7683296114  -2.1015163620   0.5785138489
F    3.5214572949  -0.8607057356  -1.0182463130
F    2.9215027439   0.0426692738   2.3172647769
F    3.7536800290   1.2591381280   0.7057739475
O    1.6115286861  -0.2864945136  -0.0142685785
N   -0.6517604518  -2.8259747338   0.7161475687
N   -1.1792197961  -3.6045033675  -0.2300144797
N    0.1560390864  -4.7993955175   1.1100463742
C   -0.7108178878  -0.6854047203  -0.5110555528
C   -0.9830885000  -1.4221666150   0.8029116698
C    0.7223170518  -0.8245819629  -1.0015884724
C   -1.1633126100   0.7519062324  -0.3970784092
C   -2.1204453472   1.3074791396  -1.2456509376
C   -0.6438004157   1.5908196000   0.5899774334
C    2.8225709337  -0.8145165961   0.1424509001
C   -2.5433400332   2.6238733394  -1.1300858007
C   -1.0421963201   2.9086868272   0.7283033978
C    0.1407090092  -3.5493026605   1.5078808989
C   -1.9943349650   3.4153446385  -0.1389945367
C    3.6202141164  -0.0045071692   1.1610242195
C   -0.6648800247  -4.7765169485   0.0435646513
H   -1.3062907064  -1.1798563443  -1.2801110131
H   -0.4127593212  -1.0094182038   1.6331284152
H   -2.0390481508  -1.3255443068   1.0563450408
H    0.9390492163  -1.8753199921  -1.2068986121
H    0.8512543577  -0.2717990748  -1.9340216927
H    0.0986279141   1.2174353653   1.2806174767
H   -3.2903872178   3.0196081891  -1.8033771951
H   -0.6119381826   3.5256416396   1.5045751401
H    0.6665058670  -3.1329321190   2.3521352998
H    4.6063813242  -0.4327319721   1.3460763906
H   -0.8924312987  -5.6500641422  -0.5480125116
*