! 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  -4.9762743117   1.7336268021  -0.0293549530
F   -2.6405734607  -2.7698687809   0.8883927605
F   -1.0879513314  -2.8696160604  -0.5901486964
F   -0.6335256944  -2.2055383741   1.4043284041
O    2.4246631624   1.2605605475   1.6884035326
N    2.6586342240  -0.8374030759  -0.3258866466
N    0.4572874177  -0.4575181471  -0.7010014437
N    4.7351033567  -1.5784027130  -0.2740149012
C    1.4354149089  -0.3041891788   0.0822883667
C    1.3931845540   0.3533717449   1.4471453482
C    2.2634347077   2.5514289962   1.1239797032
C   -0.8054422636   0.0703277033  -0.4673665262
C    2.7411851752   2.6744008052  -0.3135052068
C   -1.8421271472  -0.7274241266   0.0322652960
C   -1.0908245487   1.3840541031  -0.8328798898
C   -3.1231716750  -0.2111999689   0.1694533428
C    2.9186411230  -1.3685032858  -1.5739612891
C    2.6877318399   4.1238128762  -0.7739465037
C    3.8029165704  -0.9975937076   0.4122909874
C   -1.5554051210  -2.1427499912   0.4292950584
C   -2.3656265673   1.9022450583  -0.6970571491
C   -3.3762578397   1.0987810158  -0.1964424820
C    4.1966750698  -1.8114229695  -1.5173487826
H    1.4696450093  -0.4349958531   2.2019690743
H    0.4101718695   0.8172417887   1.5800510999
H    2.8508808525   3.2223500365   1.7554791047
H    1.2165396911   2.8728870653   1.2082849454
H    3.7650153000   2.2993893276  -0.3879592184
H    2.1328249892   2.0640971702  -0.9868473846
H   -0.3053006583   2.0047451600  -1.2441341301
H   -3.9266237781  -0.8201429044   0.5594424634
H    2.1844222613  -1.3769932428  -2.3597471967
H    1.6733652739   4.5251671341  -0.7256026231
H    3.3240037282   4.7604422989  -0.1565089648
H    3.0280506607   4.2205317842  -1.8048026081
H    3.8930835036  -0.6787921668   1.4367018492
H   -2.5629894094   2.9257601911  -0.9852601936
H    4.7647854332  -2.2862520445  -2.3016878880
*