! 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   1.9561173342   3.1877619656  -2.5054316911
Cl   0.9928400725   4.7371775558   0.0581521370
F    4.8979175943  -3.3213857533   0.4238976253
F   -1.4059760903   1.1333196551  -0.5807739376
F   -1.8383468617   1.0719100375   1.5585745186
O   -1.5274880272  -3.4330796144   0.9490376190
N   -0.3482423751  -1.6268798808   0.2337923167
N   -4.9081828195  -1.3834990563  -0.1361629674
N   -4.4614723585  -0.1383598332  -0.0762149849
C    2.0073463278  -1.1588857676   0.2931075395
C    0.9683431058  -2.1021860136   0.3355274868
C   -2.7633441295  -1.5820649911   0.2521401497
C    1.7333326908   0.2977142360   0.2286411889
C   -3.1683995740  -0.2300983588   0.1519076070
C   -1.4967245101  -2.2911851499   0.5187323261
C   -3.9402177933  -2.2807806090   0.0623742008
C    3.3310573416  -1.5802535741   0.3108143284
C    1.2915548896  -3.4574058405   0.4193375419
C    1.9323169188   0.9909217067  -0.9594623158
C    1.3013104872   0.9895086950   1.3556839559
C    3.6154151652  -2.9261994235   0.3964154462
C    2.6139408761  -3.8698302815   0.4564362543
C   -2.4219857099   1.0380500105   0.3316047006
C   -6.3055330105  -1.6362845655  -0.3973387029
C    1.7048851831   2.3566874984  -1.0187477162
C    1.0813272430   2.3538500463   1.3001006455
C    1.2799193155   3.0412194273   0.1136755628
H   -0.4364248759  -0.7062694287  -0.1690024150
H   -4.1290033478  -3.3416962153   0.0467926926
H    4.1322483232  -0.8531055936   0.2750028391
H    0.5202838798  -4.2081830168   0.4432088395
H    2.2621947208   0.4654184458  -1.8460613842
H    1.1466081084   0.4650846992   2.2891228851
H   -3.0667515303   1.9092447186   0.2167879532
H    2.8510282842  -4.9236083156   0.5205645793
H   -6.5788989537  -1.2572473034  -1.3797593742
H   -6.4826017102  -2.7069439203  -0.3672975437
H   -6.9191470627  -1.1527337129   0.3594893724
H    0.7551862495   2.8877337825   2.1819787437
*