! 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
F   -2.1811638404   2.2112246468  -1.2572978537
F   -1.9895426792   0.8427447926  -2.9554176168
O   -2.6464538929   0.9295652393   2.6040533514
N   -0.8697392371   1.8779323250   1.6229624155
N   -2.3562220995  -2.0158276553  -0.2903814215
N   -2.0824681834  -1.2254712706  -1.3195175255
C    1.7968873513  -1.2282829053  -0.0723703031
C    1.2597553882  -0.4472612331   1.1510396609
C    2.9469147395  -0.2253433068  -0.3275909938
C    2.5192508079  -0.3621392900   2.0512049977
C    3.6787665768  -0.2343593016   1.0357127531
C    1.1059233204   0.9170448658   0.5333027159
C    2.1687999314   1.0608860684  -0.3675897738
C    2.1683221618  -2.6919480797   0.1482408490
C    0.2258728462   1.9651501909   0.7402159378
C    2.3963584516   2.2491752208  -1.0309393430
C    2.9263374608  -3.2453801201  -1.0540528061
C    0.9133070281  -3.5195071160   0.4078039370
C    0.4523825277   3.1712096824   0.0681559257
C    1.5250982257   3.3130451159  -0.7958162306
C   -1.8535713166   0.9511647710   1.6721191685
C   -1.9563207499  -0.0617842046   0.6027828927
C   -1.8331412598  -0.0401700963  -0.8033598079
C   -2.3165576241  -1.3659570646   0.8758181208
C   -1.5256967804   1.1044068380  -1.7079073887
C   -2.7388513727  -3.3914289258  -0.5089085158
H    1.0715235440  -1.1868011908  -0.8946747932
H    0.3866835118  -0.8535080954   1.6544498551
H    3.5889284697  -0.4049386223  -1.1889973367
H    2.6163606066  -1.2633946570   2.6587556725
H    2.4640486560   0.4793932546   2.7423798684
H    4.2758288889   0.6662529042   1.1816980104
H    4.3623324809  -1.0832242794   1.0990963925
H    2.8177482946  -2.7850589311   1.0247905052
H    3.2288304253   2.3614600411  -1.7147480265
H    2.3432364817  -3.1406495410  -1.9727199738
H    3.8799651389  -2.7383451783  -1.2097881209
H    3.1453588646  -4.3070898211  -0.9244935755
H    0.3648415119  -3.1727547907   1.2852422347
H    0.2357482552  -3.4760782618  -0.4485960684
H    1.1617218516  -4.5690337706   0.5764806036
H   -0.2313813884   3.9973458977   0.2177439572
H    1.6734689620   4.2562124304  -1.3057473837
H   -0.9483587677   2.6092295050   2.3174034552
H   -2.5225171039  -1.8536092326   1.8151017553
H   -0.4645059835   1.3440144321  -1.7873933654
H   -2.3545049973  -4.0150571006   0.2945117269
H   -3.8236806623  -3.4860669278  -0.5448245688
H   -2.3212120494  -3.7289675360  -1.4528118639
*