! 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   3.1904775607   4.1197539333  -0.8873562236
Cl   1.0073317275   4.9425257272   1.2256762218
F    5.1390509585  -3.0168456141   0.4646356004
F   -5.4317827285  -3.0263205556  -0.8330402039
F   -4.3234199855  -3.1985554121   1.0368834926
O   -1.2530321796  -2.9855855902   0.3327122368
N    0.0046326856  -1.2558052330  -0.4348609809
N   -3.7845248969   0.5637911500  -0.7716024483
N   -4.5325676856  -0.5295655405  -0.6961880251
C    2.2719302040  -0.8324035835   0.2596665815
C    1.2920351337  -1.7428184348  -0.1587440649
C   -2.3673462860  -1.0514841070  -0.3960409653
C    1.9465138465   0.5931005931   0.4916246914
C   -3.6964575427  -1.5167002216  -0.4615335385
C   -1.1717219558  -1.8595253148  -0.1294876453
C   -2.4842015411   0.3101159638  -0.6015338876
C    3.5784329706  -1.2706262290   0.4502485535
C    1.6295908307  -3.0795273963  -0.3501718495
C    2.6237075824   1.5832102693  -0.2108602432
C    0.9781192750   0.9681027372   1.4223694937
C    3.8796491562  -2.6026595427   0.2620048454
C    2.9245450807  -3.5181343878  -0.1285381165
C   -4.1923386192  -2.9110523128  -0.2898164872
C   -4.3894106234   1.8547462329  -1.0164002484
C    2.3400251841   2.9225169508   0.0095005499
C    0.6969764012   2.3034600664   1.6464627152
C    1.3736700963   3.2867867066   0.9392627554
H   -0.0366301311  -0.3355576555  -0.8441014471
H   -1.7539993817   1.1045394460  -0.6250102050
H    4.3465312527  -0.5783407071   0.7712126091
H    0.8918178713  -3.7861412322  -0.6981271960
H    3.3712266200   1.3130904508  -0.9453206824
H    0.4499278167   0.2177819881   1.9958572650
H   -3.5441085518  -3.6594795135  -0.7419191688
H    3.1842865092  -4.5576883634  -0.2782703780
H   -4.0163533767   2.2792335834  -1.9460583154
H   -5.4635959850   1.7204092930  -1.0915065218
H   -4.1714633845   2.5360685275  -0.1967550085
H   -0.0475169511   2.5835873423   2.3791023147
*