! 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  -1.1595765161   0.0011047520  -2.4704460264
Cl  -4.9239701270   2.8729059564  -0.0060608697
F    3.0403355438  -0.0585898659  -1.4218395826
F    4.0505850822   1.5564493984  -0.4074593414
F    4.3197523318  -1.8943325369   0.1595518664
F    5.3331712372  -0.2762999819   1.2242995488
O    2.7032698626   0.2270511241   0.7715735741
N   -0.8883223443  -2.0692161399   0.9963261717
N   -0.9128682160  -2.8085281110  -0.1124027499
N   -2.8570813513  -2.9777973713   0.9846999651
C    0.3334284787  -0.0724662984   0.2743042804
C    0.2345666053  -1.2136701176   1.2936360766
C    1.4456326479   0.9068150940   0.6395014095
C   -0.9741766719   0.6718468418   0.1656577705
C   -1.7177603317   0.7468397387  -1.0102709523
C   -1.5032175671   1.3106838650   1.2863320115
C    3.5828980796   0.2941820942  -0.2281093680
C   -2.9304623310   1.4187715390  -1.0745023262
C   -2.7069580467   1.9912341882   1.2544780001
C   -2.0541681614  -2.1712497039   1.6367087171
C   -3.4138793449   2.0359256509   0.0645697405
C    4.7715988123  -0.6251196749   0.0456580710
C   -2.1093623731  -3.3367991210  -0.0764408854
H    0.5713499050  -0.5167865465  -0.6920080326
H    1.1422238906  -1.8159233650   1.2863146764
H    0.1018408532  -0.8355409851   2.3076370788
H    1.4967034262   1.7122119545  -0.0955921332
H    1.2644122641   1.3676698415   1.6109269951
H   -0.9649973073   1.2775777288   2.2256324380
H   -3.4857174335   1.4564509648  -2.0014044511
H   -3.0835562125   2.4740397863   2.1453101798
H   -2.2654754776  -1.6543197015   2.5597619731
H    5.5201341073  -0.5727196930  -0.7468514675
H   -2.4564301876  -4.0111637290  -0.8440499229
*