! 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  -1.6068360705   0.3068608658  -2.7779601936
Cl  -1.4623419266   4.9226680854  -0.0886005970
F    3.3960789934  -0.7231500921  -1.0464555528
F    2.0648613466   0.9746162031  -0.9944330914
F    3.8962997147  -0.4090609188   1.6564145461
F    2.5663902546   1.3237311083   1.6826357574
O    1.5953297140  -0.8148243313   0.2634986827
N   -1.3661859732  -3.1286393531   1.0729587432
N   -0.3832666557  -4.0257375097   0.9648155431
N   -2.3775781050  -5.0341945272   0.8447050273
C   -0.7605889944  -1.0708043342  -0.1581877959
C   -1.1067998349  -1.7126208550   1.1933073034
C    0.6482210966  -1.4099317206  -0.6362818437
C   -0.9579540056   0.4244477993  -0.1383167784
C   -1.3282802795   1.1346529259  -1.2789027904
C   -0.7252336442   1.1700863062   1.0140213930
C    2.5534646277  -0.0341990932  -0.2299841543
C   -1.4880239719   2.5110801591  -1.2798122131
C   -0.8754129713   2.5458820294   1.0481495899
C   -2.5487056674  -3.7432007815   0.9973766025
C   -1.2595904723   3.2055177204  -0.1052667418
C    3.3795025219   0.5828894531   0.8983363551
C   -1.0368542502  -5.1525764956   0.8288223500
H   -1.4412361544  -1.5047313961  -0.8954964091
H   -0.3197192737  -1.5780552032   1.9345109086
H   -2.0131851961  -1.2606316793   1.5941575296
H    0.8153682994  -2.4864055233  -0.6301884274
H    0.7846594583  -1.0623002005  -1.6603850328
H   -0.4259711530   0.6741065713   1.9268379119
H   -1.7857047334   3.0280046773  -2.1813492661
H   -0.6906474868   3.0893986863   1.9640513061
H   -3.4884628019  -3.2172034235   1.0650574046
H    4.1866273768   1.2093145724   0.5155170933
H   -0.5258271318  -6.0962888302   0.7180922770
*