! 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  -1.5850931535   0.0241157841  -2.5857969273
Cl  -4.7458753738   3.1955310484   0.3198673024
F    4.1186780908   1.4478331460   0.5814033029
F    3.5799335128  -0.1711241979   1.9061888862
F    5.0962472850  -0.3523923267  -1.2512690539
F    4.5338200737  -1.9986808831   0.0716988400
O    2.6324274603  -0.0679654573  -0.1106701884
N   -0.9694935156  -2.1477520627   0.7168509959
N   -1.0840949099  -2.8970752119  -0.3796421935
N   -2.9377460541  -3.0442680890   0.8662212294
C    0.2488979285  -0.1659011709  -0.0626456807
C    0.1960223509  -1.3265401363   0.9364962247
C    1.4657666454   0.7178609355   0.1779874620
C   -1.0069857346   0.6673393261  -0.0001045419
C   -1.8866057490   0.8088988748  -1.0712763006
C   -1.3382774370   1.3345053739   1.1785026746
C    3.7428146049   0.1440073222   0.5938808326
C   -3.0369468489   1.5805134135  -0.9839419051
C   -2.4761962507   2.1119380721   1.2974898680
C   -2.0827596035  -2.2368237476   1.4468023638
C   -3.3187574753   2.2280538296   0.2047911218
C    4.8924298709  -0.6963133962   0.0391094168
C   -2.2771690794  -3.4175100141  -0.2464331302
H    0.3480954978  -0.5952863853  -1.0606381063
H    1.0809645886  -1.9547876362   0.8427843103
H    0.1565966097  -0.9671947241   1.9650767288
H    1.4454566252   1.5752456441  -0.4962373307
H    1.4822044657   1.0949373772   1.2032897368
H   -0.6912843954   1.2488214055   2.0430961725
H   -3.6993466442   1.6719262139  -1.8335521346
H   -2.6974061608   2.6156720090   2.2280651698
H   -2.2190446511  -1.7109869024   2.3789664248
H    5.8142713883  -0.5560397788   0.6054645023
H   -2.6863269639  -4.0958369640  -0.9791649870
*