! 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  -2.8554130505  -2.8551419501   0.6427577175
Cl  -5.3015284134  -1.3063188472   0.5907841312
F    2.9939477898   0.3918069490   2.6797204892
F    3.9240104376   1.9854031765   1.5229225279
O    1.3871827530   0.3675344517  -1.8500114712
N    1.1070704597   0.8442680825   0.3399832747
N    4.8551133977  -1.5630403135  -0.7130406663
N    5.0860156349  -0.9475780371   0.4367527271
C   -1.5703377060  -0.3048262962  -0.9267553513
C   -3.4936871107   0.9159945767  -0.9666991342
C   -1.8224260693  -0.0642851093  -2.4404444194
C   -3.1377930876   0.7553283285  -2.4675062469
C   -3.0027038275  -0.4181339953  -0.4583066311
C   -1.2488705617   1.0393796521  -0.3207602573
C   -2.4283009958   1.7923403798  -0.3523913335
C   -0.0932265857   1.5775496934   0.2135988561
C   -2.4753495815   3.0831671575   0.1295385152
C   -3.6319322727  -1.3903134658   0.1688917543
C   -0.1388768574   2.8814494814   0.7148637625
C   -1.3096530371   3.6212244830   0.6736161746
C    1.7977612842   0.3293771590  -0.7003651390
C    3.0927128073  -0.3076967827  -0.3934650525
C    4.0351025046  -0.1850411411   0.6547832540
C    3.6849962806  -1.2100887589  -1.2529319480
C    4.0580451960   0.6744933016   1.8625466795
C    5.8105174844  -2.5084875966  -1.2476024559
H   -0.8934580390  -1.1212412623  -0.6922252015
H   -4.5228852208   1.1975659229  -0.7602809509
H   -1.9423864778  -1.0194325561  -2.9527557894
H   -0.9840779379   0.4552755094  -2.8979961333
H   -3.0298250798   1.7227398300  -2.9576718034
H   -3.9319950675   0.2121325133  -2.9807930865
H   -3.3909923601   3.6605642226   0.1069117989
H    0.7569864462   3.3139451822   1.1436392588
H   -1.3150421453   4.6267300569   1.0737189360
H    1.4780095950   0.7518097981   1.2727140522
H    3.3420018594  -1.6180364725  -2.1900372908
H    4.9743317294   0.5434551606   2.4382144264
H    6.0682400315  -2.2430053548  -2.2702405048
H    5.4019695867  -3.5169157922  -1.2290881500
H    6.7060083544  -2.4747566271  -0.6353667497
*