! 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  -1.5795413938   0.8396063331  -3.0981063472
Cl  -2.8307458366   3.5172855002   1.3556328791
F    2.6406197120  -0.3012881330   1.5211623877
F    4.0035891154  -1.2547312855   0.1483644818
F    4.7814199411   1.2230029019   0.9706428273
F    2.9450980075   2.0922797963   0.1675406425
O    2.1248981209  -0.3521676703  -0.6532345327
N   -1.5220531181  -2.7363576629  -0.1444031745
N   -0.8038157758  -3.4628298218   0.7163771415
N   -2.7964641727  -2.9529352112   1.5981819524
C   -0.0216528540  -1.1182805567  -1.3005277273
C   -0.9779955007  -2.3136272383  -1.4116541061
C    1.2892381812  -1.5156017895  -0.6379214064
C   -0.7030212529   0.0560702153  -0.6437207405
C   -1.4384584434   0.9870104142  -1.3746785179
C   -0.6755728424   0.2300809940   0.7380347702
C    3.1014304143  -0.2435668848   0.2469783234
C   -2.0950763832   2.0529986785  -0.7781400879
C   -1.3227541849   1.2788650510   1.3666095815
C   -2.7033229870  -2.4335253278   0.3972530707
C   -2.0242764484   2.1898784773   0.5963195307
C    3.8290656393   1.0807006733   0.0232352224
C   -1.6079254056  -3.5682018805   1.7443221282
H    0.2221012411  -0.8576268838  -2.3331036060
H   -1.8142384376  -2.0519879487  -2.0581018305
H   -0.4724330535  -3.1637256767  -1.8698072219
H    1.1494543096  -1.8939822398   0.3745151789
H    1.7583659838  -2.3090838935  -1.2232898622
H   -0.1384946675  -0.4709466737   1.3622012672
H   -2.6501192238   2.7605359423  -1.3783438885
H   -1.2735103452   1.3785785317   2.4417434286
H   -3.4538183047  -1.8517029008  -0.1149833474
H    4.2866096548   1.1340642309  -0.9649683704
H   -1.3258469635  -4.1158618115   2.6303814700
*