! 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  -0.9425749154   0.4991185615  -2.9628964785
Cl  -3.2213400606   3.4452632371   0.8691033052
F    3.6353760581  -0.7455682739  -1.0149757810
F    2.2454670836   0.9030490456  -1.1278475821
F    4.7071927864   0.2915650687   1.2906875215
F    3.2737586511   1.9394485566   1.2139718184
O    2.1584454649  -0.4656260366   0.6420368155
N   -1.5622558699  -2.7702294533   0.1207601955
N   -1.1340290441  -3.2992842228   1.2689588702
N   -3.3324092342  -2.8951296190   1.3690610678
C    0.2298803958  -1.2434666418  -0.7162809592
C   -0.6607350570  -2.4725507902  -0.9643559936
C    1.3444481634  -1.5841739905   0.2693300434
C   -0.6035350701  -0.0518033709  -0.3204886252
C   -1.1874201415   0.7852267144  -1.2695862741
C   -0.8764289893   0.2324872511   1.0155518734
C    2.9461193310   0.1355154007  -0.2483867283
C   -1.9901194192   1.8608244990  -0.9219557966
C   -1.6772347825   1.2950096506   1.3973168178
C   -2.8730338397  -2.5284333258   0.1972447606
C   -2.2251175939   2.1061857357   0.4190132363
C    3.9507195041   1.0439589457   0.4611996447
C   -2.2276223590  -3.3558168381   1.9863127919
H    0.6915588371  -1.0525727571  -1.6865861024
H   -1.2698032105  -2.3009306787  -1.8500011305
H   -0.0479361712  -3.3520467787  -1.1636185763
H    0.9555201935  -1.9514700676   1.2158434024
H    1.9606762702  -2.3833006796  -0.1481771937
H   -0.4592606865  -0.3870491109   1.7981837850
H   -2.4215863935   2.4929901732  -1.6855913494
H   -1.8650293080   1.4840710979   2.4451582478
H   -3.4413084062  -2.1020661251  -0.6149303070
H    4.5951360692   1.5719493487  -0.2436363679
H   -2.2297248052  -3.7498666925   2.9905810290
*