! 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  -0.9452243048   0.6671139620  -2.9375626934
Cl  -3.3128333550   3.5198236913   0.9096661801
F    3.8921626921  -0.9626454250  -0.3033532305
F    2.6092850676   0.5099175700  -1.2185248615
F    4.7389537929   1.6019020345   0.0169395260
F    4.2017979178   0.6405460972   1.9029879780
O    1.9825994728  -0.4178682758   0.7221203910
N   -1.6346086590  -2.7663226956   0.0755837467
N   -1.1816837635  -3.4927792757   1.1013174176
N   -3.3302049408  -2.9525963285   1.4170720851
C    0.1211444269  -1.1690227243  -0.7106645658
C   -0.7759592823  -2.3793631332  -1.0166824828
C    1.2064207051  -1.5444900616   0.2948312501
C   -0.7078264830   0.0218404396  -0.3044841844
C   -1.2437646793   0.9006534904  -1.2448419907
C   -1.0316826780   0.2611940192   1.0293251373
C    3.0056349406   0.0191033979  -0.0137858310
C   -2.0414626200   1.9773173649  -0.8890239721
C   -1.8304255467   1.3225116796   1.4184509155
C   -2.9145752112  -2.4463692949   0.2813217135
C   -2.3243523536   2.1791623786   0.4499489326
C    3.7024760728   1.1436582167   0.7522439198
C   -2.2314133068  -3.5809764552   1.8782293400
H    0.6115268276  -0.9557082026  -1.6612184583
H   -1.4128759041  -2.1481222959  -1.8691189689
H   -0.1686041346  -3.2398542625  -1.2974789321
H    0.7931127107  -1.9516144579   1.2148775853
H    1.8414548482  -2.3223507910  -0.1339901952
H   -0.6571141138  -0.3945485689   1.8043635172
H   -2.4340060045   2.6426069152  -1.6455241269
H   -2.0588831831   1.4742120621   2.4641871821
H   -3.4933971950  -1.8619686444  -0.4167891087
H    3.0227379345   1.9661446071   0.9781565736
H   -2.2059561976  -4.1229362134   2.8108276133
*