! 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  -1.6769646204   0.6833823600  -3.0585844007
Cl  -3.2735334124   3.4357274276   1.2354204858
F    3.6238309540  -1.0029873887   1.0122068422
F    4.0828307704  -0.6070162759  -1.0577664597
F    5.1521425684   1.2127513750   0.6173839152
F    3.1891678540   1.6544657428   1.4673496088
O    2.0491687218  -0.1028934956  -0.2943431807
N   -1.5171679952  -2.6343238519  -0.0571568767
N   -0.8644261330  -3.2055842206   0.9577449805
N   -2.9906748927  -2.8026776484   1.5265154117
C    0.0306830692  -1.0165348991  -1.1488006962
C   -0.8478935716  -2.2709509602  -1.2821504314
C    1.3165054676  -1.3316034737  -0.4006956268
C   -0.7643692214   0.1215200076  -0.5576327902
C   -1.5828619586   0.9307590703  -1.3434729610
C   -0.7676348817   0.3735216080   0.8124424502
C    3.3504450544  -0.1539833139  -0.0067399310
C   -2.3570412919   1.9501698632  -0.8105638544
C   -1.5297903085   1.3807266247   1.3776239341
C   -2.7807668064  -2.3926435381   0.2987703546
C   -2.3183142727   2.1664224936   0.5550018389
C    3.8288429287   1.2525009206   0.3471554587
C   -1.7867455744  -3.2882120022   1.8835506715
H    0.3198513307  -0.7578576345  -2.1701850732
H   -1.6175786342  -2.0980968510  -2.0325015249
H   -0.2552732929  -3.1200436994  -1.6232503746
H    1.1344085301  -1.7406963823   0.5935003424
H    1.8752124896  -2.0767366582  -0.9721073285
H   -0.1621296254  -0.2288746855   1.4760403893
H   -2.9770536276   2.5606541739  -1.4521904019
H   -1.5028233538   1.5461167244   2.4455510315
H   -3.5005305217  -1.9332233785  -0.3609267786
H    3.6406936667   1.9652004829  -0.4561233672
H   -1.5836149470  -3.7201579536   2.8512521609
*