! 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  -0.4619448583   0.4701932460  -2.6386940056
Cl  -1.5349272651   4.8254554956   0.2544485832
F    1.7725646677   0.8556172289   1.3137348166
F    3.1144115218  -0.8323447966   1.3506664490
F    4.1830509826   1.3600545806   0.1890997860
F    2.5487426144   1.4490108052  -1.2572963623
O    1.4660365816  -0.8044161400  -0.1528679672
N   -1.8881853663  -3.3416832172   0.5714007882
N   -1.9566763584  -3.9464751519  -0.6147349737
N   -1.5674089157  -5.4417847802   1.0048736537
C   -0.9000229229  -1.1660462329  -0.0313561082
C   -2.0278038431  -1.9082711875   0.6903252230
C    0.4571579707  -1.5187342736   0.5716736742
C   -1.1077206942   0.3271586460   0.0050065421
C   -0.8968294972   1.1439535903  -1.1039545142
C   -1.4490084879   0.9628506788   1.1965178867
C    2.3552471308  -0.0720171980   0.5165495565
C   -1.0263792231   2.5236189989  -1.0405748479
C   -1.5899932152   2.3353767579   1.2930674000
C   -1.6540389693  -4.2425144547   1.5281131827
C   -1.3736873420   3.1064378393   0.1641360439
C    3.2798547533   0.6148793074  -0.4876122729
C   -1.7599571078  -5.2032429957  -0.3062824746
H   -0.9082711837  -1.5074429393  -1.0679615760
H   -2.0506195567  -1.6837850496   1.7560066485
H   -2.9904174870  -1.6144946813   0.2724589115
H    0.4747697591  -1.2844518795   1.6388667015
H    0.6729448228  -2.5821066913   0.4592298435
H   -1.6018801486   0.3777639790   2.0943438959
H   -0.8557177574   3.1300738777  -1.9191911468
H   -1.8569639277   2.7908929929   2.2364175789
H   -1.5601216469  -3.9816208681   2.5709259909
H    3.8019010862  -0.1041295379  -1.1200723660
H   -1.7568407752  -5.9789565635  -1.0563318515
*