! 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  -5.0187893403   1.4605192695  -0.6162743204
F   -0.8332241864  -2.6637480393   0.6801182830
F   -0.0517060566  -1.0213045627   1.8293618615
F   -2.0578769637  -1.7082985677   2.1607301968
O    2.6464821900   1.9115913541   0.0632998584
N    2.7262768903  -0.6968174710  -1.1192158808
N    0.4670246110  -0.6687300066  -0.9686401586
N    4.0564473716  -2.4495514474  -1.2776882332
C    1.5318327939   0.0123414786  -0.9763268134
C    1.6492822126   1.5170113874  -0.8308355953
C    2.4234343764   1.5768114477   1.4240287761
C   -0.7999533907  -0.1186643766  -0.8684921976
C    1.3187788394   2.3776803068   2.0928022434
C   -1.6499985822  -0.5151414291   0.1734869502
C   -1.2974243371   0.7475395479  -1.8405035382
C   -2.9434353432  -0.0212820875   0.2526136465
C    3.9854069004  -0.2110321334  -1.4194441278
C    1.2264106557   2.0378180781   3.5733319213
C    2.8424318938  -2.0612720299  -1.0523343789
C   -1.1495787577  -1.4767776530   1.2085447992
C   -2.5900801800   1.2341972748  -1.7709596458
C   -3.4037328503   0.8513832449  -0.7188817284
C    4.7789451024  -1.3044118373  -1.5167743987
H    0.6673110838   1.9184240174  -0.5641376543
H    1.9021011439   1.9459734172  -1.8044722382
H    3.3729159450   1.7758823644   1.9247472666
H    2.2324894785   0.5015917739   1.5388891862
H    1.5199654173   3.4445870964   1.9662243655
H    0.3512535504   2.1822487878   1.6229443916
H   -0.6692217044   1.0306139540  -2.6751803681
H   -3.5990657189  -0.3101054384   1.0617817239
H    4.2075188506   0.8332904755  -1.5429091223
H    2.1616498985   2.2530584662   4.0934395275
H    0.4405262085   2.6162273634   4.0591286513
H    0.9975063555   0.9820922151   3.7292698732
H    1.9996348114  -2.6929841791  -0.8241965911
H   -2.9525211706   1.9074582303  -2.5356357308
H    5.8331885253  -1.3329230145  -1.7426173915
*