! 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  -1.0008395161   0.5345946234  -2.9813431519
Cl  -3.0904874904   3.4907736244   0.9496562878
F    3.7036751384  -0.6547648302  -1.0309407655
F    2.2142761300   0.9017681332  -1.1597235904
F    4.6513868153   0.4028435172   1.3083848466
F    3.0963432672   1.9372481422   1.2533583773
O    2.1635786212  -0.5019971880   0.5850284943
N   -1.5662805361  -2.7417074298   0.0927572669
N   -1.1305359619  -3.3621663998   1.1921271063
N   -3.2771491670  -2.7741485245   1.4269376222
C    0.2245904274  -1.2405760338  -0.7895614954
C   -0.6931882892  -2.4543830301  -1.0186591362
C    1.3651674405  -1.6116705747   0.1571796859
C   -0.5797610080  -0.0431545421  -0.3560037559
C   -1.1817950639   0.8110785046  -1.2777716518
C   -0.8066001875   0.2312824862   0.9907363723
C    2.9355356349   0.1652043777  -0.2716157245
C   -1.9533989045   1.8974005325  -0.8947702701
C   -1.5747486532   1.3043982702   1.4078726470
C   -2.8438313757  -2.3890097897   0.2507062970
C   -2.1375465778   2.1357314350   0.4552447259
C    3.8542071682   1.1235424185   0.4873727132
C   -2.1882674577  -3.3557257877   1.9642059872
H    0.6586235962  -1.0445315930  -1.7713520054
H   -1.3239026398  -2.2679525525  -1.8865228524
H   -0.1033671628  -3.3448525382  -1.2374634818
H    0.9992764606  -2.0415159004   1.0869445077
H    1.9883835127  -2.3723425004  -0.3176903142
H   -0.3780114392  -0.4047883043   1.7537670200
H   -2.3995425685   2.5428435501  -1.6385561077
H   -1.7257473910   1.4849843680   2.4630637685
H   -3.4103353108  -1.8755454405  -0.5108936801
H    4.4711024930   1.7203899237  -0.1871528608
H   -2.1759326706  -3.8004357748   2.9472989535
*