! 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  -1.7564622262   0.3628329623  -2.8897430691
Cl  -4.2193235383   4.5921204096  -0.7529059268
F    3.3675059226  -0.3229201925  -1.2402406269
F    3.5688303448   0.5283000965   0.7318373429
F    3.6257196451  -1.9649831564   1.8478582841
F    5.1282146893  -1.6650264276   0.2924038015
O    1.7698295340  -0.7121817531   0.2664380454
N   -0.3971314272  -2.2964342892   1.1293923977
N   -0.5720997652  -3.1490491316   0.1199970380
N    0.8207062646  -4.0140772248   1.6430654723
C   -0.5254525549  -0.1290111526  -0.0669458399
C   -1.0118253896  -0.9904781835   1.1082164297
C    0.8907739461   0.4075577008   0.1030116026
C   -1.4522992904   1.0450205563  -0.2687330196
C   -2.0525678062   1.3425434802  -1.4909276244
C   -1.7339625667   1.9010150023   0.7951423083
C    3.0778059737  -0.5456178697   0.0678764914
C   -2.9036391028   2.4261734933  -1.6514525390
C   -2.5757088096   2.9915982847   0.6671602857
C    0.4384927068  -2.8194816046   2.0266858346
C   -3.1581395482   3.2416642698  -0.5635942145
C    3.8040857586  -1.8139942303   0.5168372047
C    0.1755774600  -4.1644334720   0.4698502249
H   -0.5463196689  -0.7572062598  -0.9587214228
H   -0.8059052241  -0.5192430704   2.0692506734
H   -2.0913646093  -1.1246004961   1.0356262024
H    1.1626949193   0.9974415253  -0.7757495646
H    0.9580901515   1.0532325616   0.9823556561
H   -1.2862918004   1.7179060190   1.7639906927
H   -3.3580196583   2.6274288729  -2.6116374444
H   -2.7702894715   3.6313546151   1.5164953415
H    0.7305225921  -2.3030006064   2.9272641722
H    3.4438167291  -2.7014030575  -0.0046393295
H    0.2529369311  -5.0507632917  -0.1409251631
*