! 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   1.3434806595  -2.4938783279   1.0756009933
F   -3.2340425119   3.1147490388   1.5998718267
O    0.0239353569  -0.3996082121  -2.5761951198
N    2.4948113407   1.3365508205  -0.4724310312
N    3.1119648877   0.3911881668   0.2375793020
N    3.2492895144   2.3693832128   1.2776179758
C    0.5033978114   0.2809176773  -1.4352273464
C    0.4735647952  -1.1876503102  -1.4898839879
C    1.8065077472   1.0135305211  -1.6943508097
C   -0.5075635619   1.0205371752  -0.6283560042
C   -0.5640100084  -1.9644274032  -0.7637313026
C   -0.4415144988   1.0021378193   0.7608429477
C   -1.5072917559   1.7561776397  -1.2536417026
C   -0.2592717916  -2.6176990729   0.4262752471
C   -1.8649620628  -2.0614882517  -1.2461721439
C   -1.3583391097   1.7095622667   1.5225536512
C   -2.4338591934   2.4680500672  -0.5068132555
C    2.5774649269   2.5092706183   0.1608749915
C   -1.2079305200  -3.3489120726   1.1218518709
C   -2.8256527512  -2.7900869366  -0.5625984298
C   -2.3391732046   2.4306912984   0.8704989095
C   -2.4977788202  -3.4345536432   0.6208660019
C    3.5500259732   1.0553212177   1.2760875557
H    1.4163413522  -1.7038751078  -1.6640224938
H    1.6022272271   1.9456281776  -2.2228843782
H    2.4654102791   0.4131840335  -2.3222071923
H    0.3191576683   0.4181316908   1.2643393889
H   -1.5772658925   1.7764263787  -2.3337875049
H   -2.1288040189  -1.5618776591  -2.1683342089
H   -1.3135177769   1.6927388867   2.6034995680
H   -3.2164797655   3.0386833800  -0.9893800134
H    2.1460180190   3.4187131565  -0.2267798718
H   -0.9441315070  -3.8437035523   2.0468081964
H   -3.8310800688  -2.8544042989  -0.9568284900
H   -3.2424325400  -4.0050661029   1.1598860020
H    4.1128597972   0.5759936188   2.0618967077
*