! 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  -3.1215769905  -3.2190999903  -0.5342841990
F    5.8186478374   0.2741045095  -1.3817774351
F    5.4657918021  -0.7160695603   0.4877420144
F    4.2488485304  -1.1814470165  -1.2275030048
F   -5.3262578528   2.0279103041   0.9775338812
F   -4.0064410574   2.8720635801  -0.4907765725
F   -5.4736911771   1.4101137858  -1.0778931714
O    2.6589804832  -1.5271146030   1.3092841478
N    1.0655963914  -1.1752951575  -0.2566845956
N   -1.5798952155  -0.0102699850   1.1810891725
C   -0.6888909730  -2.2565368228   1.1147309876
C    0.3370832103  -2.3984077742  -0.0159552541
C   -1.7567013413  -1.2653708266   0.7744962085
C    2.5990813815   0.5941418194   0.2453976360
C    2.1262520166  -0.8117651445   0.4757761642
C    3.8898481525   0.9026954199  -0.1899211579
C   -2.8851731457  -1.6025136700   0.0238463694
C   -3.6193738898   0.6500313759   0.1502808885
C   -3.8316817633  -0.6455587072  -0.2894036846
C    1.7285752530   1.6237681715   0.5821204974
C    4.2900976718   2.2296960522  -0.2746206852
C   -2.4715847348   0.9184402842   0.8829642474
C    4.8542805433  -0.1806466869  -0.5745863535
C    2.1368694397   2.9474126922   0.5084779626
C    3.4185856920   3.2491454887   0.0813175709
C   -4.6090554790   1.7388914685  -0.1158815694
H   -1.1175658239  -3.2382581424   1.3201966251
H   -0.1820729651  -1.9285815740   2.0229513424
H    1.0377454436  -3.1938466909   0.2343847612
H   -0.1495518303  -2.6877241050  -0.9467166637
H    0.6886827398  -0.5170319739  -0.9194022654
H   -4.7070766473  -0.9181101522  -0.8632209783
H    0.7309955355   1.3835661396   0.9303746206
H    5.2817691089   2.4879875328  -0.6196821068
H   -2.2594679963   1.9169489673   1.2494110512
H    1.4529243900   3.7382594088   0.7868961598
H    3.7470316187   4.2777305524   0.0173801103
*