! 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  -1.0631341588   0.7840159885  -2.9410370190
Cl  -5.1124468036   2.5735375003   0.0494422276
F    3.2968963531   0.6899878419  -0.9832559271
F    3.8671843758   1.2799181224   1.0125915795
F    4.3702808950  -1.8239734360  -0.5455903974
F    4.9779002738  -1.1897743012   1.4567160913
O    2.4518927161  -0.4293157503   0.7636262356
N   -0.7674429559  -2.2020083608   0.4317507489
N   -0.3816822437  -2.4035432933   1.6937515196
N   -2.5110907385  -3.0355290207   1.4178401641
C    0.2982644038  -0.0800045450  -0.3190804015
C    0.1053235456  -1.5886264271  -0.5380532585
C    1.1978150181   0.2563523223   0.8699207658
C   -1.0370312797   0.6158243483  -0.2240420194
C   -1.7349621566   1.0265849792  -1.3602518876
C   -1.6658619914   0.8263685619   1.0020717006
C    3.5149449584   0.2013477383   0.2664054993
C   -2.9807812102   1.6297401369  -1.2923995294
C   -2.9104979719   1.4246638020   1.1047585533
C   -2.0395981517  -2.5760814530   0.2832743436
C   -3.5582031164   1.8241623493  -0.0500733341
C    4.7078133348  -0.7527140541   0.2064615207
C   -1.4579754526  -2.9055445644   2.2460817349
H    0.8061442517   0.2779811154  -1.2160115598
H   -0.3333600973  -1.7584740712  -1.5202172888
H    1.0635486855  -2.1063157826  -0.5258825173
H    1.3330083392   1.3377964332   0.9394255659
H    0.7822503242  -0.0848098003   1.8148905776
H   -1.1848036673   0.5184182751   1.9204089378
H   -3.4888297637   1.9398941765  -2.1947152923
H   -3.3622199438   1.5699108638   2.0760722643
H   -2.5667774857  -2.5049498478  -0.6556025049
H    5.5941132313  -0.2741843847  -0.2136062157
H   -1.4820455454  -3.1935867319   3.2857903322
*