! 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
F    4.7960308470   1.7374535875   0.3613978575
F   -2.7428169848   1.9190716526  -1.8445124480
F   -2.7400297449   2.6579521781   0.2042082988
O   -0.7307685558  -0.8178735210   1.5958085743
N   -0.5214603750   0.4098250755  -0.2914029994
N   -4.7178900850  -1.1785172174   0.4040500236
N   -4.8444462856   0.0231681958  -0.1376775999
C    4.0623783874  -1.1681658161   0.1033488134
C    3.1421664944  -2.2199543352  -0.5432162922
C    1.6927566967  -1.7857786248  -0.2803820122
C    3.1739944776   0.0569788768   0.0412167405
C    1.8325648775  -0.2886699387  -0.1335537657
C    4.3433968295  -1.5141150857   1.5693749043
C    5.3757809134  -1.0511126881  -0.6648953553
C    0.7555448936  -2.2717265523  -1.3797034790
C    0.8544920863   0.7005812925  -0.1478248425
C    3.5113943114   1.3881925288   0.1728847024
C    1.2312520151   2.0360229057  -0.0371024277
C    2.5609924484   2.3902772827   0.1128331490
C   -1.2363712066  -0.2755413978   0.6250524103
C   -2.6884301738  -0.3691596652   0.3752524813
C   -3.6296508068   0.5308731143  -0.1709566120
C   -3.4528475787  -1.4563758339   0.7405546859
C   -3.4609110982   1.9141970751  -0.6769125725
C   -5.8664157064  -2.0441806190   0.5511942318
H    3.3487807621  -3.2293372746  -0.1806047232
H    3.3147671009  -2.2250946322  -1.6251339196
H    1.3477995291  -2.1935872530   0.6761185223
H    3.4228774696  -1.6734521605   2.1346644482
H    4.9375715827  -2.4279997269   1.6393943328
H    4.9018502606  -0.7186944935   2.0666166396
H    5.2155276542  -0.6888207234  -1.6820436368
H    6.0903553319  -0.3881962374  -0.1777890768
H    5.8471540660  -2.0337176097  -0.7380294871
H    0.9727820597  -1.7801989456  -2.3307389656
H   -0.2976526328  -2.1121563933  -1.1539105680
H    0.8878100665  -3.3453659517  -1.5274657207
H    0.4715271704   2.8072488757  -0.0578224112
H    2.8508004801   3.4289936355   0.2023167282
H   -0.9950498124   0.8044050516  -1.0893224422
H   -3.1727263426  -2.3927689790   1.1959834294
H   -4.4162867100   2.4038669520  -0.8643013247
H   -6.7634098959  -1.4605578351   0.3677580741
H   -5.8218949358  -2.8658818449  -0.1617490424
H   -5.9038581000  -2.4461988070   1.5611680547
*