! 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   -1.3117711269  -0.0986055989  -1.9863991042
F   -1.9173369533  -1.7443966945  -0.7377744073
F   -3.2192676752  -1.0335650587  -2.2893517134
O    4.4778934425  -0.1903440514  -0.5732897504
O   -1.3904910507  -0.9870324335   2.3715873822
N   -0.0932433185   0.0882811684   0.8325886982
C    4.2944610634   0.7524579952  -1.6342312979
C   -2.4501312953   0.5244431012   0.8946617109
C    1.1828410646  -0.4506744000   1.0444711129
C    3.4703959105  -0.5101395417   0.2577184872
C   -2.9848343441   0.3269707139  -0.3811937179
C    2.1683421108  -0.0406126600   0.1402374623
C   -1.2623834210  -0.2212910592   1.4363748905
C    4.3098074313   2.1747235024  -1.1030592094
C    5.4183570608   0.5025006804  -2.6183375215
C    1.4973214115  -1.3316120972   2.0733880235
C    3.7902135640  -1.3955095563   1.2903928760
C   -3.0762214745   1.4079716054   1.7658052403
C   -4.1149080173   1.0350621269  -0.7731644872
C    2.8062534861  -1.7899137343   2.1735047419
C   -2.3620523208  -0.6390409797  -1.3464968502
C   -4.1971746352   2.1177868021   1.3670288068
C   -4.7150101804   1.9322143406   0.0954925335
H    3.3437342596   0.5532438289  -2.1411859216
H    1.8896502331   0.6425690389  -0.6518569459
H   -0.1345632837   0.8119930701   0.1306025553
H    5.2675616294   2.4032983520  -0.6319902556
H    4.1636810827   2.8781185447  -1.9236006614
H    3.5218305179   2.3611178269  -0.3724001632
H    5.3918623571  -0.5180492896  -3.0020005795
H    6.3948113054   0.6750759414  -2.1620650197
H    5.3226323378   1.1779807080  -3.4685900376
H    0.7608991541  -1.6568747089   2.7880604304
H    4.8030757641  -1.7653188070   1.3860827573
H   -2.6770617535   1.5500117913   2.7617084611
H   -4.5451986159   0.8897294767  -1.7542128087
H    3.0584572317  -2.4752913463   2.9723548709
H   -4.6673020849   2.8097477100   2.0527132627
H   -5.5935504477   2.4768527099  -0.2223001822
*