! 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    0.8735201783   2.3506883612   1.4119318275
F    4.1857348225  -1.8210778944  -0.9039854644
O   -1.0380777523   0.2393580259   1.7958835624
N   -1.6644425423  -1.9019803203  -0.0769426512
N   -1.0315725298  -2.6821385951  -0.9563635708
N   -1.5531532058  -3.8440359168   0.8832183950
C   -0.8259240537   0.3687934596   0.4115314581
C   -1.8603479939  -0.4994332509  -0.3408152795
C    0.5589875446  -0.1737765254   0.1000043305
C   -0.9403795273   1.8319148094   0.0033473590
C    1.1019422607   0.0220001036  -1.1655271332
C    1.2679290465  -0.9333276517   1.0216841182
C   -0.0715995813   2.7672338392   0.5591300460
C   -1.9009487353   2.3207633701  -0.8776967816
C    2.3250060567  -0.5268706306  -1.5151053345
C    2.4940858704  -1.4925258710   0.6891112714
C   -0.1249839852   4.1132347186   0.2636621240
C   -1.9806787469   3.6715837611  -1.1909480910
C   -1.9646797006  -2.6060422535   1.0178407020
C    3.0002896717  -1.2808172138  -0.5758148515
C   -1.0928214218   4.5682911728  -0.6205038708
C   -0.9878954401  -3.8342591046  -0.3401835775
H   -2.8749638014  -0.2237859615  -0.0472322471
H   -1.7811868287  -0.3726042737  -1.4183042051
H    0.5703749910   0.6089195439  -1.9051952500
H    0.8777381187  -1.1068645649   2.0140781432
H   -2.6097207057   1.6496227266  -1.3428295384
H   -1.8907963662   0.6306368902   2.0186745493
H    2.7421153878  -0.3703036292  -2.5012376208
H    3.0436206765  -2.0835088007   1.4103407638
H    0.5814245092   4.7940863079   0.7207816077
H   -2.7385841023   4.0160748040  -1.8814209870
H   -2.4859148807  -2.1910222378   1.8652253084
H   -1.1461338466   5.6220003621  -0.8596669330
H   -0.5368419140  -4.7041518938  -0.7921995091
*