! 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   -2.3078301269   0.7876988920  -2.4970512776
F   -1.6539631101  -1.0637710331  -1.6092902608
F   -3.6475664497  -0.8831898532  -2.3824594961
O    4.5325106985  -0.0296947830   0.0154192208
O   -0.2387902203   1.2125721710  -0.3557350404
N   -0.1606636467  -0.3690067928   1.2907027401
C    4.2946871988   0.7703103668  -1.1473361623
C   -2.2739832351   0.5322585043   0.6577047835
C    1.2043365021  -0.6521851404   1.4255372799
C    3.5152723940  -0.4859682719   0.7691430462
C   -3.1742230157   0.2430099045  -0.3714784224
C    2.1815694954  -0.1271533705   0.5792990785
C   -0.7853989546   0.4947556828   0.4590964588
C    5.6157385504   1.4355948419  -1.4748317971
C    3.7900113185  -0.0808738429  -2.2999156160
C    1.5579878040  -1.5212719892   2.4555705057
C    3.8708421443  -1.3580088353   1.7983146314
C   -2.7603649003   0.9394043797   1.8939066975
C   -4.5385732720   0.3748101637  -0.1507602461
C    2.8888071502  -1.8629111754   2.6302922768
C   -2.6930313218  -0.2253170094  -1.7144868496
C   -4.1242407284   1.0770342152   2.1067444109
C   -5.0123523108   0.7971202078   1.0828643205
H    3.5641864027   1.5518473671  -0.9112207649
H    1.8937319137   0.5464534893  -0.2098130868
H   -0.7618427714  -0.9163375611   1.8892949484
H    6.3835149692   0.6982020757  -1.7173270396
H    5.4971095305   2.0896467247  -2.3387988789
H    5.9731032374   2.0455158298  -0.6442031543
H    2.8639479488  -0.6068895317  -2.0648807443
H    4.5354074127  -0.8240327576  -2.5894637327
H    3.5911418390   0.5506501144  -3.1664525258
H    0.7990979394  -1.9276750676   3.1130541399
H    4.9094605431  -1.6300558203   1.9369909148
H   -2.0687813726   1.1692872973   2.6948364482
H   -5.2488367414   0.1446420064  -0.9327742213
H    3.1637118481  -2.5381012846   3.4301325360
H   -4.4870510755   1.4031648750   3.0722226661
H   -6.0777805854   0.8976796179   1.2397548497
*