! 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    1.6921624230   1.0696697542   2.1323765584
F    1.3974577353   2.2166411144   0.3024913745
O    1.9468993625  -2.5772399771  -0.5007059291
N    0.5753598316  -0.7945082090  -0.1610333141
N    5.0592660871   0.0965687118  -0.4178296715
N    4.4949403876   1.0919702982   0.2487429183
C   -3.2951235724   1.2113962858  -0.1616506151
C   -1.9010531070   0.9129424711   0.4356210206
C   -3.9760025911   0.0588603987   0.6084382927
C   -2.2001200150   1.0310728617   1.9496023485
C   -3.6295504819   0.4457701354   2.0675200289
C   -1.7830108777  -0.5648217237   0.1460623432
C   -3.0712269418  -1.0896496010   0.2542658651
C   -3.4109563463   1.1983546881  -1.6838516058
C   -0.6929493778  -1.3894012741  -0.1039828267
C   -3.3132255216  -2.4398749979   0.1041986934
C   -2.5704427377   2.3119476987  -2.3005469578
C   -4.8665653982   1.3353405663  -2.1187136761
C   -0.9362592237  -2.7597580082  -0.2824137880
C   -2.2250483553  -3.2617633713  -0.1772897291
C    1.7875825586  -1.3837593551  -0.2971813914
C    2.9659691359  -0.5001588927  -0.1983753819
C    3.2289547223   0.7592231869   0.3904158175
C    4.1944557116  -0.8812868891  -0.6993952246
C    2.3614376106   1.7035922768   1.1336056101
C    6.4654213979   0.1350858531  -0.7537029561
H   -3.6602216588   2.1812517456   0.2004105091
H   -1.0899296927   1.5572359794   0.1012975378
H   -5.0382124008  -0.1057936042   0.4339211290
H   -2.1732889887   2.0779683210   2.2569868534
H   -1.4663994238   0.4980311048   2.5548148350
H   -3.6875705827  -0.4079399534   2.7434417077
H   -4.3341212754   1.1951179139   2.4328802196
H   -3.0351737430   0.2424249896  -2.0643963387
H   -4.3112810325  -2.8508151103   0.1921761613
H   -2.6644629027   2.3181669244  -3.3882937325
H   -2.8859293514   3.2946089735  -1.9395846667
H   -1.5084645767   2.2038899192  -2.0737899942
H   -5.3121565837   2.2563331302  -1.7330514816
H   -4.9492454688   1.3641373500  -3.2071513596
H   -5.4813838670   0.5024787428  -1.7736978875
H   -0.1300317233  -3.4371250213  -0.5083739473
H   -2.3774812232  -4.3235980761  -0.3242349482
H    0.5624419987   0.2115693087  -0.1310144557
H    4.4878562112  -1.7709236371  -1.2332390773
H    2.9271516408   2.5368921313   1.5498806249
H    6.9894873425  -0.6947146562  -0.2843512774
H    6.5981073148   0.0808134191  -1.8319746558
H    6.8802055982   1.0697861735  -0.3904888926
*