! 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   -3.0183510436   1.5683177578  -2.0471104188
F   -3.4662915109   2.4404332580  -0.1028190726
O   -0.7282778565  -0.5120262554   1.6452020127
N   -0.6912814370   0.7440283255  -0.2367182024
N   -4.4804438604  -1.7194231367   0.3546395725
N   -4.8246761196  -0.6238469143  -0.3043125217
C    3.4283865202  -0.8429893671  -0.4970705935
C    2.0625094251  -0.8194767329   0.2337938448
C    4.0277421861   0.2783839010   0.3860990459
C    2.4955761609  -1.0609380366   1.7020071796
C    3.8461465146  -0.3135894876   1.8041070638
C    1.7418625602   0.6463992606   0.1254139160
C    2.9625393062   1.3268094023   0.2247103945
C    4.1772598716  -2.1730704628  -0.5381091747
C    0.5686780892   1.3573215315  -0.0548232678
C    3.0323236178   2.7027773065   0.1568481564
C    5.5543371159  -1.9904407494  -1.1682547099
C    3.3757065135  -3.2196962435  -1.3054870300
C    0.6365519903   2.7522194543  -0.1387052673
C    1.8482804376   3.4143051540  -0.0362191831
C   -1.2834525335  -0.0898252911   0.6438931427
C   -2.6680519150  -0.4969066397   0.3302167680
C   -3.7449651994   0.1300109760  -0.3370524042
C   -3.2080815599  -1.6886294572   0.7650910142
C   -3.8580187505   1.4667766508  -0.9681110426
C   -5.4303763164  -2.7918048251   0.5504741345
H    3.3119938695  -0.4906204286  -1.5295096264
H    1.2942962268  -1.4991159174  -0.1293756609
H    5.0401379711   0.6103337759   0.1582550802
H    2.6130866310  -2.1289256042   1.8948849677
H    1.7496879828  -0.6907821472   2.4016820067
H    3.8441596378   0.4638675060   2.5687929890
H    4.6653420784  -0.9934811631   2.0454608770
H    4.3248141192  -2.5478631475   0.4795499332
H    3.9798753485   3.2226981294   0.2291667960
H    5.4759018517  -1.6026225414  -2.1872772612
H    6.1784265114  -1.2987313203  -0.5999843658
H    6.0915667151  -2.9395280814  -1.2195312554
H    2.4189525664  -3.4376297397  -0.8280558199
H    3.1674912866  -2.8901107420  -2.3267201113
H    3.9230021434  -4.1621614480  -1.3713671978
H   -0.2756839896   3.3172895290  -0.2896469460
H    1.8710949497   4.4938698750  -0.1111285383
H   -1.2087194585   1.0340908103  -1.0511334428
H   -2.7640534770  -2.5004546830   1.3184431358
H   -4.8728599861   1.6734615054  -1.3074127237
H   -6.4027104608  -2.4579088301   0.2028026753
H   -5.1327199113  -3.6737321933  -0.0132152192
H   -5.4974142051  -3.0454045755   1.6058866993
*