! 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    1.5059091551   1.9962805726  -1.4542714380
F    2.2818102024   0.3607641829  -2.6700339532
O    0.9691307121  -1.0845545989   1.7415555328
N    0.5870670567  -0.9130673120  -0.4825219754
N    4.7518355054   0.3642380377   0.8734696105
N    4.4799429422   1.0027650297  -0.2551208838
C   -3.1469808963   1.0035442450   0.8343960061
C   -1.7740083452   0.3860203561   1.1898805184
C   -3.9021969686  -0.3371210201   1.0033363891
C   -2.0785710768  -0.1969070643   2.5918822283
C   -3.5420943290  -0.6855984888   2.4659198381
C   -1.7467603076  -0.7790927412   0.2387277669
C   -3.0660778214  -1.2336199429   0.1295971562
C   -3.2682306092   1.6983196743  -0.5195944563
C   -0.7397064630  -1.3896476266  -0.4857963500
C   -3.3964647321  -2.2998644188  -0.6803834530
C   -2.2633990558   2.8395905533  -0.6410598324
C   -4.6873963886   2.2161711703  -0.7308837699
C   -1.0713783334  -2.4625892357  -1.3202112885
C   -2.3787497077  -2.9092116080  -1.4154306837
C    1.3412022148  -0.7509614613   0.6276463724
C    2.6737329795  -0.1519386565   0.4324160703
C    3.2320269285   0.7006928802  -0.5477740607
C    3.7041311562  -0.3264596108   1.3329058621
C    2.6454847238   1.3202448424  -1.7610251279
C    6.0403560536   0.5187638000   1.5103622748
H   -3.4508195611   1.7165606401   1.6119002083
H   -0.9129778109   1.0507643142   1.1639400381
H   -4.9708564219  -0.3421525669   0.7921699787
H   -1.9860026123   0.5853883822   3.3473772549
H   -1.3844183097  -0.9905726034   2.8600852841
H   -3.6550493759  -1.7502697399   2.6736459450
H   -4.2016121864  -0.1515476831   3.1525135310
H   -3.0513874319   0.9766524838  -1.3146386789
H   -4.4193499249  -2.6453789578  -0.7681313212
H   -1.2325141058   2.4824587309  -0.6289766432
H   -2.4009542732   3.3853779590  -1.5767897089
H   -2.3733275778   3.5582398624   0.1755708164
H   -5.4263999044   1.4133806883  -0.7107983731
H   -4.9648813384   2.9386721019   0.0412897259
H   -4.7832496341   2.7173366143  -1.6961910900
H   -0.2945466743  -2.9421085746  -1.9037682246
H   -2.6090220144  -3.7370844953  -2.0738252804
H    1.0375688923  -0.8437901764  -1.3812022421
H    3.7480930623  -0.8981298312   2.2458751293
H    3.3450388508   1.9999713799  -2.2476193178
H    6.3552679132  -0.4298388143   1.9371079104
H    6.7646111341   0.8295117018   0.7635716219
H    5.9916025131   1.2688462077   2.2981457525
*