! 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   -1.5899300842  -1.1610219268   2.0010630960
F   -1.2114947796  -2.1985160884   0.1229826757
O   -2.2833092092   2.5638515812  -0.3699149388
N   -0.7254081878   0.9128583936  -0.2196574357
N   -5.0852130873  -0.4431696238  -0.4615533599
N   -4.4063948013  -1.4058177247   0.1438151828
C    3.3021374993  -0.6482904292  -0.6466084644
C    1.9264163418  -0.5785266421   0.0556019039
C    3.9172628865   0.4542705228   0.2454908657
C    2.3114814758  -0.8346542335   1.5334647093
C    3.6813734057  -0.1254809161   1.6632483774
C    1.6553684156   0.9013528564  -0.0493956952
C    2.8902638285   1.5381920634   0.0670579172
C    4.0029936914  -2.0043285807  -0.6701312733
C    0.4758545244   1.6305762917  -0.1517058398
C    2.9899751204   2.9157905913   0.0693657529
C    5.3991306781  -1.8716603448  -1.2701565750
C    3.1800835372  -3.0214605024  -1.4548269430
C    0.5740340927   3.0287583293  -0.1749075884
C    1.8129375029   3.6455840136  -0.0658400866
C   -1.9956775077   1.3813929334  -0.2718145816
C   -3.0689385861   0.3703177661  -0.2185419945
C   -3.1835694901  -0.9420028834   0.2973804522
C   -4.3388848360   0.6402855115  -0.6889250163
C   -2.2074511974  -1.8211046610   0.9863682949
C   -6.4816810713  -0.6311620513  -0.7762336645
H    3.2147742107  -0.2946427485  -1.6811331137
H    1.1589287601  -1.2476826897  -0.3294455688
H    4.9459265747   0.7498031409   0.0427495200
H    2.3927991212  -1.9046703069   1.7322286238
H    1.5604380763  -0.4411078158   2.2188222183
H    3.6852739147   0.6552211324   2.4241454233
H    4.4717003106  -0.8304814506   1.9269509374
H    4.1146186830  -2.3831310383   0.3505120399
H    3.9452750225   3.4167275460   0.1649143032
H    6.0368198817  -1.2089097712  -0.6829984773
H    5.8993240554  -2.8407855845  -1.3169229410
H    5.3573945162  -1.4738760446  -2.2872823647
H    3.6960931505  -3.9815911758  -1.5136004904
H    2.2086284050  -3.2100393137  -0.9947761141
H    3.0003505748  -2.6825266852  -2.4781679766
H   -0.3044235750   3.6425230309  -0.2815206528
H    1.8524081628   4.7272547092  -0.0899628872
H   -0.6083154776  -0.0840990907  -0.2900498247
H   -4.7353756497   1.5202172973  -1.1683445179
H   -2.6775896395  -2.7242973963   1.3757108896
H   -6.6077860122  -1.5097688489  -1.4046599472
H   -7.0595896467  -0.7547452619   0.1373296726
H   -6.8436426307   0.2422985352  -1.3097791912
*