! 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    4.7479719848   1.8577921944  -0.7220516056
F   -2.1549383842  -2.0853849935  -1.4202699874
F   -2.5897109454  -0.3286068769  -2.6317582465
O   -1.1870886067   2.0258717931   0.9346594889
N   -0.5013492088   0.2160289040  -0.2339808891
N   -4.9216441028   0.2578958968   0.9408142576
N   -4.7965914032  -0.5266510241  -0.1188007672
C    4.1628550262  -0.7218077723   0.7008680755
C    3.2612826583  -1.9576808644   0.8728996696
C    1.8103671549  -1.4619188858   0.9455807898
C    3.2075476970   0.2324391649   0.0154275248
C    1.8793155178  -0.1740090745   0.1529360651
C    4.5665048425  -0.1462550470   2.0627522492
C    5.4100078368  -1.0652956978  -0.1095211827
C    0.8301220582  -2.5292670578   0.4707638428
C    0.8490232492   0.6105522698  -0.3560491464
C    3.4773428589   1.4304938447  -0.6124245623
C    1.1580319928   1.7997138196  -1.0114436579
C    2.4707123099   2.2193466470  -1.1371708389
C   -1.4437050492   0.9735845559   0.3726012157
C   -2.8264740478   0.4602595158   0.3464516181
C   -3.5385212768  -0.4264815295  -0.4953962222
C   -3.7794652438   0.8772535811   1.2528397085
C   -3.1331204597  -1.1698667865  -1.7122670290
C   -6.1920444329   0.3851550607   1.6190116605
H    3.5410889552  -2.5573430094   1.7413595037
H    3.3630881722  -2.6008600018  -0.0078196645
H    1.5594658055  -1.2038388910   1.9817488127
H    5.1118805329   0.7924806362   1.9533103400
H    3.6986406125   0.0476897403   2.6958780321
H    5.2157382492  -0.8447499817   2.5951560544
H    5.1565074587  -1.3713805096  -1.1260936263
H    6.1100423548  -0.2329076426  -0.1717201662
H    5.9385068236  -1.8963597115   0.3620185872
H    0.8905243879  -2.6786230381  -0.6090558573
H   -0.2023338022  -2.3095816269   0.7400592835
H    1.0690867528  -3.4837127538   0.9428038395
H    0.3669591965   2.4027923970  -1.4363767497
H    2.7075196919   3.1471231534  -1.6412704017
H   -0.7449812253  -0.7026702344  -0.5630321413
H   -3.7061511292   1.5565953528   2.0868729031
H   -3.9720001325  -1.7013613566  -2.1611292331
H   -6.9163672836  -0.2447896296   1.1129638346
H   -6.1030224065   0.0654565027   2.6550837927
H   -6.5346285519   1.4173660838   1.5901579772
*