! 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   -0.0325198941   0.8719681501  -1.9713207807
F    5.6086624829  -0.3166717769  -0.1265641037
O   -0.1359401760  -0.9083196734   1.8753567051
N   -2.0649232687  -1.5351797667  -0.2997185527
N   -2.6696114438  -1.7458601367   0.8730667942
N   -4.1802872721  -1.2991159796  -0.7091635537
C    0.0128776350  -0.4979138275   0.5368846136
C   -0.6252164487  -1.5605878473  -0.3933131683
C    1.5183297096  -0.4272306796   0.3059122482
C   -0.6662649861   0.8501225454   0.2987214718
C    2.2049200129   0.7823421691   0.3113612958
C    2.2585722644  -1.6020977456   0.1799234519
C   -0.6735163394   1.4660074027  -0.9466293024
C   -1.3199774933   1.5226829137   1.3260937143
C    3.5842071290   0.8309191749   0.1679607142
C    3.6353781656  -1.5757277560   0.0270390649
C   -1.2946674635   2.6722748505  -1.1943530015
C   -1.9537075783   2.7387577555   1.1098740986
C   -2.9758796025  -1.2617837812  -1.2319124186
C    4.2760013601  -0.3527536853   0.0210046607
C   -1.9454229264   3.3135260529  -0.1508314358
C   -3.9374133001  -1.5938527668   0.5796186260
H   -0.3546291357  -1.4127501334  -1.4345095251
H   -0.2872784686  -2.5557581846  -0.1055012343
H    1.6757669102   1.7171119805   0.4388119975
H    1.7757734055  -2.5698406878   0.2025331502
H   -1.3276410573   1.0980199852   2.3200481779
H   -1.0458796317  -1.2240194422   2.0054409042
H    4.1072942435   1.7781080064   0.1736524526
H    4.1976713140  -2.4941251717  -0.0784642393
H   -1.2636142584   3.1015442356  -2.1874610078
H   -2.4522498704   3.2353810950   1.9314446397
H   -2.7237794047  -1.0554008823  -2.2602377696
H   -2.4374287388   4.2605966699  -0.3278518263
H   -4.7118813086  -1.7034629469   1.3224626845
*