! 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    0.2899999263   1.0542745826  -1.7856976299
F    5.5893349253  -0.2393981490  -0.1861576015
O   -0.2036822257  -1.0947656111   1.8064739857
N   -2.1168326636  -1.5275961762  -0.3092363548
N   -2.8436030684  -0.8223291019  -1.1786453554
N   -4.1517027333  -1.6689293054   0.4275518257
C    0.0079738556  -0.5794160638   0.5112997376
C   -0.6817480523  -1.5899358646  -0.4232782047
C    1.5078747531  -0.4895426079   0.2499544111
C   -0.6611875166   0.7808915956   0.3474491885
C    2.2297434773   0.5409021239   0.8491670338
C    2.2037693754  -1.4369173091  -0.4925678486
C   -0.5026298737   1.5304146941  -0.8098528759
C   -1.5158035179   1.2954693733   1.3157551607
C    3.6053085439   0.6338354561   0.7123458832
C    3.5806768384  -1.3581335769  -0.6482952911
C   -1.1272725426   2.7419005398  -1.0161785372
C   -2.1619728989   2.5112817686   1.1364507784
C   -2.9076735420  -2.0214027384   0.6469980982
C    4.2582959257  -0.3222790265  -0.0402446624
C   -1.9674826572   3.2356840112  -0.0284225460
C   -4.0547296343  -0.9365049370  -0.6997326938
H   -0.4350952523  -1.4027149608  -1.4650507345
H   -0.3572844840  -2.6013163239  -0.1780926263
H    1.7208228888   1.3017406857   1.4292638934
H    1.6922469656  -2.2585492548  -0.9750165948
H   -1.6916369517   0.7387848966   2.2259773059
H    0.2522316290  -0.5446562757   2.4544512152
H    4.1558133333   1.4397735730   1.1796560283
H    4.1127121844  -2.0953147630  -1.2352331705
H   -0.9635758335   3.2857773650  -1.9375698185
H   -2.8203672734   2.8862363151   1.9086367016
H   -2.5435644763  -2.6291258008   1.4596364235
H   -2.4680729170   4.1833120440  -0.1765471292
H   -4.9033822807  -0.4788094361  -1.1842122900
*