! 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   -2.9124328738  -1.9036517761  -0.0097371500
F   -3.7825680370  -0.3578657218   1.2052581120
F   -4.0424202442  -0.3196887060  -0.9257103024
O    3.2059705292   1.4397735634  -0.1655196897
N    1.6950763282  -0.2506661958   0.0573687615
N    3.9501599219  -0.6791405218   0.1678528253
C    0.4937103079   0.4382005087  -0.0686089636
C   -1.9181568266   0.2395458016  -0.0903325657
C   -0.6677150575  -0.3387803848   0.0223801374
C    0.3629380263   1.8121523160  -0.2744642650
C   -2.0504567659   1.6092957287  -0.2930391853
C    2.9754453484   0.2488543703   0.0084820663
C   -0.9020028899   2.3737375218  -0.3825125949
C   -3.1563560543  -0.5908563789   0.0420140797
C    5.3408078438  -0.2818181292   0.1434993173
C    3.6787137935  -2.0864003542   0.3798504401
H   -0.5701078028  -1.4057281956   0.1817038614
H    1.5807966249  -1.2402797962   0.2051609988
H    1.2266223888   2.4497819435  -0.3524300904
H   -3.0206509342   2.0793119892  -0.3827035606
H   -0.9836660108   3.4406638404  -0.5423516205
H    5.8266734258  -0.5151296907   1.0930904869
H    5.4321797172   0.7850143657  -0.0307246501
H    5.8763831735  -0.8035993659  -0.6519186883
H    3.1511891097  -2.5419001856  -0.4619489999
H    3.1127755024  -2.2691685773   1.2967628640
H    4.6236327628  -2.6137473696   0.4821503443
*