! 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    1.2206583152   0.4441588836  -2.5163263455
F    0.3140696218   1.5675419019  -0.8840182719
F   -1.8143830632   2.2307653142   2.5685202323
F   -3.8145443758   1.9041452051  -1.6304062920
F   -3.2002090744   3.3549188812   0.5531429486
O    2.6282647273  -2.4376017428   0.5840212676
N    0.7017027490  -1.3351184301   0.0808430057
N    4.4757441568   1.2289771820   0.2048261023
N    3.6105398015   1.8299180677  -0.5982665514
C   -1.6028844128  -1.9928094624   0.1942657483
C   -0.2485034082  -2.3615546846   0.1211615620
C    2.8007030851  -0.1680106327   0.0511372547
C   -2.0150175138  -0.5722634971   0.2926247102
C    2.5865005673   1.0093372090  -0.7040354193
C    2.0453457396  -1.4172014530   0.2580583685
C    4.0464601921   0.0311538383   0.6105316275
C   -2.5834612773  -2.9772860030   0.1504383967
C    0.0838219743  -3.7140076752   0.0313796143
C   -2.7351427756   0.0095037479  -0.7468848715
C   -1.6979088098   0.1791815805   1.4228423912
C   -2.2506641224  -4.3189434103   0.0611281778
C    1.4749566595   1.4138287598  -1.5983140406
C   -0.9131787486  -4.6764964564   0.0066489059
C    5.7274887316   1.8655488520   0.5517686314
C   -2.1010750124   1.4953871513   1.4948127372
C   -3.1276960910   1.3270938783  -0.6448668202
C   -2.8167067117   2.0840169360   0.4688172575
H    0.3209683947  -0.4095676399  -0.0382559836
H    4.6294243365  -0.5946859713   1.2670530706
H   -3.6237626871  -2.6813060432   0.2024408404
H    1.1129556273  -4.0258666263  -0.0335447449
H   -2.9817599350  -0.5531562160  -1.6377168909
H   -1.1520086245  -0.2548614764   2.2508193444
H    1.6843587366   2.3521530034  -2.1116901618
H   -3.0264077053  -5.0722613077   0.0371963999
H   -0.6310360779  -5.7188612156  -0.0647421734
H    5.7826846039   2.0327386757   1.6252562009
H    6.5649912777   1.2452342675   0.2402936926
H    5.7810015080   2.8204007670   0.0389396354
*