! 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 "WATER"
end
*xyz 0 1
F    2.7721015216   2.4308255154  -2.9171960682
F    2.5320706748   0.2892758263  -3.2665210564
F   -3.9847141822   1.6332863064  -1.0971600719
F   -1.3050981073   2.0844806590   2.6931162599
F   -2.9760988030   3.1649173034   0.8785828582
O    0.2550603891  -0.6993106640  -1.3442851605
N    0.8047994815  -1.7827561297   0.5647647313
N    3.8141746993   1.1755451526   0.6765327278
N    3.6444743594   1.6864721710  -0.5388844057
C   -1.5980300979  -2.2430186911   0.5336899217
C   -0.2717838916  -2.6904922848   0.5394917112
C    2.1278045688   0.0712436093  -0.1566415378
C   -1.9450808663  -0.8095054957   0.6213068545
C    2.6287646079   1.0326473401  -1.0577896715
C    0.9902794925  -0.8236336876  -0.3762702353
C    2.9330891738   0.2119040761   0.9568000929
C   -2.6180423804  -3.1905479084   0.4707471299
C    0.0049720860  -4.0526925544   0.5326337489
C   -1.4314211689  -0.0190119231   1.6467256996
C   -2.8157137438  -0.2515328631  -0.3100244471
C   -2.3404891039  -4.5483349883   0.4571401599
C    2.1630298240   1.3146216388  -2.4435862190
C   -1.0233720557  -4.9807706359   0.5040891214
C    4.8400333074   1.6891741597   1.5590955630
C   -3.1548887644   1.0802423065  -0.2105317981
C   -1.7834557036   1.3109367904   1.7166128901
C   -2.6436228220   1.8779350367   0.7949714441
H    1.5534927304  -1.9841140559   1.2099283667
H    2.9325848959  -0.2860223333   1.9133730081
H   -3.6476879372  -2.8559773945   0.4633347018
H    1.0357491485  -4.3834591962   0.5379751943
H   -0.7746697934  -0.4301963563   2.4010279966
H   -3.2189052730  -0.8417756009  -1.1222818490
H    1.0868179126   1.4466719967  -2.5234468596
H   -3.1512265435  -5.2632570747   0.4218498826
H   -0.7927371737  -6.0374736577   0.5024380980
H    4.3943396308   2.2280494125   2.3920114230
H    5.4455869918   0.8721573667   1.9422097702
H    5.4736781277   2.3650497770   0.9951501350
*