! 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    5.7248105995  -1.0977682491  -1.0796118599
F    4.6213516818   0.0445011762  -2.5720698583
O    1.6693855654  -1.9293657557  -0.8769145358
N    0.1901300198  -0.5053911403   0.1081936806
N    3.7044512068   1.5774209523   1.0891802786
N    4.5291835165   1.0132638272   0.2205640318
C   -3.7727265463   1.2134527321   0.5628474442
C   -2.3795830555   0.8169172592   1.1041767288
C   -4.4094672426  -0.1431731546   0.9415944839
C   -2.7274346122   0.4829890134   2.5755802606
C   -4.1243229042  -0.1773620519   2.4626827385
C   -2.1760197010  -0.5061330089   0.4066995870
C   -3.4340976161  -1.0997505336   0.3108822400
C   -3.8553727322   1.6382955017  -0.9001719883
C   -1.0372873115  -1.1631712104  -0.0414005817
C   -3.5943243275  -2.3579319705  -0.2338465818
C   -3.0365679178   2.9022171134  -1.1449701923
C   -5.3069417396   1.8636670392  -1.3124414287
C   -1.1950305600  -2.4343571796  -0.6127316330
C   -2.4548139040  -3.0089625473  -0.7003096121
C    1.4329467084  -0.8969003156  -0.2706406123
C    2.5096584712   0.0307192681   0.1151435125
C    3.8323590764   0.0694025045  -0.3756647452
C    2.4857652818   1.0303134925   1.0697770325
C    4.4707149674  -0.7306353685  -1.4578261654
C    4.1599539568   2.6541282348   1.9406230767
H   -4.1979191628   2.0189433743   1.1755653651
H   -1.5919669269   1.5641987840   0.9996481879
H   -5.4559052226  -0.2983159891   0.6821286865
H   -2.7694770783   1.3994567207   3.1665019430
H   -1.9833529660  -0.1662202037   3.0378549753
H   -4.1511000853  -1.1911506848   2.8629259697
H   -4.8789950779   0.4013231681   2.9980280079
H   -3.4448265724   0.8422927028  -1.5305688868
H   -4.5688475217  -2.8246194206  -0.3079371960
H   -1.9735204242   2.7520448560  -0.9495483413
H   -3.1268998730   3.2343233695  -2.1809827359
H   -3.3759097295   3.7235134291  -0.5078506356
H   -5.9089535597   0.9595332403  -1.2104970723
H   -5.7751122010   2.6418434634  -0.7035496253
H   -5.3750239612   2.1799651752  -2.3550960300
H   -0.3458272882  -2.9768203853  -0.9937828595
H   -2.5439128115  -3.9897779469  -1.1503829043
H    0.1173088684   0.4168727934   0.5062282679
H    1.7118768705   1.3677859922   1.7419534999
H    3.9116605586  -1.6215494962  -1.7309631504
H    5.1997242179   2.8574071976   1.7056566169
H    3.5719202654   3.5522738392   1.7641545394
H    4.0793722172   2.3714663762   2.9881723615
*