! 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    1.9287293090   1.6066244163  -2.1071937498
F    2.5957319442  -0.3740182095  -2.7201150938
O    0.9132587025  -0.7369394650   1.7647133867
N    0.5868749274  -0.7990583135  -0.4759191982
N    4.7560617826   0.4790072009   0.9352804800
N    4.6393319032   0.7965885047  -0.3452147919
C   -3.2427555331   1.0008376093   0.8960189767
C   -1.8523640588   0.4165844484   1.2391731033
C   -3.9511836745  -0.3695189001   0.9953077135
C   -2.1545316929  -0.2332536869   2.6124435302
C   -3.5970934341  -0.7697059774   2.4453613225
C   -1.7696408121  -0.7097109532   0.2418337035
C   -3.0751280132  -1.1974841514   0.0953531513
C   -3.3823351643   1.7568904433  -0.4221836417
C   -0.7388869044  -1.2740488897  -0.4911105518
C   -3.3744923546  -2.2370604044  -0.7592027361
C   -2.4303609625   2.9479614707  -0.4720376689
C   -4.8219090527   2.2236383771  -0.6179982183
C   -1.0420317362  -2.3204671106  -1.3720799805
C   -2.3354965743  -2.7926234352  -1.5055050031
C    1.3276622690  -0.5575009148   0.6314256652
C    2.7018870555  -0.0652735899   0.4145186953
C    3.4087538903   0.4754619507  -0.6866603702
C    3.6288897022  -0.0326446071   1.4367504379
C    2.9998800043   0.7700613667  -2.0816599191
C    5.9951777607   0.7099425659   1.6435519936
H   -3.5774606165   1.6651352742   1.7034592407
H   -1.0182229371   1.1135465911   1.2535893830
H   -5.0161359989  -0.4039044017   0.7684158208
H   -2.1034721614   0.5220255082   3.3987507289
H   -1.4353566666  -1.0102809886   2.8611506559
H   -3.6731289141  -1.8459768359   2.6040897841
H   -4.2846852418  -0.2911088064   3.1449920291
H   -3.1276222736   1.0875499290  -1.2511270922
H   -4.3888316265  -2.6001158556  -0.8706333620
H   -1.3839803475   2.6398250020  -0.4486090169
H   -2.5737415771   3.5272744049  -1.3862959373
H   -2.5948765447   3.6229548398   0.3721106211
H   -5.5263116292   1.3905816647  -0.6399062628
H   -5.1312522044   2.8951616199   0.1873924672
H   -4.9360973181   2.7670894623  -1.5579136042
H   -0.2484089580  -2.7625185353  -1.9633896537
H   -2.5364097319  -3.5970778970  -2.2013816815
H    1.0730262834  -0.8739212778  -1.3551550602
H    3.5483723183  -0.3412688063   2.4665780255
H    3.8142353852   1.2106002512  -2.6567842655
H    5.8455534660   1.4313079019   2.4442694499
H    6.3693885769  -0.2207508649   2.0642029413
H    6.7245080754   1.1024388840   0.9423383270
*