! 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   -3.5390432285  -0.8973716969   2.3960316907
F   -2.3461128434  -1.9709769262   0.9714991897
F   -1.5245236934  -0.2690213054   2.0032694854
O    4.5329169253   0.0057562843   0.0622838448
O   -0.0838948352   1.7003934167  -0.1320444764
N   -0.2478229557  -0.4981538362  -0.7259623429
C    4.4523943388   1.3832889770   0.4419624908
C   -2.2413320168   0.8165598619  -0.5230993539
C    1.0776125769  -0.9508482442  -0.7048198908
C    3.4380890731  -0.6795018890  -0.3137011917
C   -3.1295617474   0.1590262127   0.3318656438
C    2.1492619462  -0.1501400841  -0.3088327647
C   -0.7449680039   0.7213850841  -0.4206574073
C    5.7060634005   1.6732141295   1.2408859538
C    4.3404265159   2.2786347024  -0.7799858738
C    1.2924556304  -2.2684332409  -1.1017961405
C    3.6562961317  -1.9988041050  -0.7118782688
C   -2.7414248179   1.6684653505  -1.5009113617
C   -4.4991155046   0.3383078418   0.1747952015
C    2.5812766316  -2.7769343565  -1.0987875760
C   -2.6358540225  -0.7411106957   1.4266006005
C   -4.1074317354   1.8374198452  -1.6581591777
C   -4.9863675401   1.1688498750  -0.8214222591
H    3.5863331481   1.5327181232   1.0957926583
H    1.9670034669   0.8660651730  -0.0052554726
H   -0.9161920145  -1.1793610585  -1.0538630899
H    5.6928300133   2.7060064854   1.5894267853
H    5.7776942128   1.0289298184   2.1180450082
H    6.6047590065   1.5358736782   0.6365110790
H    3.4609003221   2.0602087806  -1.3871492525
H    5.2215905517   2.1795391479  -1.4166767962
H    4.2665896549   3.3214623216  -0.4691511475
H    0.4621025734  -2.8926402683  -1.4088681685
H    4.6613323644  -2.4010882638  -0.7106117163
H   -2.0559386498   2.1945211976  -2.1527262169
H   -5.1996507167  -0.1599311785   0.8306059009
H    2.7486950999  -3.8015380621  -1.4044655291
H   -4.4824294517   2.4952596467  -2.4306898664
H   -6.0541219785   1.2991200593  -0.9336282827
*