! 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   -2.8295574783  -1.0860269063  -2.1961225742
F   -4.0260146525   0.6882964041  -2.3302181592
F   -1.9543543404   0.8412552897  -1.7903544944
O    4.0930471695  -0.7538037538  -0.5857191800
O   -0.6125893346  -1.2899391276  -0.2038892410
N   -0.1949058509   0.5956477488   1.0116751245
C    5.5192320515  -0.6749340469  -0.6855560984
C   -2.4450532560  -0.1831233157   0.8121133826
C    1.1941001859   0.7451577277   0.9216962380
C    3.3988367286   0.1273471819   0.1574706017
C   -3.4269262256  -0.0297964428  -0.1713772809
C    2.0218156665  -0.1121314648   0.2096376357
C   -0.9922787542  -0.3531279290   0.4707901779
C    6.1811976344  -1.2385773928   0.5592792887
C    5.8948070052  -1.4530084244  -1.9302550958
C    1.7443680481   1.8412083598   1.5946705986
C    3.9494381872   1.2173739582   0.8245709693
C   -2.8249887660  -0.2717588224   2.1450514916
C   -4.7650509992   0.0187570302   0.1921743725
C    3.1050645503   2.0606870640   1.5365489841
C   -3.0574898361   0.1000962496  -1.6210415884
C   -4.1651768081  -0.2319149829   2.5027507269
C   -5.1342654037  -0.0910588903   1.5253300242
H    5.8193257370   0.3692348286  -0.8273612674
H    1.6306095960  -0.9654068966  -0.3212389456
H   -0.6653070073   1.3349740622   1.5130626221
H    5.9185605540  -2.2888657201   0.6974188681
H    7.2656523113  -1.1736694835   0.4633726890
H    5.9026888400  -0.6984915666   1.4647769557
H    5.6013324032  -2.5010693516  -1.8486825389
H    6.9742049299  -1.4182398201  -2.0782597063
H    5.4248448560  -1.0312449227  -2.8193380121
H    1.1083608605   2.5138027279   2.1570399869
H    5.0087800783   1.4295512925   0.8052946868
H   -2.0712778438  -0.3950418140   2.9123437438
H   -5.5375671294   0.1452928398  -0.5535140183
H    3.5267479135   2.9098356430   2.0582453466
H   -4.4456198948  -0.3141856431   3.5441610917
H   -6.1819938738  -0.0589709467   1.7912501784
*