! 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    3.7466127535   2.8212764772   0.2915087784
F    1.8185790551   2.6506823617  -0.7279896258
O    2.0296582543   0.0566464055  -2.6561053163
N    0.3940287938  -1.2831282682  -1.8873174337
N    2.7511978463  -0.7435691621   1.6705032040
N    3.1820215245   0.4784288057   1.3745877739
C   -2.7611693342   0.9734512756   0.1578455587
C   -1.2514593113   0.7075933153  -0.0619227893
C   -2.8588616278  -0.0112859474   1.3495739619
C   -0.6978180208   1.0817001631   1.3353184008
C   -1.8015045186   0.5909874878   2.3024205230
C   -1.2555512369  -0.7944320761  -0.1473278157
C   -2.2411924008  -1.2412168080   0.7400432695
C   -3.6913637508   0.7237574030  -1.0265558324
C   -0.5367751175  -1.7006933889  -0.9047201424
C   -2.5032349308  -2.5854259177   0.9011483841
C   -3.3231778223   1.6189957673  -2.2055512476
C   -5.1458981351   0.9476362962  -0.6249677677
C   -0.8097631533  -3.0640050758  -0.7567087008
C   -1.7759949651  -3.4986887502   0.1356478298
C    1.4835303289  -0.5018021958  -1.7131740290
C    2.0318574238  -0.3810882610  -0.3561606362
C    2.7635979845   0.7107783117   0.1504274241
C    2.0543369441  -1.2999034944   0.6733127654
C    3.0113907673   2.0184176685  -0.5175485739
C    3.0872800937  -1.3498501032   2.9390913068
H   -2.9156372437   2.0047671507   0.5005901971
H   -0.7657998904   1.2350225857  -0.8810033020
H   -3.8382700942  -0.1553889649   1.8037282248
H   -0.5609139858   2.1618261818   1.4011645975
H    0.2686711040   0.6240103159   1.5351161700
H   -1.4388586293  -0.1385656803   3.0274303232
H   -2.2340033513   1.4189465908   2.8667231525
H   -3.5895267480  -0.3172232554  -1.3518480406
H   -3.2705007698  -2.9316925685   1.5830237470
H   -3.3553734833   2.6758999713  -1.9278696188
H   -2.3218534410   1.4083102837  -2.5842440946
H   -4.0168679987   1.4784792694  -3.0369042021
H   -5.4594283893   0.2789143819   0.1783521592
H   -5.3103753795   1.9730709658  -0.2834943516
H   -5.8169980950   0.7732413786  -1.4682690552
H   -0.2622126955  -3.7815090483  -1.3554729157
H   -1.9754752165  -4.5586597125   0.2280524399
H    0.1260225566  -1.4312490639  -2.8518155378
H    1.6487274495  -2.2956044380   0.7531402302
H    3.5193865738   1.9315806645  -1.4760789886
H    2.1996321305  -1.7798180977   3.3964861064
H    3.8361561484  -2.1286608607   2.8076432810
H    3.4847123096  -0.5804061501   3.5930599842
*