! 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   -2.1163663022  -1.6776030563   1.2298878877
F   -4.1590442349  -1.4067783796   1.8298652686
F   -3.7176386199  -2.1261543589  -0.1409931127
O    4.8829563258   0.3041755854   0.3375782872
O   -1.2609018331  -1.2283612592  -1.5785036809
N    0.1516929254   0.1231086677  -0.3991776173
C    4.8147861864   1.5554509193   1.0290624681
C   -2.1830083062   0.6254220517  -0.4282014162
C    1.4108001554  -0.4476671646  -0.6244398534
C    3.7852466075  -0.2611084651  -0.1950867582
C   -3.2761828482   0.1492540156   0.3013468916
C    2.4926546372   0.2253426443  -0.0457986240
C   -1.0576183347  -0.2710461434  -0.8579561929
C    6.0816145122   1.6449291774   1.8548691794
C    4.6922074301   2.7096743209   0.0498899751
C    1.6209893773  -1.6094938924  -1.3601920126
C    3.9996801132  -1.4291740986  -0.9313275303
C   -2.1703356746   1.9483978184  -0.8512926655
C   -4.3380037460   0.9971065941   0.5841533977
C    2.9222984089  -2.0796303753  -1.4966720075
C   -3.3167128951  -1.2660783891   0.8008301832
C   -3.2386473771   2.7892135760  -0.5740390928
C   -4.3231719508   2.3117532509   0.1406965570
H    3.9578524257   1.5506523829   1.7116900870
H    2.2967820765   1.1277732736   0.5197067217
H    0.1498889746   0.9177618489   0.2235707474
H    6.0878142172   2.5728748399   2.4266691096
H    6.1545831151   0.8188285883   2.5631954064
H    6.9708095146   1.6367907115   1.2215952839
H    3.7949938202   2.6474883118  -0.5671195103
H    5.5571315159   2.7480086945  -0.6149460681
H    4.6457001112   3.6537141147   0.5940057964
H    0.8087844493  -2.1486386629  -1.8166319192
H    5.0048213098  -1.8139147478  -1.0484080825
H   -1.3291516592   2.3237409289  -1.4205255111
H   -5.1869295927   0.6481683268   1.1555411320
H    3.0915305095  -2.9852606713  -2.0648348933
H   -3.2196269014   3.8139639664  -0.9199276361
H   -5.1605568386   2.9589284195   0.3635120848
*