! 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   -3.2842079899   2.9043075281  -0.1871277729
F   -1.3580177314   2.0719783836   0.2632243657
F   -2.1292141314   1.9930001859  -1.7472144299
O    4.4957604035  -0.5426510715  -0.3250022332
O   -0.3405954700  -0.3260984717  -1.1814033855
N   -0.1727125175  -0.9133916206   1.0188576818
C    4.2075671763  -0.0954826067  -1.6544828204
C   -2.3374951258  -0.5855423450   0.0668196001
C    1.2082022000  -0.9940298767   1.2373227126
C    3.5104421570  -0.7889533509   0.5574929480
C   -3.1123503195   0.5573059471  -0.1515769628
C    2.1531968853  -0.7158527688   0.2497144229
C   -0.8460005150  -0.5809205713  -0.1054393882
C    3.8323770471   1.3762645534  -1.6663680598
C    5.4573533935  -0.3640167996  -2.4675484728
C    1.6174403319  -1.3516136015   2.5201168666
C    3.9220352544  -1.1465526697   1.8418890709
C   -2.9645839073  -1.7854622065   0.3763648826
C   -4.4950914404   0.4787442795  -0.0664485476
C    2.9708309217  -1.4253903167   2.8057061882
C   -2.4698703589   1.8795090137  -0.4587094370
C   -4.3478763738  -1.8604590200   0.4521472785
C   -5.1119716797  -0.7286842302   0.2277857287
H    3.3904503916  -0.6938377534  -2.0721379948
H    1.8226867016  -0.4442110906  -0.7377538727
H   -0.7376194082  -1.0700739779   1.8410921046
H    4.6523857776   1.9896263687  -1.2889975446
H    3.6175039977   1.6938263130  -2.6872128422
H    2.9471766979   1.5929546643  -1.0679172321
H    6.3084367939   0.2063630023  -2.0917536472
H    5.2921701249  -0.0733385322  -3.5049616658
H    5.7190360963  -1.4225544844  -2.4582197040
H    0.8857973286  -1.5653051855   3.2896786716
H    4.9777858956  -1.2033736274   2.0733143493
H   -2.3709937648  -2.6754351881   0.5425707791
H   -5.1098918083   1.3542053029  -0.2219591118
H    3.2880008689  -1.7033032629   3.8022949095
H   -4.8224656823  -2.8039924004   0.6854055075
H   -6.1907212734  -0.7750340199   0.2868976252
*