! 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   -2.4664144215   0.1680967888  -2.5595877358
F   -1.8483559827  -1.4566141937  -1.2902857293
F   -3.8786416771  -1.3376164714  -1.9762172080
O    4.5330384024  -0.1932486161  -0.2330375639
O   -0.2211235307   1.0509843910  -0.6889689794
N   -0.1359823732  -0.2863695524   1.1601191950
C    4.3685122488   0.8722203264  -1.1746388643
C   -2.2203552909   0.6840095715   0.5320024345
C    1.2036028192  -0.6891181723   1.2224672009
C    3.5079579920  -0.6209564360   0.5259888876
C   -3.2119640023   0.2017772865  -0.3250303535
C    2.1987599241  -0.1595672076   0.4002727856
C   -0.7563765739   0.4978394950   0.2516920358
C    4.3495169232   2.2168125070  -0.4699060696
C    5.5241798184   0.7565958635  -2.1462679389
C    1.5162052053  -1.6635900702   2.1672111786
C    3.8225248464  -1.5990853261   1.4700545761
C   -2.5835761006   1.4219170239   1.6506784815
C   -4.5470545099   0.4660784523  -0.0521666645
C    2.8235562514  -2.1074714225   2.2789590823
C   -2.8517586920  -0.6042831285  -1.5382520926
C   -3.9182953646   1.6957750728   1.9112942706
C   -4.8988483038   1.2164704615   1.0600616509
H    3.4365854624   0.7294362421  -1.7320994433
H    1.9427489609   0.5941431841  -0.3244798855
H   -0.7354429827  -0.7145460685   1.8504468981
H    4.1991067362   3.0150915389  -1.1976075604
H    3.5484220228   2.2949672948   0.2660252164
H    5.2961503383   2.4014860076   0.0411852181
H    6.4842794942   0.8745566361  -1.6408761030
H    5.4482207602   1.5350136996  -2.9055262457
H    5.5189113311  -0.2063197671  -2.6580805126
H    0.7446441574  -2.0744218922   2.8067428032
H    4.8416463436  -1.9528031669   1.5586402084
H   -1.8184193526   1.8010852824   2.3159423809
H   -5.3287813459   0.0906687579  -0.6977131105
H    3.0654015699  -2.8669762136   3.0108923099
H   -4.1871026189   2.2812482678   2.7800363913
H   -5.9423803467   1.4186208527   1.2589471618
*