! 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
Cl  -1.2858447047   0.9428716611  -3.0946385476
Cl  -2.6527684774   3.5409438892   1.3697929075
F    2.3630752628  -0.1054074378   1.4871397565
F    3.8975627478  -1.2148241195   0.4560386385
F    4.5309793080   1.3848595801   0.9982779805
F    2.8192395462   2.0675966155  -0.1757612813
O    2.1334850522  -0.4914910389  -0.7047038567
N   -1.5981709726  -2.8005682670  -0.1079207095
N   -0.8761665102  -3.4547810876   0.8044894085
N   -2.9335149075  -3.0472897711   1.5842440462
C   -0.0488278724  -1.2232741812  -1.2651781286
C   -1.0311366899  -2.3964680874  -1.3706504769
C    1.2631673411  -1.6277820185  -0.6071498028
C   -0.6917351569  -0.0223739929  -0.6187157248
C   -1.2746309651   1.0029454416  -1.3604483020
C   -0.7654288141   0.0911436630   0.7678833187
C    2.9816988793  -0.2245199474   0.2864130370
C   -1.8769840426   2.1016186440  -0.7661333649
C   -1.3647200890   1.1693660155   1.3935808820
C   -2.8195464583  -2.5584496080   0.3724925696
C   -1.9109979827   2.1745423707   0.6145927819
C    3.7221778322   1.0725303347  -0.0386115526
C   -1.7174567867  -3.5816479054   1.7999932263
H    0.1971622177  -0.9812968261  -2.3011190340
H   -1.8576465948  -2.1172388861  -2.0238059875
H   -0.5415203715  -3.2594296145  -1.8230150004
H    1.1373291793  -1.9544131521   0.4242338447
H    1.7066571537  -2.4575897272  -1.1613769958
H   -0.3448992866  -0.6813388088   1.3968904168
H   -2.3098717577   2.8845656014  -1.3729558918
H   -1.3978922567   1.2195388643   2.4726396115
H   -3.5794437207  -2.0383518013  -0.1896733310
H    4.3167988590   0.9913280700  -0.9490595333
H   -1.4433253747  -4.0828492439   2.7148231247
*