! 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  -1.0304612520   0.8949753833  -2.8324877882
Cl  -3.3808165766   3.4637597433   1.2215727600
F    4.1718501003  -1.1838006976   0.4950558176
F    3.3980686763  -0.4195225347  -1.3701130277
F    4.0984636103   1.3355192368   1.5859782160
F    3.2881949397   2.1191282376  -0.2858475792
O    2.1530267152  -0.2358465476   0.4779041761
N   -1.5553063869  -2.6044894996  -0.0228768224
N   -1.0953914446  -3.2474845355   1.0525602945
N   -3.2896088291  -2.8575889195   1.2553677333
C    0.2018951854  -0.9838320930  -0.7314957371
C   -0.6795373258  -2.1901054876  -1.0907711183
C    1.3227508292  -1.3789651946   0.2199940485
C   -0.6496585811   0.1606197596  -0.2397731536
C   -1.2721972155   1.0441535574  -1.1204880469
C   -0.9174482437   0.3397162106   1.1154104926
C    3.3827233846  -0.2076467863  -0.0267359265
C   -2.1086522123   2.0621785704  -0.6892863342
C   -1.7495594987   1.3435444590   1.5800272035
C   -2.8619642438  -2.3714122196   0.1148773141
C   -2.3387834486   2.2011249815   0.6676616782
C    4.0476636872   1.1387996032   0.2498462049
C   -2.1696719427  -3.3795846234   1.7898084806
H    0.6762446568  -0.6971443032  -1.6726479315
H   -1.3072575850  -1.9397439167  -1.9445366972
H   -0.0626267078  -3.0390404447  -1.3864457120
H    0.9633382329  -1.7256306889   1.1866454977
H    1.8886545166  -2.2041125772  -0.2169255271
H   -0.4714374808  -0.3192888589   1.8482465169
H   -2.5711860702   2.7309209380  -1.4018440882
H   -1.9313432935   1.4489910445   2.6404949483
H   -3.4506625453  -1.8631830597  -0.6330936091
H    5.0555774492   1.1894837219  -0.1649988304
H   -2.1446433530  -3.8758957696   2.7475970488
*