! 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  -2.3654599588  -0.2940395463  -2.6236758520
Cl  -3.6350064959   3.6448862604   0.7439130251
F    3.7291351639  -1.1502788399   0.0787873021
F    4.2767969955   0.4947001583  -1.2061844945
F    5.2791188323   0.6518880769   1.3272198130
F    3.2540029223   0.6198111008   2.1477457240
O    2.2210760115   0.4424016042  -0.3384799703
N   -0.9041677911  -2.3365429842   0.6190677601
N   -1.5711312144  -3.1349295963  -0.2144362793
N   -2.7727029111  -2.7565975893   1.6356866648
C    0.1804337505  -0.7426559935  -0.8880680922
C    0.3638781935  -1.7625050855   0.2395028670
C    1.5170985989  -0.2265416827  -1.3968848932
C   -0.7820432236   0.3539974122  -0.4979875439
C   -1.9488573667   0.6219914571  -1.2116326647
C   -0.5447573940   1.1421632040   0.6287931591
C    3.5095139466   0.1719363436  -0.1346949787
C   -2.8326303803   1.6258630231  -0.8408311658
C   -1.4038355480   2.1525062708   1.0220506891
C   -1.6335187599  -2.1114155252   1.7134378252
C   -2.5459315101   2.3872546329   0.2762380862
C    3.9931996044   0.9744432789   1.0716745593
C   -2.6825812783  -3.3633799743   0.4366793756
H   -0.2314776499  -1.2907988612  -1.7372374361
H    1.0222529684  -2.5672159789  -0.0889901144
H    0.8039840686  -1.3222475482   1.1332873657
H    2.0938148114  -1.0620218252  -1.7969337633
H    1.3641130655   0.4887096591  -2.2054004689
H    0.3378517901   0.9730491520   1.2291980343
H   -3.7294283562   1.8050688474  -1.4169182577
H   -1.1807978349   2.7445360581   1.8984258476
H   -1.2965554356  -1.4883185631   2.5270030663
H    3.9103072723   2.0485140878   0.9113026001
H   -3.4574586210  -3.9978411018   0.0348217350
*