! 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  -1.5448318491   0.1837906899  -2.9414128010
Cl  -2.6245408408   3.7511488700   0.8864895698
F    3.9392546831   0.3852798224  -1.3500260124
F    2.2618234274   1.5987857154  -0.7382817797
F    4.5272768165  -0.1531283957   1.2850268799
F    2.8274123265   1.0698994328   1.9086974852
O    2.2833515482  -0.5703339298  -0.2026534881
N   -1.2603931112  -2.7633161322   0.6709527864
N   -1.6792059443  -2.4466760129   1.8971252213
N   -3.3428906659  -3.3690660540   0.7191288529
C    0.0948884586  -1.3550567616  -0.8329147511
C    0.0816266978  -2.4612998643   0.2244220270
C    1.5144383448  -1.0708750013  -1.3043694915
C   -0.6030639478  -0.0893633460  -0.4010296553
C   -1.3600753428   0.6752778814  -1.2868268019
C   -0.4794072103   0.3992403645   0.8977894267
C    3.0122068676   0.5313331352  -0.3666460236
C   -1.9875559337   1.8524458457  -0.9088010161
C   -1.0884876234   1.5721467822   1.3072604452
C   -2.2622514331  -3.3087268399  -0.0216648561
C   -1.8437583694   2.2887847502   0.3956408819
C    3.7399437495   0.8861159791   0.9291900282
C   -2.9308644255  -2.8280111622   1.8814644091
H   -0.4106813101  -1.7584818288  -1.7139110955
H    0.5224301498  -3.3627175170  -0.2026822276
H    0.6618043222  -2.2122456894   1.1097885368
H    1.9891823987  -1.9886362977  -1.6566624051
H    1.4895331836  -0.3698128924  -2.1398930029
H    0.0970447100  -0.1485774274   1.6290097445
H   -2.5748533755   2.4149797030  -1.6211973422
H   -0.9731083979   1.9162731602   2.3255512322
H   -2.1599680021  -3.6497309982  -1.0402227673
H    4.3480300456   1.7859272810   0.8228809465
H   -3.5704921301  -2.7152063640   2.7429778194
*