! 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  -0.7300248969   1.4460731225  -2.4954806361
Cl  -4.3166773934   4.6519617860  -0.1702246426
F    3.3899729784   0.4021782688   0.0944112149
F    2.9131001637  -0.6016467250   1.9443482673
F    4.8728500848  -1.8104462514   0.5103638731
F    3.5249217460  -2.0467444606  -1.1924773245
O    1.5350357819  -0.8350244124   0.2009568913
N   -0.6005176985  -2.5535063262   0.8844662120
N   -0.5572492045  -3.2451703756  -0.2534774403
N    0.7902200251  -4.1689783273   1.2758016717
C   -0.7766369074  -0.2325643572   0.0676740542
C   -1.3471360408  -1.3225543127   0.9797702172
C    0.6172090632   0.2296157365   0.4839388690
C   -1.6775554488   0.9786628371   0.0106136800
C   -1.7141545955   1.8039686200  -1.1146210879
C   -2.4851651151   1.3486690436   1.0827267159
C    2.8030454555  -0.7125011433   0.5948482438
C   -2.5159166160   2.9312971168  -1.1840072205
C   -3.2997651952   2.4684656914   1.0448331538
C    0.2093745135  -3.1081626611   1.7859301731
C   -3.3079828670   3.2515628608  -0.0950913752
C    3.5773402614  -1.9553872348   0.1541795521
C    0.2852888356  -4.2063803749   0.0267997474
H   -0.7108309533  -0.6559058174  -0.9382525134
H   -1.3285311657  -1.0259487928   2.0280204418
H   -2.3839575962  -1.5259377489   0.7104994125
H    0.9033794091   1.1197251681  -0.0790402766
H    0.6277170945   0.4849247180   1.5472093963
H   -2.4946199884   0.7550442483   1.9867450720
H   -2.5208269543   3.5455379082  -2.0735609486
H   -3.9162737642   2.7187773426   1.8968659090
H    0.3373531153  -2.7174036316   2.7832310020
H    3.1778378281  -2.8682953350   0.5992975248
H    0.5419120623  -4.9665951094  -0.6945991558
*