! 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  -0.9525335349   0.7939283589  -2.8797584208
Cl  -3.0725416222   3.4625998381   1.2348205574
F    4.0779225496  -1.1653503520  -0.1751065084
F    2.8451392490  -0.0710773517  -1.5664496186
F    3.9915559301   0.9752250558   1.5785119822
F    2.7647877877   2.0718028762   0.1399353186
O    2.0357119504  -0.5381590189   0.4691027535
N   -1.6789398985  -2.8097057089   0.0339372700
N   -1.1779530727  -3.4885704237   1.0694658040
N   -3.3295648407  -2.9911055910   1.4307502302
C    0.0842304838  -1.2523639314  -0.8164631247
C   -0.8617079168  -2.4321155599  -1.0930755554
C    1.2392892425  -1.6690386554   0.0903306395
C   -0.6804045513  -0.0573477875  -0.3087363343
C   -1.1964152918   0.9120439172  -1.1658348785
C   -0.9532442029   0.1001830829   1.0486570537
C    3.1114474254  -0.2119276088  -0.2419905151
C   -1.9280462351   1.9978858653  -0.7083235101
C   -1.6869018514   1.1659649159   1.5383491292
C   -2.9594961988  -2.5138891029   0.2661735382
C   -2.1644559548   2.1137198947   0.6492763934
C    3.6993702874   1.1039035020   0.2656361527
C   -2.2023885741  -3.5728412039   1.8811364681
H    0.5072116597  -1.0158127716  -1.7931095856
H   -1.5351535707  -2.1665827020  -1.9066638443
H   -0.2944648882  -3.3046088096  -1.4184384503
H    0.8970334778  -2.1015285284   1.0280839187
H    1.8366056493  -2.4348489317  -0.4092954764
H   -0.5851779782  -0.6256192798   1.7620928562
H   -2.3045197124   2.7367837404  -1.4019433747
H   -1.8765770341   1.2518455576   2.5991578808
H   -3.5726100377  -1.9679257618  -0.4338925480
H    4.5981018190   1.3909878541  -0.2826320091
H   -2.1332688135  -4.0805477044   2.8308401973
*