! 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  -1.1647523586   1.1607376619  -2.8047865146
Cl  -4.3545092993   4.5855552019  -0.2323621089
F    3.4153610420   0.4983209470   0.4621140021
F    2.7408068524  -0.7028938082   2.1226088091
F    4.9124012180  -1.7038790897   0.8174043025
F    3.7684342435  -1.8199736799  -1.0396931148
O    1.6030069418  -0.7788343243   0.2023055763
N   -0.5190543975  -2.5418559850   0.7674430054
N   -0.3242841717  -3.2265285180  -0.3582734584
N    0.8795673471  -4.1059848375   1.3099769595
C   -0.7111077436  -0.2232807976  -0.0704309755
C   -1.3198916515  -1.3422359354   0.7819193155
C    0.6470275912   0.2668684703   0.4196690391
C   -1.6375595434   0.9679972153  -0.1305586602
C   -1.8978948076   1.6557206054  -1.3156816683
C   -2.2358917512   1.4635193342   1.0260617577
C    2.8074363313  -0.6730480927   0.7651998273
C   -2.7309904616   2.7631175679  -1.3605867624
C   -3.0692760301   2.5686239284   1.0153367099
C    0.2065066092  -3.0703437908   1.7531050798
C   -3.3139854025   3.2079008244  -0.1873497023
C    3.6703166242  -1.8494381171   0.3068507180
C    0.5170169649  -4.1572403018   0.0126796632
H   -0.5818029337  -0.6202955308  -1.0791759957
H   -1.4264294425  -1.0491101755   1.8254449760
H   -2.3138070482  -1.5847126888   0.4056468350
H    0.9414671110   1.1520616855  -0.1478269168
H    0.5951435121   0.5427280061   1.4767446623
H   -2.0526279553   0.9833391744   1.9783481862
H   -2.9174464440   3.2695142619  -2.2973308084
H   -3.5158659081   2.9202392410   1.9347165006
H    0.2075146677  -2.6806430015   2.7590433717
H    3.2573659925  -2.8085993438   0.6242680357
H    0.8812334186  -4.9048538987  -0.6747439211
*