! 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  -1.5487177242   0.7962721759  -2.9014159165
Cl  -4.2089475036   4.6618401543  -0.3533456263
F    3.4460740816   0.5408588061   1.1361406849
F    2.7012802688  -1.1350696587   2.2735266791
F    4.1872152975  -1.1268435232  -0.9040537866
F    3.4429716542  -2.8454968986   0.2196042776
O    1.7741831932  -0.6813118320   0.2951309063
N   -0.4930585842  -2.4529650940   0.7020474459
N   -0.2096918771  -3.1715065499  -0.3838461055
N    0.6914214715  -4.1137298310   1.4347389444
C   -0.5073579079  -0.0957852919  -0.0958220878
C   -1.2546676001  -1.2331928833   0.6121017883
C    0.7886795724   0.3162528818   0.5951016916
C   -1.4307431399   1.0940744993  -0.1955543831
C   -1.9463406151   1.5657001132  -1.4012861852
C   -1.8167862421   1.7703102236   0.9613078641
C    2.9025115848  -0.6962907909   1.0024839951
C   -2.7977511308   2.6596683135  -1.4623066814
C   -2.6640588733   2.8633878323   0.9340888144
C    0.0543445697  -3.0208466589   1.7779571352
C   -3.1481358781   3.2997555408  -0.2875431332
C    3.9430507050  -1.5978413271   0.3388528201
C    0.5012684004  -4.1569976507   0.1019291561
H   -0.2482146928  -0.4335260886  -1.1007118995
H   -1.5248319421  -0.9452072892   1.6281531963
H   -2.1814092997  -1.4468071169   0.0790802204
H    1.1221347189   1.2787510467   0.2031547060
H    0.6476577250   0.4175015896   1.6748164016
H   -1.4497847513   1.4373759331   1.9243505447
H   -3.1792917220   3.0027556158  -2.4140069126
H   -2.9397563281   3.3620211292   1.8527262584
H   -0.0479426239  -2.6159872227   2.7725641490
H    4.8743022528  -1.6302587420   0.9065408221
H    0.8923445770  -4.9419676750  -0.5266250387
*