! 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  -4.4590615117   2.0352996384  -0.3849365487
F    0.1214519126  -1.2328996380   1.7496626464
F   -1.9381049056  -1.8073927410   1.9406260011
F   -0.7192861662  -2.6857047486   0.4074029292
O    1.1719406860   1.4808494672   0.3928302054
N    2.8583232547  -1.3683145585  -1.0641009882
N    0.6778075179  -0.7573511132  -1.1544046864
N    3.8682602609  -3.0590922753  -2.0529928935
C    1.8190481541  -0.5073102835  -0.6903724075
C    2.2300394721   0.6001563771   0.2467993817
C    1.1897639553   2.2458804836   1.5790713026
C   -0.4974276738  -0.0630450640  -0.9169045286
C   -0.0683076097   3.0865466022   1.6279676828
C   -1.3723537657  -0.4427492830   0.1070101770
C   -0.8972253307   0.9398698208  -1.7979635306
C   -2.5889561340   0.2079315175   0.2704346897
C    4.1734015512  -1.3434483147  -0.6426402434
C   -0.1209367441   3.9414121085   2.8845806452
C    2.7422794138  -2.4329541443  -1.9149082488
C   -0.9821793756  -1.5393034839   1.0462629416
C   -2.1055791675   1.5875491153  -1.6388959498
C   -2.9442044719   1.2224054531  -0.5972293264
C    4.7705160851  -2.3899930412  -1.2631388244
H    3.1208316344   1.0993432591  -0.1586804446
H    2.5356925670   0.1433615882   1.1994242475
H    2.0790004811   2.8906188572   1.6104583110
H    1.2411889931   1.5872104753   2.4570162881
H   -0.1117293451   3.7256076307   0.7422801595
H   -0.9409080252   2.4295002518   1.5849746449
H   -0.2423992740   1.2195395038  -2.6122942944
H   -3.2616904650  -0.0688430130   1.0699805296
H    4.5651605095  -0.6117178674   0.0422242975
H   -0.1088519850   3.3293929462   3.7884826277
H    0.7256694835   4.6284712859   2.9398095751
H   -1.0301797717   4.5423438573   2.9104723860
H    1.8083681655  -2.6822953609  -2.3907771172
H   -2.3880990893   2.3743011822  -2.3253753114
H    5.8003648482  -2.7006725097  -1.1848460209
*