! 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 "WATER"
end
*xyz 0 1
Cl  -5.2681229299   1.2620691387  -0.4346908682
F    0.0081205892  -0.8165657890   1.6197212919
F   -1.8930652615  -1.6907816251   2.1041887844
F   -0.6783755560  -2.5582217948   0.5619474534
O    2.1701933842   1.2511889519   0.8124245475
N    2.5232496257  -0.6032468053  -1.2757625468
N    0.2546241526  -0.6070992657  -1.3149060345
N    4.6868928509  -0.8882117138  -1.6025303099
C    1.3061598868   0.0169827703  -0.9946411129
C    1.3894013692   1.3693993493  -0.3408305568
C    2.3893900617   2.4938639652   1.4518788883
C   -1.0183255828  -0.1096456966  -1.0598658222
C    3.1904307442   2.2698672935   2.7152583164
C   -1.7360831392  -0.5108447630   0.0731989735
C   -1.6396533680   0.7226221640  -1.9869907230
C   -3.0428908549  -0.0837960919   0.2650745555
C    2.6917133702  -1.9181041933  -1.6635171475
C    2.4810896844   1.4000116640   3.7425146643
C    3.7699018725  -0.0388616294  -1.2587452134
C   -1.0790143190  -1.3951000012   1.0879507232
C   -2.9412994040   1.1507020918  -1.7993054005
C   -3.6360436582   0.7408384345  -0.6737413876
C    4.0231872646  -2.0685929499  -1.8516628477
H    0.3789072283   1.7270100285  -0.1154203102
H    1.8174755101   2.0822269492  -1.0611029966
H    1.4295997596   2.9705886533   1.6938241397
H    2.9256127291   3.1747874678   0.7777917337
H    4.1623434739   1.8398368883   2.4588839236
H    3.3955842936   3.2538579960   3.1431582938
H   -1.0965002447   1.0310703066  -2.8700205153
H   -3.6018518442  -0.3861024677   1.1391774989
H    1.8678771323  -2.6033752608  -1.7519896844
H    1.5271039267   1.8396329064   4.0396049652
H    2.2781798165   0.4000616882   3.3596226457
H    3.0860232990   1.2902164504   4.6429037116
H    3.9476778644   0.9933917646  -1.0094630221
H   -3.4053145053   1.7986019263  -2.5300573817
H    4.5484536393  -2.9610298027  -2.1507942289
*