! 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  -5.3258348688   1.2276744963  -0.4648517635
F   -0.1670945647  -1.0309161547   1.7284218875
F   -2.0982645737  -1.9190174274   2.0297964718
F   -0.8071087874  -2.6683545164   0.4887810694
O    2.3232261946   2.0107386651   0.3144114990
N    2.5243735491  -0.3758163131  -1.2188653673
N    0.2661673408  -0.5291404828  -1.1091609194
N    4.6620887040  -0.6088967240  -1.7181649282
C    1.2834083943   0.2101059683  -0.9631612518
C    1.2769046031   1.6668591978  -0.5441897652
C    2.2344996345   1.4280833952   1.6039884386
C   -1.0277904058  -0.0622716861  -0.9166262245
C    3.4511779212   1.8348150940   2.4054286494
C   -1.8199303200  -0.5736602379   0.1186906535
C   -1.5980377183   0.8410679851  -1.8104128448
C   -3.1393135820  -0.1686494261   0.2603648561
C    2.7520718287  -1.7325565068  -1.3557936893
C    3.4106133859   1.2500277047   3.8085708346
C    3.7237727237   0.2451202059  -1.4507142376
C   -1.2264337641  -1.5487166892   1.0883734146
C   -2.9148226631   1.2422916693  -1.6779559993
C   -3.6771335161   0.7341345866  -0.6403724314
C    4.0667649895  -1.8484634095  -1.6521863205
H    0.3012298078   1.8913437639  -0.0981264927
H    1.3703099572   2.2870897191  -1.4397141176
H    2.1934336260   0.3333755763   1.5372632731
H    1.3133917636   1.7578056790   2.1023529569
H    4.3509933391   1.4934252260   1.8867829600
H    3.5059766182   2.9248760679   2.4592754823
H   -1.0050194548   1.2248046276  -2.6302047687
H   -3.7531359335  -0.5495884979   1.0639755873
H    1.9758988508  -2.4633837289  -1.2143592290
H    3.3681122580   0.1598011697   3.7866990188
H    4.2983608527   1.5313774388   4.3742487086
H    2.5411183157   1.6042994453   4.3644499032
H    3.8493972624   1.3134185999  -1.4368506409
H   -3.3356998008   1.9463777724  -2.3820959671
H    4.6249316008  -2.7547301535  -1.8225887444
*