! 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  -2.8689292352  -2.4498278111   1.6017345361
Cl  -5.3272869846  -0.9280071305   1.4411772182
F    4.4091923969  -2.1570106385  -2.5693458988
F    4.6926795826  -0.0107685895  -2.8238567686
O    1.1741947530   0.2900930230  -1.4339792602
N    1.0525227393   1.2041597773   0.6334459425
N    4.6710053501  -0.8521873377   1.1867653945
N    4.9244221694  -1.1881825540  -0.0708131366
C   -1.6725747705  -0.1352011579  -0.3585953601
C   -3.6050919751   1.0650492167  -0.4750538497
C   -1.9994784277  -0.1081861331  -1.8764526016
C   -3.3133884133   0.7095645183  -1.9548454238
C   -3.0813402113  -0.1863384400   0.1857643693
C   -1.3334011932   1.2798288465   0.0481604723
C   -2.5225373499   2.0158261052  -0.0262934919
C   -0.1645317237   1.8923036358   0.4668888119
C   -2.5746688157   3.3534082290   0.3015877746
C   -3.6753393202  -1.0648514915   0.9661364939
C   -0.2167883351   3.2456855140   0.8177434193
C   -1.3988565671   3.9623312148   0.7376550787
C    1.6570150026   0.4600030927  -0.3241955278
C    2.9425553067  -0.1338906097   0.0630860489
C    3.8893987270  -0.7687132205  -0.7680498460
C    3.5020776006  -0.2218660812   1.3243991463
C    3.8811311760  -0.9460455693  -2.2457429547
C    5.6028247596  -1.1810947577   2.2444892226
H   -0.9838817150  -0.9147697472  -0.0472553821
H   -4.6255326275   1.3708278180  -0.2612846612
H   -2.1484170673  -1.1254520518  -2.2386889899
H   -1.1868107752   0.3330836761  -2.4471806359
H   -3.2223128028   1.6057473050  -2.5675060610
H   -4.1286648395   0.1116566172  -2.3618829230
H   -3.5006953128   3.9108474670   0.2476061836
H    0.6843601559   3.7359244037   1.1650721084
H   -1.4045267934   5.0056020336   1.0237105755
H    1.6036121994   1.4841502225   1.4303325652
H    3.1473353154   0.0983800566   2.2909438576
H    2.8933059442  -0.8653574994  -2.6900352860
H    6.4605074656  -1.6782022676   1.8045711815
H    5.1364434493  -1.8458211644   2.9675122324
H    5.9342767136  -0.2768820041   2.7488276381
*