! 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  -0.6271129130   0.9452185517  -2.4366631968
Cl  -4.8782248774   2.8583033043   0.1753932873
F    2.9868962238  -1.3843410264  -0.8352762412
F    3.1554391907   0.7025437568  -1.3622182047
F    5.0801230027  -1.0925893582   0.9506825711
F    5.2670969986   0.9981546989   0.3445526670
O    2.6897626762   0.1523965744   0.7597092730
N   -0.9182348383  -2.3036307162   0.8986428297
N   -1.1608664039  -2.7865152977  -0.3191557826
N   -2.8446392272  -3.2924056663   1.0759244422
C    0.2834809407  -0.2612674317   0.2494216811
C    0.2369126610  -1.4800205627   1.1720364174
C    1.3756899503   0.7195629775   0.6743855158
C   -1.0127547538   0.5106929684   0.2196191818
C   -1.5050728524   1.0877121168  -0.9491701617
C   -1.7499783021   0.7197944097   1.3824655769
C    3.3646601063  -0.1696462377  -0.3512534310
C   -2.6890716814   1.8083648780  -0.9790719843
C   -2.9340591173   1.4361513497   1.3894246813
C   -1.9288075041  -2.6018938780   1.7113211975
C   -3.3969883572   1.9686510657   0.1987342500
C    4.8642129702  -0.2257562252  -0.0628172479
C   -2.3198765990  -3.3710789995  -0.1584573440
H    0.4876871886  -0.6215646865  -0.7593462582
H    1.1352575179  -2.0808620715   1.0428594210
H    0.1932031273  -1.1981451871   2.2238389993
H    1.3794109973   1.5895509255   0.0160355848
H    1.1797673583   1.0781286022   1.6844014248
H   -1.3949781065   0.3210103999   2.3236749279
H   -3.0484718071   2.2356528481  -1.9046691548
H   -3.4810568816   1.5719708419   2.3114534056
H   -1.9508145856  -2.3122338656   2.7496574732
H    5.4422643650  -0.5297107925  -0.9359308798
H   -2.8106029745  -3.8792647108  -0.9733588828
*
