! 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
F   -4.1195441264  -0.0698273423  -0.1866252970
F   -2.6959592237  -1.2926537794  -1.2353358445
F   -2.9083868344  -1.4805694819   0.8926363762
O    1.8255621612  -1.5808749962  -0.2998747225
N    1.8791789021   0.6579353894   0.1231398621
N    3.8299754502  -0.5257398111  -0.1505267304
C    0.5210379066   0.9485008702   0.1984026229
C   -1.8321955947   0.4477868706   0.0912557632
C   -0.5075422017   0.0311926530  -0.0044001882
C    0.1838185387   2.2746768411   0.4961605911
C   -2.1653998281   1.7583798496   0.3882104001
C    2.4782622046  -0.5539537791  -0.1217264424
C   -1.1353707315   2.6684689246   0.5885596049
C   -2.8918916001  -0.5895931332  -0.1108224900
C    4.5806276516  -1.7417852169  -0.3845165978
C    4.6014336396   0.6855931296   0.0526263831
H   -0.2784901965  -0.9953547402  -0.2377854307
H    2.4745772345   1.4560737767   0.2788956480
H    0.9688091888   3.0040306126   0.6566629111
H   -3.1925591731   2.0842389997   0.4651076510
H   -1.3664091490   3.6992702926   0.8194263765
H    3.9147562633  -2.5870184799  -0.5165709954
H    5.2387426464  -1.9554345198   0.4589134474
H    5.1943674464  -1.6481600888  -1.2815330313
H    4.4594028132   1.1080336723   1.0496252830
H    4.3773668627   1.4498490417  -0.6940245388
H    5.6566243366   0.4471623958  -0.0448048215
*