! 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    0.8882300822   1.9363892893   1.8685399717
F    4.1311129523  -1.6451628000  -1.3065296204
O   -1.1583594839  -0.0685194715   1.7975829442
N   -1.7114928310  -1.8082997039  -0.5164882800
N   -1.8554713788  -2.5536096819   0.5863737953
N   -0.9933865078  -3.7812188543  -1.0762732701
C   -0.8624078884   0.2720734001   0.4625420824
C   -1.9003235590  -0.3801873216  -0.4800831298
C    0.5186412540  -0.2143914315   0.0284216024
C   -0.9348431597   1.7880572388   0.3870152786
C    1.2524123853  -1.1074978998   0.7978872606
C    1.0326645969   0.1888905669  -1.2010652572
C   -0.0388261152   2.5553444348   1.1236478738
C   -1.8764350584   2.4799201248  -0.3687205453
C    2.4729132310  -1.5975778134   0.3531906457
C    2.2506057346  -0.2861552930  -1.6608181693
C   -0.0466685964   3.9347658745   1.1180458306
C   -1.9096033172   3.8680887953  -0.3924860493
C   -1.1782116208  -2.5486106618  -1.4861480699
C    2.9494507986  -1.1774831550  -0.8705611209
C   -0.9950578878   4.5961171931   0.3509900785
C   -1.4156217942  -3.7245732005   0.1981285453
H   -2.9143992633  -0.1615121804  -0.1449152827
H   -1.7970971084  -0.0216796644  -1.5019662859
H    0.8921725896  -1.4319620160   1.7639490980
H    0.4854546025   0.8892961544  -1.8210569747
H   -2.6059020490   1.9430670901  -0.9591129398
H   -1.3757220563  -1.0139966818   1.8366704405
H    3.0422872225  -2.2924097722   0.9563791713
H    2.6468407534   0.0327078105  -2.6156671047
H    0.6789921459   4.4807564159   1.7064418466
H   -2.6533539322   4.3736328661  -0.9927114586
H   -0.9629957998  -2.1586154244  -2.4681623312
H   -1.0133815433   5.6773087575   0.3379499392
H   -1.4077950068  -4.5734878724   0.8630906855
*