! 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  -4.7598940821   1.8705735565  -0.1299313710
F   -0.4208662140  -2.0108390431   1.4686919339
F   -2.4840148091  -2.5498012290   1.2147133518
F   -1.0788712433  -2.9227657778  -0.3635373889
O    2.6014472892   1.3570475563   1.1221284222
N    2.7401943027  -1.0047924646  -0.5721948399
N    0.5370552132  -0.6003577954  -0.9394932921
N    4.8075961494  -1.7743049566  -0.4724317590
C    1.5430622801  -0.3950221111  -0.1991730611
C    1.5614248078   0.4223926955   1.0771977056
C    2.4808111464   2.4658704781   0.2378055663
C   -0.6991955794  -0.0105568548  -0.6950364386
C    1.9720325925   3.7154912421   0.9316048891
C   -1.7051812504  -0.6849288065   0.0074753045
C   -0.9867374263   1.2397273669  -1.2363439421
C   -2.9534241570  -0.1027009148   0.1807772802
C    2.9506866369  -1.7230381757  -1.7343580402
C    0.5671272289   3.6095866964   1.5063119294
C    3.9056610501  -1.0786447840   0.1456539121
C   -1.4274668924  -2.0408693452   0.5788348413
C   -2.2277720207   1.8248841671  -1.0641507218
C   -3.2038609056   1.1487835278  -0.3524033843
C    4.2212816752  -2.1785918525  -1.6509428260
H    1.7003819934  -0.2567503068   1.9222344802
H    0.5790673445   0.8838724334   1.2033925815
H    1.8411980030   2.2202735104  -0.6188769725
H    3.4780460389   2.6548342785  -0.1646919249
H    2.6745511240   3.9995692806   1.7194794464
H    2.0039504981   4.5195235920   0.1917436473
H   -0.2285164751   1.7600963806  -1.8058515010
H   -3.7315371787  -0.6144004252   0.7289559884
H    2.1944117839  -1.8366152231  -2.4898154212
H    0.5062235421   2.8829046721   2.3173449707
H    0.2483341846   4.5680225692   1.9167360561
H   -0.1610866477   3.3257256116   0.7436286281
H    4.0394054236  -0.6147225107   1.1072657220
H   -2.4244158463   2.8013378044  -1.4846972554
H    4.7533052998  -2.7784051080  -2.3713584847
*