! 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    4.7660174897   1.7076879041   0.3824893205
F   -2.6630644982   1.8398606841  -1.9103435909
F   -2.7112948803   2.6612443488   0.1073027220
O   -0.8574759030  -0.7212406411   1.7478253734
N   -0.5500456906   0.3497987783  -0.2200820519
N   -4.7972587431  -1.1111048200   0.3889604944
N   -4.8765543955   0.0681023072  -0.2106992082
C    4.0406165125  -1.1975930119   0.1574501303
C    3.0094289912  -2.3472178677   0.2715217186
C    1.6413217338  -1.8088282320  -0.1846314983
C    3.1379871594   0.0171749027   0.1702348708
C    1.7979154027  -0.3235097682   0.0075888848
C    5.0196011923  -1.2396642461   1.3297483705
C    4.8207814193  -1.2642032758  -1.1593788996
C    1.2895838797  -2.1551826536  -1.6309646007
C    0.8186013810   0.6617870082  -0.0334514350
C    3.4750939736   1.3537052694   0.2570163565
C    1.1884915282   1.9974996531   0.0749238136
C    2.5213866342   2.3530937281   0.2122210049
C   -1.3130663811  -0.2534457581   0.7123109306
C   -2.7522436270  -0.3443870909   0.4073366508
C   -3.6497776304   0.5484765502  -0.2160839633
C   -3.5532350215  -1.3987546086   0.7889064711
C   -3.4235032045   1.9034111391  -0.7714626335
C   -5.9642023586  -1.9568921556   0.5214444480
H    2.9366766171  -2.6542449606   1.3173959278
H    3.3207975222  -3.2269975357  -0.2952027877
H    0.8525685935  -2.2038934722   0.4575597864
H    5.8001475612  -0.4839069864   1.2468445976
H    4.5078611224  -1.0966401503   2.2827459323
H    5.5136607240  -2.2128182029   1.3639017164
H    5.4269202248  -2.1716827588  -1.1954488546
H    4.1599178130  -1.2735638821  -2.0265824861
H    5.4953261899  -0.4134915873  -1.2673028275
H    1.2225660790  -3.2366649595  -1.7569137296
H    2.0372911134  -1.7848995436  -2.3334320446
H    0.3266702006  -1.7319282793  -1.9188585449
H    0.4274720533   2.7670229365   0.0517453231
H    2.8118137628   3.3923459443   0.2901700643
H   -0.9809418261   0.6726823105  -1.0723877959
H   -3.3131869336  -2.3202152710   1.2938555703
H   -4.3548349153   2.4141504398  -1.0137606003
H   -6.0309191486  -2.3381302841   1.5364070424
H   -6.8476568605  -1.3659113934   0.3056058891
H   -5.9130645635  -2.7917050837  -0.1736307884
*