! 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  -6.0633971375  -3.6574735250   0.1778992337
F    2.0954429143  -2.4886897946  -0.1164484076
F    2.8034597731  -1.1809993877   1.4566928700
F    0.8861478278  -2.0866057071   1.5921396994
O    3.7982309726  -0.6068171311  -0.9905476687
O   -2.3727077341   0.8668924544  -0.2997918031
N    3.3139584666   2.7144830298   0.5466768822
N    3.5398417953   3.8420909311  -0.1335992787
N    1.9176882041   4.1563218208   1.3851981068
C    3.2892352013   0.7054028012  -0.9631790864
C    1.7789611329   0.6246269828  -0.7459544894
C    3.9503316874   1.4644380610   0.2203762954
C    3.6578700982   1.3868871923  -2.2822092856
C    1.0933273593  -0.3412694058   0.0177028055
C    1.0055829879   1.6435091907  -1.3020050936
C   -0.2923119241  -0.2736439825   0.1554764729
C   -0.3671389552   1.7141975005  -1.1691403731
C   -1.0216048012   0.7392240535  -0.4432411070
C    1.7373030834  -1.5150038638   0.7238413333
C    2.3394221539   2.9171449422   1.4345782725
C    2.6836245535   4.6710893006   0.4057404744
C   -3.1811563655  -0.2352412533  -0.1914463099
C   -4.2534197382  -0.1413123960   0.6835136015
C   -2.9965725277  -1.3754542117  -0.9628057093
C   -5.1494182763  -1.1925221634   0.7924623270
C   -3.8843449547  -2.4330026628  -0.8429713426
C   -4.9539143737  -2.3355579749   0.0334036744
H    3.9315947689   0.8500453123   1.1159427020
H    4.9971811406   1.6615759663  -0.0135976127
H    3.4303315733   2.4484853949  -2.3118908101
H    4.7358784459   1.3000795400  -2.4291126618
H    3.1623470996   0.9044000032  -3.1240726442
H    1.4764506767   2.4224219788  -1.8824439699
H   -0.8156571885  -1.0122971758   0.7443324031
H    4.7513431834  -0.5587216743  -1.1326212495
H   -0.9191884091   2.5228131789  -1.6294117627
H    1.9870274395   2.1473477382   2.1034139846
H    2.6156432270   5.6984713776   0.0842176013
H   -4.3948754862   0.7542771355   1.2745758899
H   -2.1741824252  -1.4538359846  -1.6620873782
H   -5.9869951591  -1.1159717538   1.4720828617
H   -3.7399845104  -3.3226863476  -1.4404842900
*