! 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    4.7381012278   1.8446833808  -0.7044991290
F   -2.0871025357  -2.1371060720  -1.2424369496
F   -2.4584444930  -0.4417822574  -2.5590324401
O   -1.3013654228   2.1807883110   0.8061922681
N   -0.5194850638   0.2602249199  -0.1050460777
N   -4.9774864654   0.2756251658   0.8682897586
N   -4.7945262492  -0.5668131420  -0.1385503348
C    4.1553666379  -0.7613011367   0.6611518952
C    3.2372915284  -1.9840724273   0.8257929636
C    1.8078609726  -1.4575693224   0.9975892058
C    3.1918183089   0.2311492377   0.0457945662
C    1.8617697417  -0.1564684282   0.2220009262
C    4.6246908710  -0.2439089966   2.0246336932
C    5.3615276980  -1.0998725296  -0.2105020957
C    0.7769137567  -2.4999148188   0.5821122088
C    0.8281946994   0.6523007087  -0.2443398301
C    3.4636566505   1.4369879650  -0.5644391715
C    1.1391419280   1.8468630347  -0.8918818531
C    2.4540977302   2.2494069287  -1.0450627357
C   -1.5058085808   1.0607596182   0.3579058135
C   -2.8710236470   0.5081451904   0.3278588078
C   -3.5278064150  -0.4484727116  -0.4807359679
C   -3.8654436754   0.9493067441   1.1770663359
C   -3.0516425061  -1.2448881934  -1.6361218230
C   -6.2685212711   0.3992484484   1.5104049118
H    3.5463209163  -2.6276968871   1.6507279230
H    3.2753068865  -2.5857844001  -0.0880548990
H    1.6342969222  -1.2067989499   2.0511575617
H    5.1865866923   0.6856460417   1.9247048473
H    3.7871297680  -0.0552467972   2.6983295810
H    5.2780574316  -0.9759951141   2.5031827894
H    5.0614100053  -1.3529170033  -1.2284787836
H    6.0818509656  -0.2850802880  -0.2603705909
H    5.8803408236  -1.9656616820   0.2044082056
H    0.7571147303  -2.6373264476  -0.5004738041
H   -0.2284811626  -2.2695248279   0.9321347007
H    1.0352105773  -3.4630627691   1.0244061342
H    0.3522529881   2.4685319102  -1.2947853001
H    2.6893931060   3.1806777839  -1.5425826550
H   -0.7393947459  -0.6968685548  -0.3247850225
H   -3.8420331374   1.6768453824   1.9718680443
H   -3.8580739055  -1.8040002054  -2.1097519330
H   -6.9709120496  -0.2516093491   1.0014519524
H   -6.2017151265   0.1057402209   2.5551921296
H   -6.6225777196   1.4251664054   1.4478147417
*