! 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    0.2962286635   1.5923247227   0.7572640534
F    1.1897636189   0.6059855907   2.4831226438
F   -1.8164136600   2.0952158937  -2.6887384729
F   -3.7945847042   1.9866797042   1.5315761076
F   -3.1862139786   3.3244388634  -0.7242175317
O    2.6463856310  -2.4724433017  -0.3951808259
N    0.7066815743  -1.3417382123  -0.0149732173
N    4.4821357759   1.2120323311  -0.2291793622
N    3.6020386366   1.8666282047   0.5153119403
C   -1.5987804195  -2.0013964704  -0.1022660118
C   -0.2453398075  -2.3687698709  -0.0079457363
C    2.8039531486  -0.1723296034  -0.0118026117
C   -2.0096594865  -0.5873842712  -0.2721089229
C    2.5764982067   1.0530035556   0.6568553906
C    2.0536545526  -1.4318389202  -0.1495627173
C    4.0605032613  -0.0104417201  -0.5606765551
C   -2.5816020650  -2.9804738294  -0.0108304229
C    0.0835403876  -3.7158754232   0.1491929723
C   -2.7237330278   0.0473924718   0.7401360836
C   -1.6983155458   0.1041917169  -1.4413316968
C   -2.2520885999  -4.3168793067   0.1457529666
C    1.4462204490   1.5099042424   1.5005061496
C   -0.9153721106  -4.6741784094   0.2198476273
C    5.7340364115   1.8338134538  -0.5957136944
C   -2.0984592026   1.4161572069  -1.5771281394
C   -3.1133379686   1.3589313463   0.5733749564
C   -2.8061904839   2.0577849786  -0.5783964013
H    0.3241153291  -0.4106802035   0.0402884716
H    4.6543289360  -0.6788305114  -1.1622039565
H   -3.6207294808  -2.6842725678  -0.0772799217
H    1.1115105281  -4.0258488875   0.2316851409
H   -2.9674273494  -0.4695599856   1.6587164150
H   -1.1608360323  -0.3732822392  -2.2502922763
H    1.6327722526   2.4856787533   1.9466483392
H   -3.0291473466  -5.0662647858   0.2077064956
H   -0.6352162542  -5.7118087646   0.3431743724
H    6.2826997157   2.1239536567   0.2966390028
H    6.3264674240   1.1207592649  -1.1596070971
H    5.5538483052   2.7120142481  -1.2106542408
*