! 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    3.8749554318   1.8369256360   1.5246654693
F   -4.2264513332  -2.3852587617   0.0732735225
F   -2.6401075701  -2.2320374639  -1.4231393087
O   -2.4415568416   0.6174092835  -2.5198705358
N   -0.4144032279   1.3804925845  -1.9210797392
N   -2.0790577667   0.3540264991   1.9281274004
N   -2.8913137870  -0.5976786731   1.4788606322
C    2.9284891926  -0.9054573122   0.7427719971
C    1.8357578352  -1.8513245942   0.1856228855
C    1.0673106394  -1.0978513919  -0.9139638934
C    2.3920454506   0.4478461891   0.3310530206
C    1.3328337980   0.3426938459  -0.5637917568
C    3.0509555515  -1.0694569313   2.2571514548
C    4.2888166375  -1.1625232418   0.0876246313
C    1.5332801224  -1.4202963059  -2.3332110530
C    0.6967424919   1.4803554359  -1.0495171186
C    2.8347744936   1.7081001326   0.6833129842
C    1.1622173020   2.7342155096  -0.6714571834
C    2.2418371254   2.8551797607   0.1906512754
C   -1.6099600303   0.8196089449  -1.6396436506
C   -1.9077231097   0.4667959125  -0.2442877449
C   -2.8026350193  -0.5413329557   0.1689372513
C   -1.4641589832   1.0161178343   0.9434961785
C   -3.5393287956  -1.5042363942  -0.6955313426
C   -1.9852827612   0.6234400756   3.3446138825
H    1.1415527216  -2.1028349403   0.9907722091
H    2.2586329313  -2.7920486661  -0.1720631449
H    0.0036230440  -1.3382452951  -0.8499932618
H    3.8502619496  -0.4607201200   2.6788000553
H    2.1208668560  -0.8050270909   2.7630058696
H    3.2735046964  -2.1103816410   2.5000692721
H    4.2379288531  -1.0909167000  -0.9992750211
H    5.0394039203  -0.4491032294   0.4310385452
H    4.6463953963  -2.1633360583   0.3371154723
H    1.3779799080  -2.4773082344  -2.5531456814
H    2.5926586523  -1.2030672605  -2.4735577630
H    0.9771976156  -0.8459077907  -3.0751265130
H    0.6720454030   3.6251864410  -1.0409739522
H    2.6069698619   3.8296606899   0.4866160720
H   -0.2813446516   1.6674626622  -2.8821617796
H   -0.7911943552   1.8309519134   1.1517894433
H   -4.2347402373  -1.0332957547  -1.3873280323
H   -1.0523908402   1.1376944768   3.5495050926
H   -2.8140138488   1.2450546745   3.6749038550
H   -1.9985485892  -0.3131823682   3.8922133959
*