! 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    0.8285694401   1.9326768330   1.9509745657
F    4.2737891045  -1.5673461889  -1.2104462589
O   -1.1727257745  -0.1883887561   1.6978275890
N   -1.7272558685  -1.8191472056  -0.5429008618
N   -2.4564832225  -2.5591824410   0.2969664021
N   -1.0900415741  -3.8646696023  -0.9139408351
C   -0.7939698929   0.2640087636   0.4198845184
C   -1.7948989742  -0.3820274400  -0.5583156910
C    0.6062409132  -0.1968569220   0.0319577178
C   -0.8846731974   1.7866777933   0.3450332981
C    1.2352319571  -1.2388495974   0.7024595191
C    1.2399158414   0.3678573987  -1.0718757588
C   -0.0460964778   2.5594283390   1.1406580890
C   -1.7768674758   2.4791180305  -0.4682097378
C    2.4762418189  -1.7057643470   0.2911715743
C    2.4757049168  -0.0883144632  -1.5005380321
C   -0.0549317452   3.9371506405   1.1433105338
C   -1.8137561492   3.8674169962  -0.4866504775
C   -0.9143357943  -2.6102192844  -1.2465875123
C    3.0739594938  -1.1213451121  -0.8053817830
C   -0.9526218878   4.5972325865   0.3162163404
C   -2.0423618475  -3.7701510921   0.0336330413
H   -2.8157751628  -0.0963313674  -0.3105051187
H   -1.5909599831  -0.0503635568  -1.5744274762
H    0.7670159236  -1.7118001619   1.5548952727
H    0.7704645134   1.1763079854  -1.6188455093
H   -2.4601826201   1.9435417388  -1.1119896063
H   -0.5083228053   0.0770780392   2.3436018891
H    2.9638197315  -2.5156090644   0.8173567232
H    2.9634901792   0.3552639647  -2.3581743593
H    0.6277882562   4.4822053321   1.7815349747
H   -2.5179902386   4.3723864993  -1.1330839959
H   -0.2356895349  -2.2367049384  -1.9973096455
H   -0.9733834673   5.6782001325   0.3036313921
H   -2.4519054483  -4.6274365684   0.5440378120
*