! 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   -0.0226640422   0.8172301988  -1.9577976989
F    5.6113099245  -0.2768899338  -0.1583723548
O   -0.1051468434  -0.9313665704   1.8990781002
N   -2.0466887916  -1.5530050751  -0.2911965227
N   -2.6837170828  -1.7375916937   0.8710029813
N   -4.1158708499  -1.0306786522  -0.6988560677
C    0.0283692566  -0.5332697817   0.5516716045
C   -0.6078538016  -1.6157080994  -0.3581068756
C    1.5286838215  -0.4439005220   0.3074022086
C   -0.6737499877   0.8006562671   0.3053112304
C    2.1995289123   0.7744834324   0.3253239121
C    2.2800003542  -1.6081783997   0.1536084505
C   -0.6826917470   1.4086953940  -0.9435760543
C   -1.3610058273   1.4589222655   1.3198026043
C    3.5766151271   0.8421253742   0.1693722813
C    3.6554052385  -1.5625451751  -0.0095726811
C   -1.3265809723   2.5996066748  -1.2050857242
C   -2.0210589351   2.6583211796   1.0896057730
C   -2.9083059060  -1.1142787354  -1.2064330656
C    4.2803082844  -0.3314774930  -0.0009777746
C   -2.0056114141   3.2299218379  -0.1724932781
C   -3.9176667222  -1.4154681518   0.5738610961
H   -0.3167513326  -1.5036111788  -1.3983954992
H   -0.2913310273  -2.6066462875  -0.0355707378
H    1.6587766584   1.7000308696   0.4702249007
H    1.8067688662  -2.5809072605   0.1598495706
H   -1.3774661909   1.0369790372   2.3145981806
H   -1.0175306899  -1.2312685518   2.0423780632
H    4.0882545627   1.7952071840   0.1821826782
H    4.2278312719  -2.4717508950  -0.1355985852
H   -1.2936845088   3.0246705165  -2.1996237637
H   -2.5440133649   3.1444090791   1.9018348283
H   -2.6233919406  -0.8934014118  -2.2230768584
H   -2.5159477584   4.1648791539  -0.3595290039
H   -4.7073350456  -1.4673866582   1.3065458324
*