! 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   -0.2223863446   1.7241298516  -1.8747978986
F    4.5527744066  -1.4858596471  -0.3369064216
O   -1.0825147045  -0.0382794906   1.8798145202
N   -1.7686585380  -1.8161347991  -0.3465082269
N   -1.7576573541  -2.4958437915   0.8058556208
N   -1.5633260628  -3.9016720530  -0.9238474421
C   -0.7438859211   0.2579710714   0.5463210286
C   -1.8112709000  -0.3691868778  -0.3760448678
C    0.6772306609  -0.2333547092   0.2571735878
C   -0.7964190949   1.7787598356   0.4163427995
C    1.0840215203  -0.7374193548  -0.9744688359
C    1.6217175391  -0.1539102177   1.2798061620
C   -0.5240803639   2.4393600792  -0.7758863587
C   -1.1008005751   2.5860148130   1.5117551320
C    2.3881576520  -1.1655763481  -1.1827105976
C    2.9299893782  -0.5684452639   1.0894703823
C   -0.5492634749   3.8129262410  -0.9073650822
C   -1.1273081241   3.9698479431   1.4108903693
C   -1.6426453787  -2.6667684405  -1.3619116081
C    3.2899371658  -1.0734633988  -0.1440992559
C   -0.8531706877   4.5874494817   0.2009235850
C   -1.6313196104  -3.7365187399   0.4073408187
H   -2.7923423789  -0.0292979774  -0.0415511868
H   -1.7072349838  -0.0720220025  -1.4154177100
H    0.4028087437  -0.8126761327  -1.8093945124
H    1.3444218078   0.2366305840   2.2490834626
H   -1.3192611638   2.1331661210   2.4667147524
H   -1.2079625966  -1.0004039194   1.9431888638
H    2.6896434235  -1.5633869903  -2.1423789994
H    3.6535403649  -0.5013914757   1.8909739313
H   -0.3321976846   4.2638294906  -1.8666696828
H   -1.3645786155   4.5624976401   2.2837990097
H   -1.6280416312  -2.3506572878  -2.3931686379
H   -0.8743293667   5.6650942161   0.1132770422
H   -1.5908477855  -4.5532073503   1.1102741961
*