! 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    1.8004328563   1.7857126504  -1.9093888699
F    2.4677030682  -0.1166529034  -2.7369094520
O    0.9413216760  -0.8739408046   1.7418470886
N    0.5891333457  -0.8387840618  -0.4936356900
N    4.7623060766   0.4220990745   0.8969545709
N    4.5961339094   0.8544587641  -0.3451318990
C   -3.1978847436   0.9931466854   0.8869975309
C   -1.8151159997   0.3911484612   1.2284772358
C   -3.9273714637  -0.3656440215   1.0009363207
C   -2.1192934736  -0.2464085780   2.6070032947
C   -3.5714743797  -0.7601174191   2.4522721094
C   -1.7560281348  -0.7406963079   0.2373914716
C   -3.0676816806  -1.2142608220   0.1039075838
C   -3.3282469275   1.7347215117  -0.4402614223
C   -0.7368466749  -1.3167789438  -0.5004391070
C   -3.3807064090  -2.2584152538  -0.7404366834
C   -2.3412285038   2.8948522780  -0.5185280958
C   -4.7551185052   2.2396377902  -0.6292570634
C   -1.0524690092  -2.3658971113  -1.3722632277
C   -2.3514813080  -2.8288409891  -1.4900271076
C    1.3396666841  -0.6313911160   0.6108492801
C    2.6964414629  -0.0981230371   0.4012434005
C    3.3560881536   0.5508328146  -0.6691502438
C    3.6584165688  -0.1452414476   1.3898631346
C    2.8839777601   0.9702093435  -2.0100143099
C    6.0252999339   0.5926718456   1.5835150515
H   -3.5188993681   1.6706860891   1.6886534711
H   -0.9706232835   1.0761353582   1.2334396086
H   -4.9934795923  -0.3846865416   0.7790688362
H   -2.0506905741   0.5116603655   3.3888030208
H   -1.4122496070  -1.0348476168   2.8547248029
H   -3.6637385219  -1.8335431034   2.6196613855
H   -4.2461389013  -0.2639842691   3.1517819337
H   -3.1016338533   1.0458268492  -1.2610851926
H   -4.3985715242  -2.6130335211  -0.8438430412
H   -1.3049743178   2.5534596346  -0.5086058111
H   -2.4827461092   3.4676189626  -1.4368999843
H   -2.4703890624   3.5834496248   0.3204396784
H   -5.4824758373   1.4264203940  -0.6283745816
H   -5.0353441690   2.9335594213   0.1673024324
H   -4.8623022334   2.7693931705  -1.5774947834
H   -0.2670987562  -2.8161074438  -1.9674962854
H   -2.5651729421  -3.6368009845  -2.1774371310
H    1.0571906456  -0.8486156843  -1.3859192618
H    3.6229279434  -0.5496636933   2.3881268109
H    3.6634972775   1.4775340480  -2.5768144061
H    6.4252247024  -0.3730586948   1.8820659101
H    6.7239795697   1.0745870146   0.9083341701
H    5.8935078469   1.2151366575   2.4650107996
*