! 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    2.5977066576  -0.6478511322  -2.6868260504
F    1.1729115808   0.9963026500  -2.5503176728
F   -1.6465433822   2.6681978787  -1.3696468578
F   -3.4825146908   1.4686554713   2.7461938355
F   -2.8542734677   3.3625056953   0.9352656612
O    0.5986902191  -0.8186325460   1.6481641106
N    0.7348438850  -1.5122188364  -0.4964331840
N    3.7945517032   1.6440677265   0.7945500490
N    3.7248221766   1.6632663685  -0.5294896849
C   -1.6261217668  -1.9975478816  -0.0695363888
C   -0.3400588472  -2.4204796254  -0.4258052233
C    2.2073500993   0.2225097860   0.3021238873
C   -1.9411493831  -0.5786142523   0.1949953775
C    2.7771708749   0.8078439716  -0.8530988208
C    1.1198665703  -0.7366602844   0.5452380376
C    2.9043287892   0.8112235728   1.3385001736
C   -2.6399662615  -2.9499320285   0.0102418387
C   -0.1057815595  -3.7546330762  -0.7372173552
C   -2.5760467448  -0.2198631284   1.3802161021
C   -1.6261759982   0.3994156333  -0.7446836816
C   -2.4041669603  -4.2809736392  -0.2960010010
C    2.4663565044   0.6588485905  -2.2948068435
C   -1.1348680302  -4.6812382078  -0.6862933955
C    4.7047311130   2.5207727426   1.4990964116
C   -1.9348866224   1.7158293125  -0.4810096999
C   -2.8789198254   1.1038572429   1.6133744606
C   -2.5604768196   2.0858349661   0.6948839249
H    1.3416065548  -1.5920894351  -1.2971832568
H    2.8225538395   0.6780356209   2.4049857972
H   -3.6376940515  -2.6340130802   0.2876882972
H    0.8936644779  -4.0673895837  -1.0121928607
H   -2.8193732369  -0.9597113653   2.1313873587
H   -1.1565623075   0.1434576342  -1.6833188070
H    3.1212944640   1.2676373368  -2.9166814272
H   -3.2121057887  -4.9978822163  -0.2412922077
H   -0.9387635312  -5.7150285813  -0.9366060622
H    5.1068213854   2.0057950657   2.3674020404
H    5.5214924573   2.7871924447   0.8354591029
H    4.1926791501   3.4255086795   1.8215982989
*