! 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   -2.0291425389  -1.4936121231  -1.3611231897
F   -3.6997167774  -2.1029126339  -0.1460682571
F   -4.0362148351  -1.1504812164  -2.0378310440
O    4.8322282617   0.2335681240  -0.4072946323
O   -1.2930897381  -1.3691235559   1.5125335573
N    0.1371217059   0.1160927433   0.5316147561
C    4.7427768411   1.5032997910  -1.0667353607
C   -2.2002096444   0.5967634191   0.5499624462
C    1.3923800061  -0.4860793867   0.6889593052
C    3.7480023905  -0.3289405121   0.1630426825
C   -3.2523680616   0.2079606350  -0.2837849912
C    2.4602069350   0.1847457854   0.0842748519
C   -1.0786962966  -0.3338236543   0.9070889125
C    4.6916325424   2.6342135300  -0.0559079022
C    5.9587220978   1.5997803701  -1.9639663180
C    1.6111438676  -1.6704685202   1.3844414266
C    3.9720373040  -1.5212699900   0.8558496698
C   -2.2270555430   1.8532999470   1.1412528790
C   -4.3140048060   1.0744643771  -0.5037830085
C    2.9078951681  -2.1677732547   1.4510356505
C   -3.2537555403  -1.1342279348  -0.9544358413
C   -3.2975263340   2.7101408562   0.9293208116
C   -4.3413785986   2.3188487640   0.1088591669
H    3.8477136586   1.5236193084  -1.6974203596
H    2.2549437319   1.1046136590  -0.4478893431
H    0.1419236283   0.9770161932   0.0035505049
H    5.5949092434   2.6478252217   0.5560935735
H    4.6246021308   3.5898634507  -0.5762103667
H    3.8312572172   2.5666870390   0.6103247270
H    5.9346326092   2.5398561518  -2.5145822710
H    5.9815567445   0.7893673368  -2.6927499980
H    6.8839408862   1.5739532303  -1.3860074706
H    0.8103054419  -2.2055563538   1.8646082356
H    4.9728922373  -1.9279379025   0.9178459706
H   -1.4181997164   2.1598936294   1.7916909816
H   -5.1311081702   0.7940708221  -1.1535076784
H    3.0847922850  -3.0905119345   1.9876569842
H   -3.3112399921   3.6803808271   1.4062867439
H   -5.1783016428   2.9804613350  -0.0652738917
*