! 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
Cl  -4.4595334204   1.9448246635   0.8082600142
F   -2.1406645402  -1.7093146939  -1.9616240488
F   -0.0668909567  -1.1625974923  -1.9632468371
F   -0.7864827121  -2.6378560973  -0.5792139800
O    1.1911922905   1.4339310209  -0.9671046182
N    2.9090472875  -1.4360937107   0.5539106678
N    0.7829457970  -0.7473312722   0.9064611589
N    4.8857964678  -2.4161545446   0.4517987914
C    1.8566347609  -0.5498833955   0.2788858161
C    2.1904050123   0.4941511677  -0.7630396412
C    1.3539074487   2.6597633607  -0.2679282079
C   -0.4120164572  -0.0565368995   0.7936555974
C    0.5846597027   3.7501370057  -0.9816403137
C   -1.3836527109  -0.4033487580  -0.1549715782
C   -0.7461549879   0.8767658256   1.7741278772
C   -2.6267825652   0.2152339426  -0.1463532582
C    2.8667395341  -2.4996407991   1.4330387405
C   -0.9204534876   3.5365031766  -1.0203241708
C    4.1576157457  -1.4444759688  -0.0046657587
C   -1.0973249232  -1.4724605278  -1.1619248334
C   -1.9833403110   1.4913657982   1.7866503471
C   -2.9152155737   1.1627226818   0.8174078719
C    4.0872752381  -3.0796548163   1.3547737200
H    2.3806908332  -0.0297644917  -1.7055557534
H    3.1369721697   0.9694203809  -0.4778712379
H    2.4161459519   2.9280097333  -0.2302213127
H    1.0082055352   2.5632337249   0.7685206940
H    0.8073202075   4.6877226262  -0.4662013998
H    0.9789776879   3.8594069433  -1.9957573119
H   -0.0246060564   1.1173071671   2.5430384945
H   -3.3760410667  -0.0386018430  -0.8827395832
H    1.9943154989  -2.7341208138   2.0154675808
H   -1.3420644402   3.5163617211  -0.0153031176
H   -1.4106130023   4.3440479165  -1.5653022528
H   -1.1900166833   2.5998743969  -1.5083253671
H    4.4793976980  -0.7273883731  -0.7415643561
H   -2.2123778590   2.2209529699   2.5512240663
H    4.4398973852  -3.9421133805   1.8967049774
*