! 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  -2.8268037693  -2.4798062732   1.1232204871
Cl  -5.2862007951  -0.9512202399   1.0948721823
F    3.1154437660  -2.9821684168  -1.4696282104
F    4.4508836047  -1.7672780086  -2.6895746663
O    1.2854563003   0.5429194867  -1.3888766668
N    1.1026890479   1.2624286622   0.7483283168
N    4.9784247754  -0.3662820522   1.0285653552
N    4.9424943543  -1.1579113589  -0.0340487776
C   -1.5873886227   0.0638097537  -0.4874329105
C   -3.5195109439   1.2707726155  -0.5085707523
C   -1.8708213970   0.2817506227  -1.9992097675
C   -3.1905136300   1.0942414363  -2.0129138974
C   -3.0100708241  -0.0527699791   0.0069074150
C   -1.2625527404   1.4181142541   0.0975786157
C   -2.4500013427   2.1606330304   0.0768226401
C   -0.1069685453   1.9739068751   0.6180755725
C   -2.5099712205   3.4522235685   0.5540772458
C   -3.6216743171  -1.0241264096   0.6520086403
C   -0.1667066258   3.2790649102   1.1178092777
C   -1.3457970751   4.0046560841   1.0866299315
C    1.7463676425   0.6315611988  -0.2594121835
C    3.0532244707   0.0562669020   0.0897350585
C    3.7883395679  -0.9149060998  -0.6202037630
C    3.8766588648   0.3785505205   1.1520686203
C    3.4009741999  -1.6944398870  -1.8267379288
C    6.1363134126  -0.3387937878   1.8974352800
H   -0.9062460847  -0.7489707278  -0.2554848317
H   -4.5458848135   1.5488980121  -0.2853536295
H   -1.9968401151  -0.6813169158  -2.4942258199
H   -1.0464930161   0.7990881110  -2.4831144639
H   -3.0956733771   2.0564535940  -2.5151825033
H   -3.9905077267   0.5411789020  -2.5053030884
H   -3.4340091214   4.0155114381   0.5400470667
H    0.7251431101   3.7224397050   1.5430532109
H   -1.3589554420   5.0094200624   1.4874942335
H    1.5797948730   1.3710631271   1.6300722848
H    3.7700731811   1.0882965072   1.9572615370
H    2.5430077407  -1.2857966047  -2.3527240580
H    5.8435154116  -0.5607658692   2.9203556770
H    6.6118717239   0.6383782606   1.8633213746
H    6.8403745916  -1.0902675867   1.5573459358
*