! 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   1.3905964105  -2.3060528693   1.1447138643
F   -3.2722452875   3.1035971820   1.5467659032
O   -0.0283456296  -0.4523127844  -2.5809317606
N    2.4978354154   1.3336625753  -0.5793724998
N    2.3365803629   2.5119273456   0.0269714303
N    3.6803570882   1.1824625641   1.2371259447
C    0.4767878586   0.2654162548  -1.4719046379
C    0.4514449529  -1.2056882104  -1.4834563402
C    1.7807977861   0.9775040657  -1.7785900984
C   -0.5278283067   1.0160938450  -0.6664427658
C   -0.5556925532  -1.9650504100  -0.7007003348
C   -1.5461829847   1.7209257733  -1.2961459500
C   -0.4484270359   1.0280750222   0.7219524885
C   -0.2146358375  -2.5337602556   0.5216700717
C   -1.8571787193  -2.1359388540  -1.1590725255
C   -2.4788382570   2.4319392190  -0.5550678348
C   -1.3709836651   1.7326654312   1.4783352675
C    3.2894758271   0.5532412690   0.1578472849
C   -1.1239540148  -3.2592131808   1.2723123285
C   -2.7807991801  -2.8604464124  -0.4213797339
C   -2.3711668354   2.4225315998   0.8212971748
C   -2.4144325621  -3.4242268603   0.7917721244
C    3.0629463642   2.3713275419   1.1040717761
H    1.3891503079  -1.7272199554  -1.6719579877
H    1.5893245396   1.8888358042  -2.3432781992
H    2.4211084476   0.3386634176  -2.3868195794
H   -1.6261932640   1.7197398948  -2.3753059090
H    0.3287300109   0.4733283681   1.2328768436
H   -2.1501184518  -1.6985076135  -2.1034455574
H   -3.2751582715   2.9790701056  -1.0417334935
H   -1.3162939337   1.7384544208   2.5586190571
H    3.5757497410  -0.4418553381  -0.1433410480
H   -0.8310273095  -3.6882205766   2.2206361614
H   -3.7872889289  -2.9853066643  -0.7968026198
H   -3.1297378038  -3.9921029788   1.3709470039
H    3.1611627221   3.1676649510   1.8246887127
*