! 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  -5.2679464297   1.3122031027  -0.4844782309
F   -1.0156563117  -2.8787195691   0.3405737027
F   -0.2607892750  -1.3484203579   1.6509013005
F   -2.2504088678  -2.1117838797   1.9192089058
O    2.2373776766   1.3080194397   0.8347369096
N    2.5005255402  -0.7188060058  -1.0645709404
N    0.2337798111  -0.7100971268  -1.1035238322
N    4.6503265988  -1.0423542063  -1.4407772009
C    1.2881167176  -0.0677700088  -0.8305989186
C    1.3800033780   1.3264496959  -0.2728095840
C    2.4936228625   2.6070051815   1.3377932212
C   -1.0353056845  -0.1775344185  -0.9154444839
C    3.5203624931   2.5249800445   2.4459692622
C   -1.8776851706  -0.7033498666   0.0708504821
C   -1.5278539524   0.8135880223  -1.7596477441
C   -3.1778427566  -0.2394566054   0.2054697816
C    2.6554764977  -2.0673780305  -1.3187111987
C    3.7923374970   3.8984323611   3.0408974548
C    3.7456041216  -0.1590071032  -1.1535241660
C   -1.3540087207  -1.7609394150   0.9932828834
C   -2.8250712601   1.2774629230  -1.6316343606
C   -3.6427927925   0.7447672809  -0.6498219112
C    3.9794884001  -2.2406915707  -1.5384169221
H    0.3785353989   1.6769415733  -0.0012686189
H    1.7431658381   1.9990107425  -1.0639413747
H    1.5643023676   3.0573632094   1.7114428345
H    2.8624084053   3.2566131152   0.5322792477
H    3.1653782781   1.8475541924   3.2266291668
H    4.4472817398   2.1014588231   2.0511702464
H   -0.8906316723   1.2184337471  -2.5348822760
H   -3.8324154578  -0.6357623476   0.9685546799
H    1.8291661938  -2.7553527115  -1.3005834785
H    2.8927963962   4.3256170899   3.4870359891
H    4.5512186081   3.8444346345   3.8209302921
H    4.1500474595   4.5985102601   2.2839569204
H    3.9310122710   0.8937388106  -1.0232692003
H   -3.1871475367   2.0502897897  -2.2953399042
H    4.4935600019  -3.1619708497  -1.7597384240
*