! 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  -5.2093189920  -0.8954008951  -0.4441908290
O    3.1360812820   1.5474775005   0.6729785070
O    2.0658498888  -1.9059581521  -1.8916354423
N    2.5312842040  -0.4364839455  -0.2230486025
N    0.5640467591  -1.7219324421  -0.2023263756
N   -0.8132164775  -2.7098311302   1.2023751005
C    2.0820539280   0.6151501105   0.7525660772
C    3.8993600478  -0.1362483358  -0.7098241628
C    4.3203319415   0.8440331631   0.3783305649
C    0.8109369226   1.3115872597   0.2800505494
C    1.9757590421   0.0967218067   2.1839445942
C    4.8122782905  -1.3522445220  -0.7137290689
C    3.8878018034   0.5590537259  -2.0694280466
C    0.3574937016   2.4706182173   1.1595464941
C    1.7830384971  -1.3521919894  -0.8474347576
C   -0.8799183539   3.1635298863   0.5770972976
C   -2.0068306234   2.2024699603   0.3178556157
C   -0.6857147591  -1.6537940631  -0.7734787246
C    0.4262914119  -2.3798959825   0.9788904069
C   -2.6813565630   1.5943257169   1.3748314114
C   -2.3603676132   1.8427158503  -0.9787801923
C   -1.5179912993  -2.2456128693   0.1218388386
C   -3.6684397832   0.6478278278   1.1507826137
C   -3.3503568755   0.9016947600  -1.2257124468
C   -3.9927044738   0.3095187272  -0.1534138549
H    4.7102659899   0.3199079574   1.2598179418
H    5.0775417579   1.5495374878   0.0384421015
H   -0.0015177984   0.5878062968   0.2438150440
H    0.9685294054   1.6601181170  -0.7458775092
H    2.7822683451  -0.5924282590   2.4329801516
H    1.0301881955  -0.4051795217   2.3754700871
H    2.0343577744   0.9370924167   2.8749811094
H    4.5909576733  -2.0393270690  -1.5271761708
H    4.7551270341  -1.8983731061   0.2280319894
H    5.8438365732  -1.0189392644  -0.8397759434
H    3.2786990455   1.4635606882  -2.0546161233
H    4.9051901116   0.8488501624  -2.3356389028
H    3.5140897536  -0.0907565977  -2.8574708106
H    0.1209785034   2.1084719109   2.1632166411
H    1.1497654612   3.2129043356   1.2731257865
H   -0.6088214326   3.6658197394  -0.3542043203
H   -1.2034916887   3.9428780995   1.2709379712
H   -0.8620451561  -1.1728241167  -1.7205917992
H    1.2698820419  -2.6252242906   1.6039446361
H   -2.4313424483   1.8540614651   2.3968067328
H   -1.8506579509   2.2978072622  -1.8193871254
H   -2.5867042540  -2.3637760811   0.0468165672
H   -4.1763845371   0.1817248095   1.9841688532
H   -3.6062265840   0.6339998230  -2.2419560113
*