! 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   5.1496565500  -0.9994713710  -0.6895345550
N   -3.7904267924   0.7541762341   0.2144396272
N   -4.5759584821  -0.2012020438  -0.2904060551
N   -5.5008370868   0.6831477724   1.5537563395
N   -1.8995660423  -2.2685475017  -0.5063964317
C   -1.3258933203   0.2251173160   0.0283843928
C   -1.0728507938   0.3253380015   1.5515860708
C   -2.5331358917   1.1084131460  -0.3897453146
C   -0.1379054369   0.7112664608  -0.8044739107
C   -0.1421584294  -0.7286803967   2.1553491473
C    1.2084869720  -0.8265212486   1.5043197675
C   -1.6408068693  -1.1680725097  -0.2901483123
C    0.5063429714  -0.0911074103  -1.7373002266
C    0.2925468399   2.0273957688  -0.6462436630
C    1.5969532364  -1.9779653832   0.8306343985
C    2.0860679105   0.2547509252   1.5230947786
C    1.5650362280   0.4047117626  -2.4861598272
C    1.3423095434   2.5256288075  -1.4005811931
C   -4.3536507813   1.2657048427   1.3115268275
C    1.9857685045   1.7144903054  -2.3243125892
C    2.8126474548  -2.0486957548   0.1642361961
C    3.2981621730   0.2086073981   0.8579704412
C   -5.5807171827  -0.2052335176   0.5448874723
C    3.6462739977  -0.9456222300   0.1739108536
H   -2.0266479682   0.2444808592   2.0760814934
H   -0.6947110340   1.3279139300   1.7587311173
H   -2.3174331622   2.1392672904  -0.1150252792
H   -2.6540219047   1.0749248041  -1.4707019036
H   -0.6301601914  -1.7050419378   2.1317559611
H   -0.0294793738  -0.4772705931   3.2128906210
H    0.2021706380  -1.1181502984  -1.8886423247
H   -0.1786695495   2.6810576762   0.0772947855
H    0.9348330311  -2.8347078018   0.8022818614
H    1.8140378416   1.1621206571   2.0477640733
H    2.0590031472  -0.2420541429  -3.1987168242
H    1.6592870317   3.5506447896  -1.2606623654
H   -3.9075143617   2.0661373421   1.8806990961
H    2.8087004316   2.1007175050  -2.9112503258
H    3.0923648493  -2.9489507779  -0.3656780123
H    3.9578242200   1.0648786435   0.8669567205
H   -6.4172034407  -0.8735846088   0.4152760539
*