! 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   5.2671934824   3.2109229802  -0.7354167879
O   -2.0071048004  -1.1945672519   1.4535352519
N   -0.7220394390  -2.7765459105  -0.5233834805
N    0.3815542070  -2.6276453506  -1.2624342889
N    0.7535728331  -4.0730612290   0.4113273950
C   -1.9586969056  -0.7224940893   0.1217606909
C   -3.1935311997   0.1288181438  -0.2470828007
C   -0.7537617045   0.2394079392  -0.1365016993
C   -2.8041125353   1.5210386225   0.2411980956
C   -1.3614385366   1.6583292974  -0.2338653126
C   -4.5718927845  -0.4016287441   0.1845163687
C   -1.9055981092  -1.9751252357  -0.7471319134
C    0.3579224355   0.1347672910   0.9158778909
C   -4.9812169036  -0.0293356619   1.6070080019
C   -5.6405255732   0.0873832885  -0.7908134183
C    1.5841028642   0.9069050745   0.5169692246
C   -0.4814627357  -3.6312318666   0.4695655337
C    1.8942022083   2.1319451351   1.0991709757
C    2.4423514949   0.4109109457  -0.4633797694
C    3.0209270444   2.8494716450   0.7202145056
C    3.5733717280   1.1091506419  -0.8541719431
C    1.2318873664  -3.4233562761  -0.6656660505
C    3.8525261833   2.3289752221  -0.2562331314
H   -3.1954373765   0.1777681173  -1.3445711854
H   -0.3144908618  -0.0222343146  -1.1017016379
H   -2.8566746819   1.5835091246   1.3330855767
H   -3.4547959142   2.3058042214  -0.1471200939
H   -1.3465336006   2.0014408993  -1.2696191549
H   -0.8021784276   2.3936880450   0.3462691553
H   -4.5540063598  -1.4954985555   0.1213299762
H   -1.9208053589  -1.7030919365  -1.8003723310
H   -2.7754933142  -2.6059575154  -0.5580233914
H    0.6365374984  -0.9096745743   1.0729256391
H    0.0036369988   0.5094965027   1.8800024975
H   -2.0254788193  -0.4480531514   2.0611782871
H   -5.9354070454  -0.4975178346   1.8554264325
H   -4.2627842797  -0.3521886837   2.3585903596
H   -5.1167638160   1.0484416061   1.7174697033
H   -5.6946291159   1.1786669097  -0.8054739018
H   -6.6286467065  -0.2835265324  -0.5124443391
H   -5.4383614144  -0.2471047952  -1.8096759902
H   -1.2272870308  -3.9196763807   1.1919859082
H    1.2523520054   2.5395615651   1.8705373675
H    2.2274670838  -0.5431416865  -0.9304389769
H    3.2432310573   3.7993762752   1.1870056572
H    4.2292257119   0.7026022029  -1.6118749887
H    2.2409183229  -3.5438975887  -1.0277494588
*