! 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  -5.2925568758  -0.7814635325  -0.0930592573
O    3.1316138876   1.3401154412   0.9511995977
O    2.6230221140  -2.4657911995  -1.2996544457
N    2.5309059205  -0.4260503006  -0.3146950378
N    0.6945271127  -1.8951137727  -0.2405026786
N   -0.9492723033  -2.9705018124   0.7525234330
C    1.9957884991   0.5498788696   0.6873677113
C    3.8741637768  -0.0053328658  -0.7801012183
C    3.8828914094   1.4211417577  -0.2376088740
C    0.8751008215   1.3913882700   0.0751086865
C    1.5931516627  -0.0890153179   2.0074869403
C    4.9746125372  -0.8318823996  -0.1189638703
C    4.0136753655   0.0057472363  -2.2946111692
C    0.4131848043   2.5558381865   0.9408616253
C    2.0375570452  -1.6164213743  -0.6577261562
C   -0.8274495571   3.2343419836   0.3499803261
C   -1.9862900870   2.2840338100   0.2267844211
C   -0.4644709984  -1.4828892569  -0.8552535093
C    0.3420259582  -2.8044338825   0.7031095447
C   -2.6280289509   1.8007454094   1.3654470449
C   -2.4045000190   1.8086462788  -1.0123400356
C   -1.4621687029  -2.1523097624  -0.2189491524
C   -3.6478817220   0.8666347161   1.2779308190
C   -3.4259644600   0.8755754726  -1.1229650120
C   -4.0362902121   0.4102586151   0.0283476710
H    4.8867237449   1.7715275966  -0.0003535929
H    3.4355064735   2.1232300193  -0.9516374745
H    0.0238514922   0.7363377072  -0.1024584753
H    1.1819884307   1.7661782816  -0.9060479821
H    0.5847492648  -0.4952580702   1.9848573688
H    1.6116980222   0.6661765949   2.7924543198
H    2.2877888209  -0.8781740877   2.2951939995
H    4.9356173418  -1.8757053414  -0.4232594337
H    4.9068635284  -0.7890111164   0.9687332044
H    5.9501248535  -0.4394089843  -0.4085880539
H    3.1594761918   0.4885578822  -2.7704000872
H    4.9053514981   0.5750171999  -2.5624228972
H    4.1264606735  -0.9916633497  -2.7117937057
H    0.1752634132   2.2132999804   1.9512237239
H    1.2068158595   3.2981646908   1.0431933771
H   -0.5860107818   3.6486603896  -0.6317064569
H   -1.1032780680   4.0783864745   0.9862826126
H   -0.4699082302  -0.7945918660  -1.6831977745
H    1.0706220614  -3.2964787966   1.3281720758
H   -2.3261465357   2.1519581174   2.3451405869
H   -1.9207798634   2.1634108411  -1.9143679281
H   -2.5205053203  -2.0955460444  -0.4141768453
H   -4.1315324217   0.5012554808   2.1737083649
H   -3.7316952098   0.5141205433  -2.0954212368
*