! 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   5.0118016058   3.4038792673  -0.5398993368
O   -2.0194504201  -1.3726495908   1.3667450821
N   -0.6334790514  -2.9280152118  -0.6518031224
N    0.4715567065  -2.7364652758  -1.3793551823
N    0.8837825474  -4.1617323264   0.3023932749
C   -1.9801334749  -0.9437574333   0.0237629099
C   -3.2509502940  -0.1509034296  -0.4423936307
C   -0.7839012000   0.0318357387  -0.1464111214
C   -2.7025103297   1.1736574744  -0.9973007412
C   -1.4100943258   1.4203817685  -0.2340119838
C   -4.3603396261   0.0241016552   0.6126755991
C   -1.8437117198  -2.1730582750  -0.8865137645
C    0.3176866976  -0.0823649549   0.9102739405
C   -4.0470245985   1.0131615509   1.7313711082
C   -5.6637252750   0.4250221718  -0.0750598385
C    1.4965942324   0.7848493146   0.5675268816
C   -0.3683897969  -3.7689705983   0.3469720324
C    2.3981796423   0.3950132175  -0.4212365209
C    1.7086899652   2.0041698656   1.2035441301
C    3.4783721750   1.1908873495  -0.7687130447
C    2.7839071661   2.8168570399   0.8708742546
C    1.3474900524  -3.4943605012  -0.7699686921
C    3.6612110374   2.4005693756  -0.1161469732
H   -3.7176448449  -0.7133428050  -1.2585798331
H   -0.3323816373  -0.1775186457  -1.1223784392
H   -3.4141835683   1.9974374283  -0.9160997368
H   -2.4778545232   1.0641775952  -2.0614767480
H   -0.7570868360   2.1387606747  -0.7316000233
H   -1.6141676107   1.8111391464   0.7665328662
H   -4.5508618236  -0.9531127044   1.0720862452
H   -1.8438203134  -1.8774235027  -1.9342691721
H   -2.6945691450  -2.8422048992  -0.7400689566
H    0.6566135979  -1.1164088688   1.0063855353
H   -0.0736491573   0.2108196486   1.8860111497
H   -2.8126016098  -1.9020127097   1.5049742312
H   -3.9446760052   2.0316798704   1.3509658214
H   -4.8630069707   1.0275145130   2.4565158382
H   -3.1355581965   0.7640518811   2.2720098934
H   -5.9614651656  -0.3058461958  -0.8290364651
H   -5.5790543861   1.3949023851  -0.5701794559
H   -6.4773601201   0.5015888833   0.6483718318
H   -1.1089664439  -4.0877639227   1.0621004840
H    2.2578754921  -0.5504120787  -0.9323745917
H    1.0263611289   2.3326237478   1.9780464142
H    4.1689086281   0.8682088881  -1.5360109189
H    2.9315291583   3.7596257198   1.3799372021
H    2.3640135882  -3.5755808177  -1.1221618418
*