! 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   4.9681400845   4.6538081056  -0.6120633071
O   -1.2152355042  -1.2112649836   1.5496035163
N   -1.2371384982  -3.4516157210  -0.2777586329
N   -2.0487511199  -3.8042293416  -1.2801188272
N   -2.5094847950  -5.0077880143   0.5551897316
C   -0.9369777872  -1.0314880419   0.1771667024
C   -2.2445211110  -0.6203026868  -0.5686905216
C    0.0407604509   0.1457775687  -0.0614690747
C   -2.0132710484   0.8335130296  -1.0333652117
C   -0.8760076478   1.3576949505  -0.1680003728
C   -3.5593887006  -0.8365187892   0.2071188636
C   -0.3374991378  -2.3260907319  -0.3872900538
C    1.1639339757   0.2640059089   0.9692620960
C   -3.8676205564   0.2289816349   1.2571825961
C   -4.7212351466  -0.9320994714  -0.7786154662
C    2.1351304952   1.3498889149   0.6047659225
C   -1.5324180252  -4.1684134677   0.8063788499
C    3.1611063174   1.1126499858  -0.3065689571
C    2.0081574561   2.6315291923   1.1328334423
C    4.0364102976   2.1191676477  -0.6859502131
C    2.8717843025   3.6530152565   0.7655778285
C   -2.7874547615  -4.7347011344  -0.7331056763
C    3.8809508453   3.3858169048  -0.1451460770
H   -2.3199850299  -1.2520648334  -1.4566944687
H    0.5009911111  -0.0080140782  -1.0462766413
H   -2.9125065505   1.4485003246  -0.9791427911
H   -1.6985873602   0.8415301624  -2.0795435135
H   -0.3795407804   2.2289783217  -0.5971933744
H   -1.2390562858   1.6446658477   0.8239239084
H   -3.4976992545  -1.8022235340   0.7179961863
H    0.5876868081  -2.5818010460   0.1353480351
H   -0.0872955471  -2.2075569485  -1.4394954107
H    1.7030332743  -0.6854315412   1.0472887562
H    0.7445961567   0.4760875697   1.9555425682
H   -0.4018336306  -1.4576309413   2.0045234351
H   -4.0937268816   1.1947294659   0.8000512896
H   -4.7492023475  -0.0570206868   1.8346657874
H   -3.0515586219   0.3780825834   1.9608891222
H   -5.6694686506  -1.0752983952  -0.2566202751
H   -4.5922871591  -1.7731799704  -1.4626065201
H   -4.8167147638  -0.0244166490  -1.3799633964
H   -1.0034188379  -4.0709677172   1.7403604685
H    3.2875746390   0.1231392984  -0.7295255730
H    1.2215947389   2.8424654497   1.8471227559
H    4.8291588212   1.9144043062  -1.3926388407
H    2.7559698876   4.6420923860   1.1874022115
H   -3.5524991682  -5.2484732980  -1.2938594889
*