! 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   5.0032866675   2.8957561006   1.1416967093
O   -2.7559834035  -1.3239864313   1.1756317932
N   -0.9302549345  -2.7592351998  -0.6329415016
N   -0.8429799309  -3.2778948338   0.5968682653
N    0.9118486552  -3.9169061906  -0.6362900556
C   -2.2705947425  -0.7612902560  -0.0312375928
C   -3.3465049844   0.2684522974  -0.5233293319
C   -1.0260662150   0.0903083271   0.3131034494
C   -2.8759294126   1.6165160694   0.0911964759
C   -1.6692825641   1.3075014336   0.9783983995
C   -2.0246519953  -1.8924659725  -1.0337866875
C   -0.1381165335   0.4974896229  -0.8747173095
C   -4.7529415814  -0.0916248804  -0.0423760710
C   -3.4082302625   0.3849941571  -2.0499053531
C    1.1533162360   1.1034183383  -0.4040711052
C    0.1237931134  -3.1436726575  -1.3486797823
C    2.1517274339   0.2968343329   0.1394759546
C    1.3774103625   2.4749256688  -0.4638915364
C    3.3362294788   0.8359333646   0.6151158205
C    2.5567807727   3.0359515887   0.0071104607
C    0.2760919047  -3.9571467729   0.5459286236
C    3.5265271959   2.2080920981   0.5463303637
H   -0.3964185713  -0.4617369394   1.0188707952
H   -3.6768833228   2.1074786517   0.6468099695
H   -2.5887645338   2.3090389959  -0.7043755383
H   -0.9861098018   2.1540543714   1.0684281603
H   -1.9872740786   1.0535505406   1.9900327458
H   -1.7667879813  -1.5219490424  -2.0222108075
H   -2.9301479301  -2.4935420293  -1.1403901264
H   -0.6523711445   1.2096484904  -1.5219408333
H    0.0948372191  -0.3673017409  -1.4991983254
H   -4.8548404337  -0.0395794107   1.0403587998
H   -5.4700221964   0.6136796415  -0.4671432287
H   -5.0563820324  -1.0904668463  -0.3635421881
H   -3.8098565614  -0.5153571097  -2.5195425033
H   -4.0726182829   1.2071533956  -2.3213045774
H   -2.4419750955   0.5965728821  -2.5088119971
H   -2.1194966845  -1.9989354549   1.4573965270
H    0.2713502449  -2.8534117941  -2.3769515743
H    2.0086842673  -0.7769564289   0.1927963880
H    0.6225373078   3.1254945073  -0.8883410532
H    4.0996410085   0.1927511909   1.0310864439
H    2.7111128281   4.1049007876  -0.0490410218
H    0.6409949594  -4.5075347315   1.3985822349
*