! 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   5.2646977855  -3.1275311428   0.5990735213
O   -1.8915256108   1.4754476211  -1.6880152534
N   -0.9163276597   2.5402631744   0.8742291537
N   -0.4844960515   3.3552555851  -0.0966380104
N    0.9730872069   3.3355259050   1.6023023878
C   -1.9400717152   0.7469330329  -0.4784546762
C   -3.1278133721  -0.2347139772  -0.5949415380
C   -0.6954221005  -0.1765902087  -0.2293017942
C   -2.6838897600  -1.4576646790   0.1984612932
C   -1.2345304231  -1.6117495892  -0.2430070968
C   -4.5454304116   0.3062887918  -0.3415476106
C   -2.0965628712   1.7188425397   0.7008742125
C    0.4766550830   0.0602210423  -1.1829728868
C   -5.0032808928   0.2344763491   1.1135670903
C   -5.5468974763  -0.4429222088  -1.2185098511
C    1.6833668029  -0.7323450293  -0.7686191840
C   -0.0318026351   2.5311743353   1.8688464799
C    1.9882680710  -1.9580195761  -1.3523231309
C    2.5131304802  -0.2647241432   0.2484983762
C    3.0848315305  -2.7017424390  -0.9387513019
C    3.6132123416  -0.9909356356   0.6765615879
C    0.6487638638   3.8040407382   0.3857187469
C    3.8888732100  -2.2096036244   0.0758996423
H   -3.0975990634  -0.5400662630  -1.6488726382
H   -0.3304267704   0.0123537352   0.7867139925
H   -3.2921390412  -2.3397247492  -0.0068798063
H   -2.7336541075  -1.2743205530   1.2761238173
H   -0.6542043483  -2.2784283215   0.3954075390
H   -1.2024802332  -2.0248822841  -1.2561560621
H   -4.5680519163   1.3560827982  -0.6562748222
H   -2.2312235143   1.1764821728   1.6343797487
H   -2.9563756412   2.3749494398   0.5631604834
H    0.7462255239   1.1197048736  -1.1984223018
H    0.1881659327  -0.2071258366  -2.2016330822
H   -1.3006452294   2.2352754911  -1.5758450559
H   -4.3335005582   0.7369941252   1.8107776506
H   -5.1027404886  -0.8004974875   1.4469158238
H   -5.9830368568   0.7026904924   1.2225447995
H   -6.5631462023  -0.0778787571  -1.0596654021
H   -5.5454124170  -1.5127287724  -0.9966572047
H   -5.3160323937  -0.3248583575  -2.2785249063
H   -0.1651282145   1.9442512347   2.7638010307
H    1.3655968315  -2.3460880116  -2.1490007900
H    2.3046088460   0.6912474766   0.7158370379
H    3.3061962748  -3.6513964613  -1.4065518099
H    4.2464906603  -0.6073516373   1.4649042685
H    1.2596382362   4.5019985547  -0.1647587499
*