! 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  -5.1057966257   4.7812561524   0.6630010991
O    1.5952779263   1.3450250517   0.1583787096
O    1.0907401643  -2.4895663896   1.6078885365
N    1.9640121286  -0.8755564577   0.2723284012
N    2.4915827379  -3.1357909116  -0.0573486686
N    2.8959088868  -4.6392761386  -1.6133684908
C    1.1693589763   0.2224031352   0.8944697098
C    3.0198083510  -0.3223241534  -0.6186401838
C    2.9481739349   1.1402648619  -0.1724201540
C   -0.3351813206   0.0692360489   0.6934585585
C    1.5103289327   0.4075535873   2.3708413501
C    4.4149607464  -0.8690843450  -0.3540897078
C    2.6638420449  -0.4243053781  -2.0979872926
C   -0.7830416406  -0.1927617278  -0.7364910663
C    1.7927712684  -2.1326468106   0.6818055396
C   -2.3036940442  -0.3284611903  -0.8582613757
C   -3.0349271967   0.9299504463  -0.4852650321
C    3.4430495600  -3.9797316170   0.4605133993
C    2.1900429807  -3.5902103646  -1.3009473974
C   -3.0415373322   2.0252666834  -1.3470741815
C   -3.6865463596   1.0549540066   0.7379882606
C    3.6924953488  -4.8821545255  -0.5249066328
C   -3.6741535895   3.2101152450  -1.0047569612
C   -4.3260021762   2.2324213407   1.1008311942
C   -4.3120650659   3.3028911638   0.2228342671
H    3.6076950455   1.3232488716   0.6848985368
H    3.2293404769   1.8287294898  -0.9685758416
H   -0.7869538729   0.9941711526   1.0636354745
H   -0.7030743894  -0.7214383755   1.3488019507
H    1.1704799534  -0.4287103966   2.9751527230
H    1.0164683818   1.3074632997   2.7387410230
H    2.5829027687   0.5221661030   2.5318818739
H    4.5916105908  -1.8388704109  -0.8149853386
H    4.6260487192  -0.9434399507   0.7131177642
H    5.1423088527  -0.1783744182  -0.7841686698
H    2.6950645020  -1.4475960528  -2.4641032056
H    1.6773725788  -0.0134891117  -2.3100049895
H    3.3924187515   0.1417418698  -2.6795886240
H   -0.4422732008   0.6083695856  -1.3968919261
H   -0.3349807177  -1.1162128899  -1.1127037431
H   -2.6469446493  -1.1546262778  -0.2309632918
H   -2.5448517078  -0.5993052554  -1.8886136384
H    3.8605749687  -3.8450086362   1.4439956739
H    1.4150085431  -3.1465727641  -1.9054687594
H   -2.5454247759   1.9578550961  -2.3080744716
H   -3.6990330539   0.2200989759   1.4281241951
H    4.4022160833  -5.6933216590  -0.5080054223
H   -3.6699797713   4.0475525603  -1.6891681557
H   -4.8267324588   2.3074804837   2.0564795798
*